728552 preconverted assays (of 1251890 in PubChem, but that includes many retired entries) are currently available for download.
AID column links lead to PubChem documentation, links on the right are for direct data file download.
This listing page contains references for AIDs 1 to 10000.
AID SID count Description KNIME Table CACTVS Table
1 42490 Growth inhibition of the NCI-H23 human Non-Small Cell Lung tumor cell line is measured as a screen for anti-cancer activity. Cells are grown in 96 well plates and exposed to the test compound for 48 hours. Compounds are tested at 5 different concentrations and three endpoints are estimated from this dose response curve: GI50, concentration required for 50% inhibition of growth, TGI, the concentration requires for complete inhibition of growth, and LC50, the concentration required for 50% reductio... aid1.table aid1.tbin
3 39148 Growth inhibition of the NCI-H226 human Non-Small Cell Lung tumor cell line is measured as a screen for anti-cancer activity. Cells are grown in 96 well plates and exposed to the test compound for 48 hours. Compounds are tested at 5 different concentrations and three endpoints are estimated from this dose response curve: GI50, concentration required for 50% inhibition of growth, TGI, the concentration requires for complete inhibition of growth, and LC50, the concentration required for 50% reducti... aid3.table aid3.tbin
5 41160 Growth inhibition of the NCI-H322M human Non-Small Cell Lung tumor cell line is measured as a screen for anti-cancer activity. Cells are grown in 96 well plates and exposed to the test compound for 48 hours. Compounds are tested at 5 different concentrations and three endpoints are estimated from this dose response curve: GI50, concentration required for 50% inhibition of growth, TGI, the concentration requires for complete inhibition of growth, and LC50, the concentration required for 50% reduct... aid5.table aid5.tbin
7 41166 Growth inhibition of the NCI-H460 human Non-Small Cell Lung tumor cell line is measured as a screen for anti-cancer activity. Cells are grown in 96 well plates and exposed to the test compound for 48 hours. Compounds are tested at 5 different concentrations and three endpoints are estimated from this dose response curve: GI50, concentration required for 50% inhibition of growth, TGI, the concentration requires for complete inhibition of growth, and LC50, the concentration required for 50% reducti... aid7.table aid7.tbin
9 41173 Growth inhibition of the HOP-62 human Non-Small Cell Lung tumor cell line is measured as a screen for anti-cancer activity. Cells are grown in 96 well plates and exposed to the test compound for 48 hours. Compounds are tested at 5 different concentrations and three endpoints are estimated from this dose response curve: GI50, concentration required for 50% inhibition of growth, TGI, the concentration requires for complete inhibition of growth, and LC50, the concentration required for 50% reduction... aid9.table aid9.tbin
11 11811 Growth inhibition of the HOP-18 human Non-Small Cell Lung tumor cell line is measured as a screen for anti-cancer activity. Cells are grown in 96 well plates and exposed to the test compound for 48 hours. Compounds are tested at 5 different concentrations and three endpoints are estimated from this dose response curve: GI50, concentration required for 50% inhibition of growth, TGI, the concentration requires for complete inhibition of growth, and LC50, the concentration required for 50% reduction... aid11.table aid11.tbin
13 37537 Growth inhibition of the HOP-92 human Non-Small Cell Lung tumor cell line is measured as a screen for anti-cancer activity. Cells are grown in 96 well plates and exposed to the test compound for 48 hours. Compounds are tested at 5 different concentrations and three endpoints are estimated from this dose response curve: GI50, concentration required for 50% inhibition of growth, TGI, the concentration requires for complete inhibition of growth, and LC50, the concentration required for 50% reduction... aid13.table aid13.tbin
15 38588 Growth inhibition of the NCI-H522 human Non-Small Cell Lung tumor cell line is measured as a screen for anti-cancer activity. Cells are grown in 96 well plates and exposed to the test compound for 48 hours. Compounds are tested at 5 different concentrations and three endpoints are estimated from this dose response curve: GI50, concentration required for 50% inhibition of growth, TGI, the concentration requires for complete inhibition of growth, and LC50, the concentration required for 50% reducti... aid15.table aid15.tbin
17 14224 Growth inhibition of the LXFL 529 human Non-Small Cell Lung tumor cell line is measured as a screen for anti-cancer activity. Cells are grown in 96 well plates and exposed to the test compound for 48 hours. Compounds are tested at 5 different concentrations and three endpoints are estimated from this dose response curve: GI50, concentration required for 50% inhibition of growth, TGI, the concentration requires for complete inhibition of growth, and LC50, the concentration required for 50% reducti... aid17.table aid17.tbin
19 42765 Growth inhibition of the A549/ATCC human Non-Small Cell Lung tumor cell line is measured as a screen for anti-cancer activity. Cells are grown in 96 well plates and exposed to the test compound for 48 hours. Compounds are tested at 5 different concentrations and three endpoints are estimated from this dose response curve: GI50, concentration required for 50% inhibition of growth, TGI, the concentration requires for complete inhibition of growth, and LC50, the concentration required for 50% reduct... aid19.table aid19.tbin
21 41485 Growth inhibition of the EKVX human Non-Small Cell Lung tumor cell line is measured as a screen for anti-cancer activity. Cells are grown in 96 well plates and exposed to the test compound for 48 hours. Compounds are tested at 5 different concentrations and three endpoints are estimated from this dose response curve: GI50, concentration required for 50% inhibition of growth, TGI, the concentration requires for complete inhibition of growth, and LC50, the concentration required for 50% reduction i... aid21.table aid21.tbin
23 39737 Growth inhibition of the LOX IMVI human Melanoma tumor cell line is measured as a screen for anti-cancer activity. Cells are grown in 96 well plates and exposed to the test compound for 48 hours. Compounds are tested at 5 different concentrations and three endpoints are estimated from this dose response curve: GI50, concentration required for 50% inhibition of growth, TGI, the concentration requires for complete inhibition of growth, and LC50, the concentration required for 50% reduction in cell ... aid23.table aid23.tbin
25 41760 Growth inhibition of the M14 human Melanoma tumor cell line is measured as a screen for anti-cancer activity. Cells are grown in 96 well plates and exposed to the test compound for 48 hours. Compounds are tested at 5 different concentrations and three endpoints are estimated from this dose response curve: GI50, concentration required for 50% inhibition of growth, TGI, the concentration requires for complete inhibition of growth, and LC50, the concentration required for 50% reduction in cell numbe... aid25.table aid25.tbin
27 15457 Growth inhibition of the M19-MEL human Melanoma tumor cell line is measured as a screen for anti-cancer activity. Cells are grown in 96 well plates and exposed to the test compound for 48 hours. Compounds are tested at 5 different concentrations and three endpoints are estimated from this dose response curve: GI50, concentration required for 50% inhibition of growth, TGI, the concentration requires for complete inhibition of growth, and LC50, the concentration required for 50% reduction in cell n... aid27.table aid27.tbin
29 39817 Growth inhibition of the MALME-3M human Melanoma tumor cell line is measured as a screen for anti-cancer activity. Cells are grown in 96 well plates and exposed to the test compound for 48 hours. Compounds are tested at 5 different concentrations and three endpoints are estimated from this dose response curve: GI50, concentration required for 50% inhibition of growth, TGI, the concentration requires for complete inhibition of growth, and LC50, the concentration required for 50% reduction in cell ... aid29.table aid29.tbin
31 41599 Growth inhibition of the UACC-62 human Melanoma tumor cell line is measured as a screen for anti-cancer activity. Cells are grown in 96 well plates and exposed to the test compound for 48 hours. Compounds are tested at 5 different concentrations and three endpoints are estimated from this dose response curve: GI50, concentration required for 50% inhibition of growth, TGI, the concentration requires for complete inhibition of growth, and LC50, the concentration required for 50% reduction in cell n... aid31.table aid31.tbin
33 42187 Growth inhibition of the UACC-257 human Melanoma tumor cell line is measured as a screen for anti-cancer activity. Cells are grown in 96 well plates and exposed to the test compound for 48 hours. Compounds are tested at 5 different concentrations and three endpoints are estimated from this dose response curve: GI50, concentration required for 50% inhibition of growth, TGI, the concentration requires for complete inhibition of growth, and LC50, the concentration required for 50% reduction in cell ... aid33.table aid33.tbin
35 39770 Growth inhibition of the SK-MEL-2 human Melanoma tumor cell line is measured as a screen for anti-cancer activity. Cells are grown in 96 well plates and exposed to the test compound for 48 hours. Compounds are tested at 5 different concentrations and three endpoints are estimated from this dose response curve: GI50, concentration required for 50% inhibition of growth, TGI, the concentration requires for complete inhibition of growth, and LC50, the concentration required for 50% reduction in cell ... aid35.table aid35.tbin
37 41516 Growth inhibition of the SK-MEL-5 human Melanoma tumor cell line is measured as a screen for anti-cancer activity. Cells are grown in 96 well plates and exposed to the test compound for 48 hours. Compounds are tested at 5 different concentrations and three endpoints are estimated from this dose response curve: GI50, concentration required for 50% inhibition of growth, TGI, the concentration requires for complete inhibition of growth, and LC50, the concentration required for 50% reduction in cell ... aid37.table aid37.tbin
39 41903 Growth inhibition of the SK-MEL-28 human Melanoma tumor cell line is measured as a screen for anti-cancer activity. Cells are grown in 96 well plates and exposed to the test compound for 48 hours. Compounds are tested at 5 different concentrations and three endpoints are estimated from this dose response curve: GI50, concentration required for 50% inhibition of growth, TGI, the concentration requires for complete inhibition of growth, and LC50, the concentration required for 50% reduction in cell... aid39.table aid39.tbin
41 28694 Growth inhibition of the PC-3 human Prostate tumor cell line is measured as a screen for anti-cancer activity. Cells are grown in 96 well plates and exposed to the test compound for 48 hours. Compounds are tested at 5 different concentrations and three endpoints are estimated from this dose response curve: GI50, concentration required for 50% inhibition of growth, TGI, the concentration requires for complete inhibition of growth, and LC50, the concentration required for 50% reduction in cell numb... aid41.table aid41.tbin
43 28594 Growth inhibition of the DU-145 human Prostate tumor cell line is measured as a screen for anti-cancer activity. Cells are grown in 96 well plates and exposed to the test compound for 48 hours. Compounds are tested at 5 different concentrations and three endpoints are estimated from this dose response curve: GI50, concentration required for 50% inhibition of growth, TGI, the concentration requires for complete inhibition of growth, and LC50, the concentration required for 50% reduction in cell nu... aid43.table aid43.tbin
45 42060 Growth inhibition of the SF-268 human Central Nervous System tumor cell line is measured as a screen for anti-cancer activity. Cells are grown in 96 well plates and exposed to the test compound for 48 hours. Compounds are tested at 5 different concentrations and three endpoints are estimated from this dose response curve: GI50, concentration required for 50% inhibition of growth, TGI, the concentration requires for complete inhibition of growth, and LC50, the concentration required for 50% reduct... aid45.table aid45.tbin
47 42463 Growth inhibition of the SF-295 human Central Nervous System tumor cell line is measured as a screen for anti-cancer activity. Cells are grown in 96 well plates and exposed to the test compound for 48 hours. Compounds are tested at 5 different concentrations and three endpoints are estimated from this dose response curve: GI50, concentration required for 50% inhibition of growth, TGI, the concentration requires for complete inhibition of growth, and LC50, the concentration required for 50% reduct... aid47.table aid47.tbin
49 39798 Growth inhibition of the SF-539 human Central Nervous System tumor cell line is measured as a screen for anti-cancer activity. Cells are grown in 96 well plates and exposed to the test compound for 48 hours. Compounds are tested at 5 different concentrations and three endpoints are estimated from this dose response curve: GI50, concentration required for 50% inhibition of growth, TGI, the concentration requires for complete inhibition of growth, and LC50, the concentration required for 50% reduct... aid49.table aid49.tbin
51 12682 Growth inhibition of the XF 498 human Central Nervous System tumor cell line is measured as a screen for anti-cancer activity. Cells are grown in 96 well plates and exposed to the test compound for 48 hours. Compounds are tested at 5 different concentrations and three endpoints are estimated from this dose response curve: GI50, concentration required for 50% inhibition of growth, TGI, the concentration requires for complete inhibition of growth, and LC50, the concentration required for 50% reduct... aid51.table aid51.tbin
53 41977 Growth inhibition of the SNB-19 human Central Nervous System tumor cell line is measured as a screen for anti-cancer activity. Cells are grown in 96 well plates and exposed to the test compound for 48 hours. Compounds are tested at 5 different concentrations and three endpoints are estimated from this dose response curve: GI50, concentration required for 50% inhibition of growth, TGI, the concentration requires for complete inhibition of growth, and LC50, the concentration required for 50% reduct... aid53.table aid53.tbin
55 39710 Growth inhibition of the SNB-75 human Central Nervous System tumor cell line is measured as a screen for anti-cancer activity. Cells are grown in 96 well plates and exposed to the test compound for 48 hours. Compounds are tested at 5 different concentrations and three endpoints are estimated from this dose response curve: GI50, concentration required for 50% inhibition of growth, TGI, the concentration requires for complete inhibition of growth, and LC50, the concentration required for 50% reduct... aid55.table aid55.tbin
57 14295 Growth inhibition of the SNB-78 human Central Nervous System tumor cell line is measured as a screen for anti-cancer activity. Cells are grown in 96 well plates and exposed to the test compound for 48 hours. Compounds are tested at 5 different concentrations and three endpoints are estimated from this dose response curve: GI50, concentration required for 50% inhibition of growth, TGI, the concentration requires for complete inhibition of growth, and LC50, the concentration required for 50% reduct... aid57.table aid57.tbin
59 42473 Growth inhibition of the U251 human Central Nervous System tumor cell line is measured as a screen for anti-cancer activity. Cells are grown in 96 well plates and exposed to the test compound for 48 hours. Compounds are tested at 5 different concentrations and three endpoints are estimated from this dose response curve: GI50, concentration required for 50% inhibition of growth, TGI, the concentration requires for complete inhibition of growth, and LC50, the concentration required for 50% reductio... aid59.table aid59.tbin
61 14000 Growth inhibition of the DMS 273 human Small Cell Lung tumor cell line is measured as a screen for anti-cancer activity. Cells are grown in 96 well plates and exposed to the test compound for 48 hours. Compounds are tested at 5 different concentrations and three endpoints are estimated from this dose response curve: GI50, concentration required for 50% inhibition of growth, TGI, the concentration requires for complete inhibition of growth, and LC50, the concentration required for 50% reduction in... aid61.table aid61.tbin
63 15159 Growth inhibition of the DMS 114 human Small Cell Lung tumor cell line is measured as a screen for anti-cancer activity. Cells are grown in 96 well plates and exposed to the test compound for 48 hours. Compounds are tested at 5 different concentrations and three endpoints are estimated from this dose response curve: GI50, concentration required for 50% inhibition of growth, TGI, the concentration requires for complete inhibition of growth, and LC50, the concentration required for 50% reduction in... aid63.table aid63.tbin
65 42378 Growth inhibition of the HT29 human Colon tumor cell line is measured as a screen for anti-cancer activity. Cells are grown in 96 well plates and exposed to the test compound for 48 hours. Compounds are tested at 5 different concentrations and three endpoints are estimated from this dose response curve: GI50, concentration required for 50% inhibition of growth, TGI, the concentration requires for complete inhibition of growth, and LC50, the concentration required for 50% reduction in cell number.... aid65.table aid65.tbin
67 42041 Growth inhibition of the COLO 205 human Colon tumor cell line is measured as a screen for anti-cancer activity. Cells are grown in 96 well plates and exposed to the test compound for 48 hours. Compounds are tested at 5 different concentrations and three endpoints are estimated from this dose response curve: GI50, concentration required for 50% inhibition of growth, TGI, the concentration requires for complete inhibition of growth, and LC50, the concentration required for 50% reduction in cell num... aid67.table aid67.tbin
69 14890 Growth inhibition of the DLD-1 human Colon tumor cell line is measured as a screen for anti-cancer activity. Cells are grown in 96 well plates and exposed to the test compound for 48 hours. Compounds are tested at 5 different concentrations and three endpoints are estimated from this dose response curve: GI50, concentration required for 50% inhibition of growth, TGI, the concentration requires for complete inhibition of growth, and LC50, the concentration required for 50% reduction in cell number... aid69.table aid69.tbin
71 42032 Growth inhibition of the HCT-15 human Colon tumor cell line is measured as a screen for anti-cancer activity. Cells are grown in 96 well plates and exposed to the test compound for 48 hours. Compounds are tested at 5 different concentrations and three endpoints are estimated from this dose response curve: GI50, concentration required for 50% inhibition of growth, TGI, the concentration requires for complete inhibition of growth, and LC50, the concentration required for 50% reduction in cell numbe... aid71.table aid71.tbin
73 42223 Growth inhibition of the KM12 human Colon tumor cell line is measured as a screen for anti-cancer activity. Cells are grown in 96 well plates and exposed to the test compound for 48 hours. Compounds are tested at 5 different concentrations and three endpoints are estimated from this dose response curve: GI50, concentration required for 50% inhibition of growth, TGI, the concentration requires for complete inhibition of growth, and LC50, the concentration required for 50% reduction in cell number.... aid73.table aid73.tbin
75 14587 Growth inhibition of the KM20L2 human Colon tumor cell line is measured as a screen for anti-cancer activity. Cells are grown in 96 well plates and exposed to the test compound for 48 hours. Compounds are tested at 5 different concentrations and three endpoints are estimated from this dose response curve: GI50, concentration required for 50% inhibition of growth, TGI, the concentration requires for complete inhibition of growth, and LC50, the concentration required for 50% reduction in cell numbe... aid75.table aid75.tbin
77 38076 Growth inhibition of the HCC-2998 human Colon tumor cell line is measured as a screen for anti-cancer activity. Cells are grown in 96 well plates and exposed to the test compound for 48 hours. Compounds are tested at 5 different concentrations and three endpoints are estimated from this dose response curve: GI50, concentration required for 50% inhibition of growth, TGI, the concentration requires for complete inhibition of growth, and LC50, the concentration required for 50% reduction in cell num... aid77.table aid77.tbin
79 42130 Growth inhibition of the HCT-116 human Colon tumor cell line is measured as a screen for anti-cancer activity. Cells are grown in 96 well plates and exposed to the test compound for 48 hours. Compounds are tested at 5 different concentrations and three endpoints are estimated from this dose response curve: GI50, concentration required for 50% inhibition of growth, TGI, the concentration requires for complete inhibition of growth, and LC50, the concentration required for 50% reduction in cell numb... aid79.table aid79.tbin
81 42732 Growth inhibition of the SW-620 human Colon tumor cell line is measured as a screen for anti-cancer activity. Cells are grown in 96 well plates and exposed to the test compound for 48 hours. Compounds are tested at 5 different concentrations and three endpoints are estimated from this dose response curve: GI50, concentration required for 50% inhibition of growth, TGI, the concentration requires for complete inhibition of growth, and LC50, the concentration required for 50% reduction in cell numbe... aid81.table aid81.tbin
83 29117 Growth inhibition of the MCF7 human Breast tumor cell line is measured as a screen for anti-cancer activity. Cells are grown in 96 well plates and exposed to the test compound for 48 hours. Compounds are tested at 5 different concentrations and three endpoints are estimated from this dose response curve: GI50, concentration required for 50% inhibition of growth, TGI, the concentration requires for complete inhibition of growth, and LC50, the concentration required for 50% reduction in cell number... aid83.table aid83.tbin
85 28746 Growth inhibition of the MDA-MB-435 human Breast tumor cell line is measured as a screen for anti-cancer activity. Cells are grown in 96 well plates and exposed to the test compound for 48 hours. Compounds are tested at 5 different concentrations and three endpoints are estimated from this dose response curve: GI50, concentration required for 50% inhibition of growth, TGI, the concentration requires for complete inhibition of growth, and LC50, the concentration required for 50% reduction in cell ... aid85.table aid85.tbin
87 28140 Growth inhibition of the MDA-N human Breast tumor cell line is measured as a screen for anti-cancer activity. Cells are grown in 96 well plates and exposed to the test compound for 48 hours. Compounds are tested at 5 different concentrations and three endpoints are estimated from this dose response curve: GI50, concentration required for 50% inhibition of growth, TGI, the concentration requires for complete inhibition of growth, and LC50, the concentration required for 50% reduction in cell numbe... aid87.table aid87.tbin
89 25781 Growth inhibition of the BT-549 human Breast tumor cell line is measured as a screen for anti-cancer activity. Cells are grown in 96 well plates and exposed to the test compound for 48 hours. Compounds are tested at 5 different concentrations and three endpoints are estimated from this dose response curve: GI50, concentration required for 50% inhibition of growth, TGI, the concentration requires for complete inhibition of growth, and LC50, the concentration required for 50% reduction in cell numb... aid89.table aid89.tbin
91 27156 Growth inhibition of the T-47D human Breast tumor cell line is measured as a screen for anti-cancer activity. Cells are grown in 96 well plates and exposed to the test compound for 48 hours. Compounds are tested at 5 different concentrations and three endpoints are estimated from this dose response curve: GI50, concentration required for 50% inhibition of growth, TGI, the concentration requires for complete inhibition of growth, and LC50, the concentration required for 50% reduction in cell numbe... aid91.table aid91.tbin
93 29048 Growth inhibition of the NCI/ADR-RES human Breast tumor cell line is measured as a screen for anti-cancer activity. Cells are grown in 96 well plates and exposed to the test compound for 48 hours. Compounds are tested at 5 different concentrations and three endpoints are estimated from this dose response curve: GI50, concentration required for 50% inhibition of growth, TGI, the concentration requires for complete inhibition of growth, and LC50, the concentration required for 50% reduction in cell... aid93.table aid93.tbin
95 28261 Growth inhibition of the MDA-MB-231/ATCC human Breast tumor cell line is measured as a screen for anti-cancer activity. Cells are grown in 96 well plates and exposed to the test compound for 48 hours. Compounds are tested at 5 different concentrations and three endpoints are estimated from this dose response curve: GI50, concentration required for 50% inhibition of growth, TGI, the concentration requires for complete inhibition of growth, and LC50, the concentration required for 50% reduction in ... aid95.table aid95.tbin
97 27096 Growth inhibition of the HS 578T human Breast tumor cell line is measured as a screen for anti-cancer activity. Cells are grown in 96 well plates and exposed to the test compound for 48 hours. Compounds are tested at 5 different concentrations and three endpoints are estimated from this dose response curve: GI50, concentration required for 50% inhibition of growth, TGI, the concentration requires for complete inhibition of growth, and LC50, the concentration required for 50% reduction in cell num... aid97.table aid97.tbin
99 41254 Growth inhibition of the OVCAR-3 human Ovarian tumor cell line is measured as a screen for anti-cancer activity. Cells are grown in 96 well plates and exposed to the test compound for 48 hours. Compounds are tested at 5 different concentrations and three endpoints are estimated from this dose response curve: GI50, concentration required for 50% inhibition of growth, TGI, the concentration requires for complete inhibition of growth, and LC50, the concentration required for 50% reduction in cell nu... aid99.table aid99.tbin
101 42139 Growth inhibition of the IGROV1 human Ovarian tumor cell line is measured as a screen for anti-cancer activity. Cells are grown in 96 well plates and exposed to the test compound for 48 hours. Compounds are tested at 5 different concentrations and three endpoints are estimated from this dose response curve: GI50, concentration required for 50% inhibition of growth, TGI, the concentration requires for complete inhibition of growth, and LC50, the concentration required for 50% reduction in cell num... aid101.table aid101.tbin
103 40316 Growth inhibition of the SK-OV-3 human Ovarian tumor cell line is measured as a screen for anti-cancer activity. Cells are grown in 96 well plates and exposed to the test compound for 48 hours. Compounds are tested at 5 different concentrations and three endpoints are estimated from this dose response curve: GI50, concentration required for 50% inhibition of growth, TGI, the concentration requires for complete inhibition of growth, and LC50, the concentration required for 50% reduction in cell nu... aid103.table aid103.tbin
105 40464 Growth inhibition of the OVCAR-4 human Ovarian tumor cell line is measured as a screen for anti-cancer activity. Cells are grown in 96 well plates and exposed to the test compound for 48 hours. Compounds are tested at 5 different concentrations and three endpoints are estimated from this dose response curve: GI50, concentration required for 50% inhibition of growth, TGI, the concentration requires for complete inhibition of growth, and LC50, the concentration required for 50% reduction in cell nu... aid105.table aid105.tbin
107 41414 Growth inhibition of the OVCAR-5 human Ovarian tumor cell line is measured as a screen for anti-cancer activity. Cells are grown in 96 well plates and exposed to the test compound for 48 hours. Compounds are tested at 5 different concentrations and three endpoints are estimated from this dose response curve: GI50, concentration required for 50% inhibition of growth, TGI, the concentration requires for complete inhibition of growth, and LC50, the concentration required for 50% reduction in cell nu... aid107.table aid107.tbin
109 42713 Growth inhibition of the OVCAR-8 human Ovarian tumor cell line is measured as a screen for anti-cancer activity. Cells are grown in 96 well plates and exposed to the test compound for 48 hours. Compounds are tested at 5 different concentrations and three endpoints are estimated from this dose response curve: GI50, concentration required for 50% inhibition of growth, TGI, the concentration requires for complete inhibition of growth, and LC50, the concentration required for 50% reduction in cell nu... aid109.table aid109.tbin
111 1056 Growth inhibition of the P388 human Leukemia tumor cell line is measured as a screen for anti-cancer activity. Cells are grown in 96 well plates and exposed to the test compound for 48 hours. Compounds are tested at 5 different concentrations and three endpoints are estimated from this dose response curve: GI50, concentration required for 50% inhibition of growth, TGI, the concentration requires for complete inhibition of growth, and LC50, the concentration required for 50% reduction in cell numb... aid111.table aid111.tbin
113 39467 Growth inhibition of the RPMI-8226 human Leukemia tumor cell line is measured as a screen for anti-cancer activity. Cells are grown in 96 well plates and exposed to the test compound for 48 hours. Compounds are tested at 5 different concentrations and three endpoints are estimated from this dose response curve: GI50, concentration required for 50% inhibition of growth, TGI, the concentration requires for complete inhibition of growth, and LC50, the concentration required for 50% reduction in cell... aid113.table aid113.tbin
115 35247 Growth inhibition of the SR human Leukemia tumor cell line is measured as a screen for anti-cancer activity. Cells are grown in 96 well plates and exposed to the test compound for 48 hours. Compounds are tested at 5 different concentrations and three endpoints are estimated from this dose response curve: GI50, concentration required for 50% inhibition of growth, TGI, the concentration requires for complete inhibition of growth, and LC50, the concentration required for 50% reduction in cell number... aid115.table aid115.tbin
117 1034 Growth inhibition of the P388/ADR human Leukemia tumor cell line is measured as a screen for anti-cancer activity. Cells are grown in 96 well plates and exposed to the test compound for 48 hours. Compounds are tested at 5 different concentrations and three endpoints are estimated from this dose response curve: GI50, concentration required for 50% inhibition of growth, TGI, the concentration requires for complete inhibition of growth, and LC50, the concentration required for 50% reduction in cell ... aid117.table aid117.tbin
119 40800 Growth inhibition of the CCRF-CEM human Leukemia tumor cell line is measured as a screen for anti-cancer activity. Cells are grown in 96 well plates and exposed to the test compound for 48 hours. Compounds are tested at 5 different concentrations and three endpoints are estimated from this dose response curve: GI50, concentration required for 50% inhibition of growth, TGI, the concentration requires for complete inhibition of growth, and LC50, the concentration required for 50% reduction in cell ... aid119.table aid119.tbin
121 41721 Growth inhibition of the K-562 human Leukemia tumor cell line is measured as a screen for anti-cancer activity. Cells are grown in 96 well plates and exposed to the test compound for 48 hours. Compounds are tested at 5 different concentrations and three endpoints are estimated from this dose response curve: GI50, concentration required for 50% inhibition of growth, TGI, the concentration requires for complete inhibition of growth, and LC50, the concentration required for 50% reduction in cell num... aid121.table aid121.tbin
123 42140 Growth inhibition of the MOLT-4 human Leukemia tumor cell line is measured as a screen for anti-cancer activity. Cells are grown in 96 well plates and exposed to the test compound for 48 hours. Compounds are tested at 5 different concentrations and three endpoints are estimated from this dose response curve: GI50, concentration required for 50% inhibition of growth, TGI, the concentration requires for complete inhibition of growth, and LC50, the concentration required for 50% reduction in cell nu... aid123.table aid123.tbin
125 38933 Growth inhibition of the HL-60(TB) human Leukemia tumor cell line is measured as a screen for anti-cancer activity. Cells are grown in 96 well plates and exposed to the test compound for 48 hours. Compounds are tested at 5 different concentrations and three endpoints are estimated from this dose response curve: GI50, concentration required for 50% inhibition of growth, TGI, the concentration requires for complete inhibition of growth, and LC50, the concentration required for 50% reduction in cell... aid125.table aid125.tbin
127 1071 Growth inhibition of the SN12K1 human Renal tumor cell line is measured as a screen for anti-cancer activity. Cells are grown in 96 well plates and exposed to the test compound for 48 hours. Compounds are tested at 5 different concentrations and three endpoints are estimated from this dose response curve: GI50, concentration required for 50% inhibition of growth, TGI, the concentration requires for complete inhibition of growth, and LC50, the concentration required for 50% reduction in cell numbe... aid127.table aid127.tbin
129 36746 Growth inhibition of the A498 human Renal tumor cell line is measured as a screen for anti-cancer activity. Cells are grown in 96 well plates and exposed to the test compound for 48 hours. Compounds are tested at 5 different concentrations and three endpoints are estimated from this dose response curve: GI50, concentration required for 50% inhibition of growth, TGI, the concentration requires for complete inhibition of growth, and LC50, the concentration required for 50% reduction in cell number.... aid129.table aid129.tbin
131 39716 Growth inhibition of the CAKI-1 human Renal tumor cell line is measured as a screen for anti-cancer activity. Cells are grown in 96 well plates and exposed to the test compound for 48 hours. Compounds are tested at 5 different concentrations and three endpoints are estimated from this dose response curve: GI50, concentration required for 50% inhibition of growth, TGI, the concentration requires for complete inhibition of growth, and LC50, the concentration required for 50% reduction in cell numbe... aid131.table aid131.tbin
133 37867 Growth inhibition of the RXF 393 human Renal tumor cell line is measured as a screen for anti-cancer activity. Cells are grown in 96 well plates and exposed to the test compound for 48 hours. Compounds are tested at 5 different concentrations and three endpoints are estimated from this dose response curve: GI50, concentration required for 50% inhibition of growth, TGI, the concentration requires for complete inhibition of growth, and LC50, the concentration required for 50% reduction in cell numb... aid133.table aid133.tbin
135 11520 Growth inhibition of the RXF-631 human Renal tumor cell line is measured as a screen for anti-cancer activity. Cells are grown in 96 well plates and exposed to the test compound for 48 hours. Compounds are tested at 5 different concentrations and three endpoints are estimated from this dose response curve: GI50, concentration required for 50% inhibition of growth, TGI, the concentration requires for complete inhibition of growth, and LC50, the concentration required for 50% reduction in cell numb... aid135.table aid135.tbin
137 41560 Growth inhibition of the 786-0 human Renal tumor cell line is measured as a screen for anti-cancer activity. Cells are grown in 96 well plates and exposed to the test compound for 48 hours. Compounds are tested at 5 different concentrations and three endpoints are estimated from this dose response curve: GI50, concentration required for 50% inhibition of growth, TGI, the concentration requires for complete inhibition of growth, and LC50, the concentration required for 50% reduction in cell number... aid137.table aid137.tbin
139 41829 Growth inhibition of the ACHN human Renal tumor cell line is measured as a screen for anti-cancer activity. Cells are grown in 96 well plates and exposed to the test compound for 48 hours. Compounds are tested at 5 different concentrations and three endpoints are estimated from this dose response curve: GI50, concentration required for 50% inhibition of growth, TGI, the concentration requires for complete inhibition of growth, and LC50, the concentration required for 50% reduction in cell number.... aid139.table aid139.tbin
141 41208 Growth inhibition of the TK-10 human Renal tumor cell line is measured as a screen for anti-cancer activity. Cells are grown in 96 well plates and exposed to the test compound for 48 hours. Compounds are tested at 5 different concentrations and three endpoints are estimated from this dose response curve: GI50, concentration required for 50% inhibition of growth, TGI, the concentration requires for complete inhibition of growth, and LC50, the concentration required for 50% reduction in cell number... aid141.table aid141.tbin
143 41858 Growth inhibition of the UO-31 human Renal tumor cell line is measured as a screen for anti-cancer activity. Cells are grown in 96 well plates and exposed to the test compound for 48 hours. Compounds are tested at 5 different concentrations and three endpoints are estimated from this dose response curve: GI50, concentration required for 50% inhibition of growth, TGI, the concentration requires for complete inhibition of growth, and LC50, the concentration required for 50% reduction in cell number... aid143.table aid143.tbin
145 42177 Growth inhibition of the SN12C human Renal tumor cell line is measured as a screen for anti-cancer activity. Cells are grown in 96 well plates and exposed to the test compound for 48 hours. Compounds are tested at 5 different concentrations and three endpoints are estimated from this dose response curve: GI50, concentration required for 50% inhibition of growth, TGI, the concentration requires for complete inhibition of growth, and LC50, the concentration required for 50% reduction in cell number... aid145.table aid145.tbin
147 1792 Growth inhibition of yeast strains with defined genetic alterations is measured as a screen for potential anti-cancer activity. Selected strains with alterations in DNA damage repair or cell cycle control were exposed to compounds and growth inhibition was measured relative to vehicle treated controls. The strain used in this assay is rad52 aid147.table aid147.tbin
149 1792 Growth inhibition of yeast strains with defined genetic alterations is measured as a screen for potential anti-cancer activity. Selected strains with alterations in DNA damage repair or cell cycle control were exposed to compounds and growth inhibition was measured relative to vehicle treated controls. The strain used in this assay is wt1 aid149.table aid149.tbin
151 1792 Growth inhibition of yeast strains with defined genetic alterations is measured as a screen for potential anti-cancer activity. Selected strains with alterations in DNA damage repair or cell cycle control were exposed to compounds and growth inhibition was measured relative to vehicle treated controls. The strain used in this assay is rad50EPP+ aid151.table aid151.tbin
153 1792 Growth inhibition of yeast strains with defined genetic alterations is measured as a screen for potential anti-cancer activity. Selected strains with alterations in DNA damage repair or cell cycle control were exposed to compounds and growth inhibition was measured relative to vehicle treated controls. The strain used in this assay is mgt1 aid153.table aid153.tbin
155 86152 Growth inhibition of yeast strains with defined genetic alterations is measured as a screen for potential anti-cancer activity. Selected strains with alterations in DNA damage repair or cell cycle control were exposed to compounds and growth inhibition was measured relative to vehicle treated controls. The strain used in this assay is rad50 aid155.table aid155.tbin
157 86152 Growth inhibition of yeast strains with defined genetic alterations is measured as a screen for potential anti-cancer activity. Selected strains with alterations in DNA damage repair or cell cycle control were exposed to compounds and growth inhibition was measured relative to vehicle treated controls. The strain used in this assay is mec2-1 aid157.table aid157.tbin
159 1792 Growth inhibition of yeast strains with defined genetic alterations is measured as a screen for potential anti-cancer activity. Selected strains with alterations in DNA damage repair or cell cycle control were exposed to compounds and growth inhibition was measured relative to vehicle treated controls. The strain used in this assay is rad14 aid159.table aid159.tbin
161 85470 Growth inhibition of yeast strains with defined genetic alterations is measured as a screen for potential anti-cancer activity. Selected strains with alterations in DNA damage repair or cell cycle control were exposed to compounds and growth inhibition was measured relative to vehicle treated controls. The strain used in this assay is sgs1 mgt1 aid161.table aid161.tbin
163 1792 Growth inhibition of yeast strains with defined genetic alterations is measured as a screen for potential anti-cancer activity. Selected strains with alterations in DNA damage repair or cell cycle control were exposed to compounds and growth inhibition was measured relative to vehicle treated controls. The strain used in this assay is CLN2oe aid163.table aid163.tbin
165 85470 Growth inhibition of yeast strains with defined genetic alterations is measured as a screen for potential anti-cancer activity. Selected strains with alterations in DNA damage repair or cell cycle control were exposed to compounds and growth inhibition was measured relative to vehicle treated controls. The strain used in this assay is cln2 rad14 aid165.table aid165.tbin
167 85477 Growth inhibition of yeast strains with defined genetic alterations is measured as a screen for potential anti-cancer activity. Selected strains with alterations in DNA damage repair or cell cycle control were exposed to compounds and growth inhibition was measured relative to vehicle treated controls. The strain used in this assay is bub3 aid167.table aid167.tbin
169 1820 Growth inhibition of yeast strains with defined genetic alterations is measured as a screen for potential anti-cancer activity. Selected strains with alterations in DNA damage repair or cell cycle control were exposed to compounds and growth inhibition was measured relative to vehicle treated controls. The strain used in this assay is wt2 aid169.table aid169.tbin
171 1792 Growth inhibition of yeast strains with defined genetic alterations is measured as a screen for potential anti-cancer activity. Selected strains with alterations in DNA damage repair or cell cycle control were exposed to compounds and growth inhibition was measured relative to vehicle treated controls. The strain used in this assay is mlh1 aid171.table aid171.tbin
173 1792 Growth inhibition of yeast strains with defined genetic alterations is measured as a screen for potential anti-cancer activity. Selected strains with alterations in DNA damage repair or cell cycle control were exposed to compounds and growth inhibition was measured relative to vehicle treated controls. The strain used in this assay is sgs1 aid173.table aid173.tbin
175 86130 Growth inhibition of yeast strains with defined genetic alterations is measured as a screen for potential anti-cancer activity. Selected strains with alterations in DNA damage repair or cell cycle control were exposed to compounds and growth inhibition was measured relative to vehicle treated controls. The strain used in this assay is mlh1 rad18 aid175.table aid175.tbin
177 1792 Growth inhibition of yeast strains with defined genetic alterations is measured as a screen for potential anti-cancer activity. Selected strains with alterations in DNA damage repair or cell cycle control were exposed to compounds and growth inhibition was measured relative to vehicle treated controls. The strain used in this assay is rad18 aid177.table aid177.tbin
179 44150 The ability of compounds to protect human CEM cells from HIV-1 infection is measured as a screen for new compounds capable of inhibiting the HIV virus. Five concentrations of drug were tested on uninfected and infected cells and cell growth was measured using a soluble formazan assay. The dose response curve for the uninfected cells was used to calculate an IC50, the concentration of drug that causes 50% inhibition of growth (a measure of toxicity). The dose respose curve for the infected cells w... aid179.table aid179.tbin
180 1348 The antitumor activity of compounds was measured in mice bearing transplantable tumors. Survival or tumor size were measured and the results are expressed as the measurement made in the treated group (T) divided by the measurement made in the vehicle treated control group (C). The tumor model used in this assay is Adenocarcinoma 755 (subcutaneous) in B6D2F1 (BDF1) mice aid180.table aid180.tbin
182 103 The antitumor activity of compounds was measured in mice bearing transplantable tumors. Survival or tumor size were measured and the results are expressed as the measurement made in the treated group (T) divided by the measurement made in the vehicle treated control group (C). The tumor model used in this assay is P388 Leukemia resistant to Adriamycin; NSC 123127, Developed at Scr 06 and 41 (intraperitoneal) in B6D2F1 (BDF1) mice aid182.table aid182.tbin
184 77 The antitumor activity of compounds was measured in mice bearing transplantable tumors. Survival or tumor size were measured and the results are expressed as the measurement made in the treated group (T) divided by the measurement made in the vehicle treated control group (C). The tumor model used in this assay is ADJ-PC-6 (intraperitoneal) in BALB/cJ mice aid184.table aid184.tbin
186 150 The antitumor activity of compounds was measured in mice bearing transplantable tumors. Survival or tumor size were measured and the results are expressed as the measurement made in the treated group (T) divided by the measurement made in the vehicle treated control group (C). The tumor model used in this assay is Nontumored Animals (Toxicity Test) in B6D2F1 (BDF1) mice aid186.table aid186.tbin
188 244 The antitumor activity of compounds was measured in mice bearing transplantable tumors. Survival or tumor size were measured and the results are expressed as the measurement made in the treated group (T) divided by the measurement made in the vehicle treated control group (C). The tumor model used in this assay is Nontumored Animals (Toxicity Test) in CD2F1 (CDF1) mice aid188.table aid188.tbin
190 261 The antitumor activity of compounds was measured in mice bearing transplantable tumors. Survival or tumor size were measured and the results are expressed as the measurement made in the treated group (T) divided by the measurement made in the vehicle treated control group (C). The tumor model used in this assay is Lymphoma AKR (Transplanted) (intraperitoneal) in AKR/Lw mice aid190.table aid190.tbin
192 6211 The antitumor activity of compounds was measured in mice bearing transplantable tumors. Survival or tumor size were measured and the results are expressed as the measurement made in the treated group (T) divided by the measurement made in the vehicle treated control group (C). The tumor model used in this assay is B16 Melanoma (intraperitoneal) in B6D2F1 (BDF1) mice aid192.table aid192.tbin
194 266 The antitumor activity of compounds was measured in mice bearing transplantable tumors. Survival or tumor size were measured and the results are expressed as the measurement made in the treated group (T) divided by the measurement made in the vehicle treated control group (C). The tumor model used in this assay is B16 Melanoma (subcutaneous) in B6D2F1 (BDF1) mice aid194.table aid194.tbin
196 134 The antitumor activity of compounds was measured in mice bearing transplantable tumors. Survival or tumor size were measured and the results are expressed as the measurement made in the treated group (T) divided by the measurement made in the vehicle treated control group (C). The tumor model used in this assay is B16 Melanoma (intracerebral) in B6D2F1 (BDF1) mice aid196.table aid196.tbin
198 119 The antitumor activity of compounds was measured in mice bearing transplantable tumors. Survival or tumor size were measured and the results are expressed as the measurement made in the treated group (T) divided by the measurement made in the vehicle treated control group (C). The tumor model used in this assay is B16 Melanoma (intraperitoneal) in C57BL/6 mice aid198.table aid198.tbin
200 1957 The antitumor activity of compounds was measured in mice bearing transplantable tumors. Survival or tumor size were measured and the results are expressed as the measurement made in the treated group (T) divided by the measurement made in the vehicle treated control group (C). The tumor model used in this assay is B16 Melanoma (intraperitoneal) in B6C3F1 mice aid200.table aid200.tbin
202 107 The antitumor activity of compounds was measured in mice bearing transplantable tumors. Survival or tumor size were measured and the results are expressed as the measurement made in the treated group (T) divided by the measurement made in the vehicle treated control group (C). The tumor model used in this assay is HT29;CX-1 Human Adenocarcinoma (MER+) (subcutaneous) in NU/NU Swiss (nude) mice aid202.table aid202.tbin
204 101 The antitumor activity of compounds was measured in mice bearing transplantable tumors. Survival or tumor size were measured and the results are expressed as the measurement made in the treated group (T) divided by the measurement made in the vehicle treated control group (C). The tumor model used in this assay is P288 Lymphocytic Leukemia resistant to methotrexate; NSC 740 (intraperitoneal) in B6D2F1 (BDF1) mice aid204.table aid204.tbin
206 964 The antitumor activity of compounds was measured in mice bearing transplantable tumors. Survival or tumor size were measured and the results are expressed as the measurement made in the treated group (T) divided by the measurement made in the vehicle treated control group (C). The tumor model used in this assay is HT29;CX-1 Human Adenocarcinoma (MER+) (intrarenal inoculation) in NU/NU Swiss (nude) mice aid206.table aid206.tbin
208 241 The antitumor activity of compounds was measured in mice bearing transplantable tumors. Survival or tumor size were measured and the results are expressed as the measurement made in the treated group (T) divided by the measurement made in the vehicle treated control group (C). The tumor model used in this assay is HT29;CX-1 Human Adenocarcinoma (MER+) (intrarenal inoculation) in NU/NU BALB/C (nude) mice aid208.table aid208.tbin
210 298 The antitumor activity of compounds was measured in mice bearing transplantable tumors. Survival or tumor size were measured and the results are expressed as the measurement made in the treated group (T) divided by the measurement made in the vehicle treated control group (C). The tumor model used in this assay is Colon 26 Adenocarcinoma (intraperitoneal) in CD2F1 (CDF1) mice aid210.table aid210.tbin
212 1251 The antitumor activity of compounds was measured in mice bearing transplantable tumors. Survival or tumor size were measured and the results are expressed as the measurement made in the treated group (T) divided by the measurement made in the vehicle treated control group (C). The tumor model used in this assay is Colon Carcinoma 38 (subcutaneous) in B6D2F1 (BDF1) mice aid212.table aid212.tbin
214 193 The antitumor activity of compounds was measured in mice bearing transplantable tumors. Survival or tumor size were measured and the results are expressed as the measurement made in the treated group (T) divided by the measurement made in the vehicle treated control group (C). The tumor model used in this assay is Colon Carcinoma 38 (subcutaneous) in B6C3F1 mice aid214.table aid214.tbin
216 161 The antitumor activity of compounds was measured in mice bearing transplantable tumors. Survival or tumor size were measured and the results are expressed as the measurement made in the treated group (T) divided by the measurement made in the vehicle treated control group (C). The tumor model used in this assay is P288 Lymphocytic Leukemia (intraperitoneal) in B6D2F1 (BDF1) mice aid216.table aid216.tbin
218 150 The antitumor activity of compounds was measured in mice bearing transplantable tumors. Survival or tumor size were measured and the results are expressed as the measurement made in the treated group (T) divided by the measurement made in the vehicle treated control group (C). The tumor model used in this assay is Adenocarcinoma 755 (subcutaneous) in C57BL/6 mice aid218.table aid218.tbin
220 1239 The antitumor activity of compounds was measured in mice bearing transplantable tumors. Survival or tumor size were measured and the results are expressed as the measurement made in the treated group (T) divided by the measurement made in the vehicle treated control group (C). The tumor model used in this assay is Mammary Adenocarcinoma CD8F1 (subcutaneous) in CD8F1 aid220.table aid220.tbin
222 167 The antitumor activity of compounds was measured in mice bearing transplantable tumors. Survival or tumor size were measured and the results are expressed as the measurement made in the treated group (T) divided by the measurement made in the vehicle treated control group (C). The tumor model used in this assay is Ependymoblastoma (intracerebral) in C57BL/6 mice aid222.table aid222.tbin
224 134 The antitumor activity of compounds was measured in mice bearing transplantable tumors. Survival or tumor size were measured and the results are expressed as the measurement made in the treated group (T) divided by the measurement made in the vehicle treated control group (C). The tumor model used in this assay is P335 Leukemia (intraperitoneal) in B6D2F1 (BDF1) mice aid224.table aid224.tbin
226 283 The antitumor activity of compounds was measured in mice bearing transplantable tumors. Survival or tumor size were measured and the results are expressed as the measurement made in the treated group (T) divided by the measurement made in the vehicle treated control group (C). The tumor model used in this assay is Ependymoblastoma (intracerebral) in B6C3F1 mice aid226.table aid226.tbin
228 337 The antitumor activity of compounds was measured in mice bearing transplantable tumors. Survival or tumor size were measured and the results are expressed as the measurement made in the treated group (T) divided by the measurement made in the vehicle treated control group (C). The tumor model used in this assay is Friend Virus Leukemia (Solid) (subcutaneous) in B6D2F1 (BDF1) mice aid228.table aid228.tbin
230 115 The antitumor activity of compounds was measured in mice bearing transplantable tumors. Survival or tumor size were measured and the results are expressed as the measurement made in the treated group (T) divided by the measurement made in the vehicle treated control group (C). The tumor model used in this assay is Lymphosarcoma Gardner 6C3HED (intraperitoneal) in C3H/He mice aid230.table aid230.tbin
232 85 The antitumor activity of compounds was measured in mice bearing transplantable tumors. Survival or tumor size were measured and the results are expressed as the measurement made in the treated group (T) divided by the measurement made in the vehicle treated control group (C). The tumor model used in this assay is Lymphosarcoma Gardner 6C3HED (intraperitoneal) in C3AKF1 (CHKRF1) mice aid232.table aid232.tbin
234 146 The antitumor activity of compounds was measured in mice bearing transplantable tumors. Survival or tumor size were measured and the results are expressed as the measurement made in the treated group (T) divided by the measurement made in the vehicle treated control group (C). The tumor model used in this assay is Cystadenocarcinoma, Liver (No. 1) (Hamster) (subcutaneous) in C3AKF1 (CHKRF1) mice aid234.table aid234.tbin
236 106 The antitumor activity of compounds was measured in mice bearing transplantable tumors. Survival or tumor size were measured and the results are expressed as the measurement made in the treated group (T) divided by the measurement made in the vehicle treated control group (C). The tumor model used in this assay is AK4 Lymphoid Leukemia (intraperitoneal) in C3AKF1 (CHKRF1) mice aid236.table aid236.tbin
238 86 The antitumor activity of compounds was measured in mice bearing transplantable tumors. Survival or tumor size were measured and the results are expressed as the measurement made in the treated group (T) divided by the measurement made in the vehicle treated control group (C). The tumor model used in this assay is Leiomyosarcoma (No. 2) (intraperitoneal) in CAF1 mice aid238.table aid238.tbin
240 88 The antitumor activity of compounds was measured in mice bearing transplantable tumors. Survival or tumor size were measured and the results are expressed as the measurement made in the treated group (T) divided by the measurement made in the vehicle treated control group (C). The tumor model used in this assay is Lymphoma 4 (intraperitoneal) in B6D2F1 (BDF1) mice aid240.table aid240.tbin
242 104 The antitumor activity of compounds was measured in mice bearing transplantable tumors. Survival or tumor size were measured and the results are expressed as the measurement made in the treated group (T) divided by the measurement made in the vehicle treated control group (C). The tumor model used in this assay is Lymphoma 8 (intraperitoneal) in B6D2F1 (BDF1) mice aid242.table aid242.tbin
244 65 The antitumor activity of compounds was measured in mice bearing transplantable tumors. Survival or tumor size were measured and the results are expressed as the measurement made in the treated group (T) divided by the measurement made in the vehicle treated control group (C). The tumor model used in this assay is Lymphoma 8 (intraperitoneal) in CD2F1 (CDF1) mice aid244.table aid244.tbin
246 162 The antitumor activity of compounds was measured in mice bearing transplantable tumors. Survival or tumor size were measured and the results are expressed as the measurement made in the treated group (T) divided by the measurement made in the vehicle treated control group (C). The tumor model used in this assay is P1081 Chloroleukemia (intraperitoneal) in B6D2F1 (BDF1) mice aid246.table aid246.tbin
248 58883 The antitumor activity of compounds was measured in mice bearing transplantable tumors. Survival or tumor size were measured and the results are expressed as the measurement made in the treated group (T) divided by the measurement made in the vehicle treated control group (C). The tumor model used in this assay is L1210 Leukemia (intraperitoneal) in B6D2F1 (BDF1) mice aid248.table aid248.tbin
250 395 The antitumor activity of compounds was measured in mice bearing transplantable tumors. Survival or tumor size were measured and the results are expressed as the measurement made in the treated group (T) divided by the measurement made in the vehicle treated control group (C). The tumor model used in this assay is L1210 Leukemia (subcutaneous) in B6D2F1 (BDF1) mice aid250.table aid250.tbin
252 307 The antitumor activity of compounds was measured in mice bearing transplantable tumors. Survival or tumor size were measured and the results are expressed as the measurement made in the treated group (T) divided by the measurement made in the vehicle treated control group (C). The tumor model used in this assay is L1210 Leukemia (intracerebral) in B6D2F1 (BDF1) mice aid252.table aid252.tbin
254 49 The antitumor activity of compounds was measured in mice bearing transplantable tumors. Survival or tumor size were measured and the results are expressed as the measurement made in the treated group (T) divided by the measurement made in the vehicle treated control group (C). The tumor model used in this assay is L1210 Leukemia (intravenous) in B6D2F1 (BDF1) mice aid254.table aid254.tbin
256 21196 The antitumor activity of compounds was measured in mice bearing transplantable tumors. Survival or tumor size were measured and the results are expressed as the measurement made in the treated group (T) divided by the measurement made in the vehicle treated control group (C). The tumor model used in this assay is L1210 Leukemia (intraperitoneal) in CD2F1 (CDF1) mice aid256.table aid256.tbin
258 230 The antitumor activity of compounds was measured in mice bearing transplantable tumors. Survival or tumor size were measured and the results are expressed as the measurement made in the treated group (T) divided by the measurement made in the vehicle treated control group (C). The tumor model used in this assay is L1210 Leukemia (subcutaneous) in CD2F1 (CDF1) mice aid258.table aid258.tbin
260 167 The antitumor activity of compounds was measured in mice bearing transplantable tumors. Survival or tumor size were measured and the results are expressed as the measurement made in the treated group (T) divided by the measurement made in the vehicle treated control group (C). The tumor model used in this assay is L1210 Leukemia (intracerebral) in CD2F1 (CDF1) mice aid260.table aid260.tbin
262 129 The antitumor activity of compounds was measured in mice bearing transplantable tumors. Survival or tumor size were measured and the results are expressed as the measurement made in the treated group (T) divided by the measurement made in the vehicle treated control group (C). The tumor model used in this assay is Human Lung LX-1 Xenograft (subcutaneous) in NU/NU Swiss (nude) mice aid262.table aid262.tbin
264 953 The antitumor activity of compounds was measured in mice bearing transplantable tumors. Survival or tumor size were measured and the results are expressed as the measurement made in the treated group (T) divided by the measurement made in the vehicle treated control group (C). The tumor model used in this assay is Human Lung LX-1 Xenograft (intrarenal inoculation) in NU/NU Swiss (nude) mice aid264.table aid264.tbin
266 250 The antitumor activity of compounds was measured in mice bearing transplantable tumors. Survival or tumor size were measured and the results are expressed as the measurement made in the treated group (T) divided by the measurement made in the vehicle treated control group (C). The tumor model used in this assay is Human Lung LX-1 Xenograft (intrarenal inoculation) in NU/NU BALB/C (nude) mice aid266.table aid266.tbin
268 192 The antitumor activity of compounds was measured in mice bearing transplantable tumors. Survival or tumor size were measured and the results are expressed as the measurement made in the treated group (T) divided by the measurement made in the vehicle treated control group (C). The tumor model used in this assay is P1798 Lymphosarcoma (subcutaneous) in CD2F1 (CDF1) mice aid268.table aid268.tbin
270 1042 The antitumor activity of compounds was measured in mice bearing transplantable tumors. Survival or tumor size were measured and the results are expressed as the measurement made in the treated group (T) divided by the measurement made in the vehicle treated control group (C). The tumor model used in this assay is Lewis Lung Carcinoma (subcutaneous) in B6D2F1 (BDF1) mice aid270.table aid270.tbin
272 381 The antitumor activity of compounds was measured in mice bearing transplantable tumors. Survival or tumor size were measured and the results are expressed as the measurement made in the treated group (T) divided by the measurement made in the vehicle treated control group (C). The tumor model used in this assay is Lewis Lung Carcinoma (intramuscular) in B6D2F1 (BDF1) mice aid272.table aid272.tbin
274 543 The antitumor activity of compounds was measured in mice bearing transplantable tumors. Survival or tumor size were measured and the results are expressed as the measurement made in the treated group (T) divided by the measurement made in the vehicle treated control group (C). The tumor model used in this assay is Lewis Lung Carcinoma (intravenous) in B6D2F1 (BDF1) mice aid274.table aid274.tbin
276 612 The antitumor activity of compounds was measured in mice bearing transplantable tumors. Survival or tumor size were measured and the results are expressed as the measurement made in the treated group (T) divided by the measurement made in the vehicle treated control group (C). The tumor model used in this assay is Lewis Lung Carcinoma (intravenous) in B6C3F1 mice aid276.table aid276.tbin
278 224 The antitumor activity of compounds was measured in mice bearing transplantable tumors. Survival or tumor size were measured and the results are expressed as the measurement made in the treated group (T) divided by the measurement made in the vehicle treated control group (C). The tumor model used in this assay is A549 Human Adenocarcinoma of Lung with characteristics of Type II Alveolar Epithelial cells (intrarenal inoculation) in NU/NU BALB/C (nude) mice aid278.table aid278.tbin
280 336 The antitumor activity of compounds was measured in mice bearing transplantable tumors. Survival or tumor size were measured and the results are expressed as the measurement made in the treated group (T) divided by the measurement made in the vehicle treated control group (C). The tumor model used in this assay is Human Amelanotic Melanoma (LOX) (intraperitoneal) in NU/NU BALB/C (nude) mice aid280.table aid280.tbin
282 134 The antitumor activity of compounds was measured in mice bearing transplantable tumors. Survival or tumor size were measured and the results are expressed as the measurement made in the treated group (T) divided by the measurement made in the vehicle treated control group (C). The tumor model used in this assay is L1210 Leukemia resistant to A Terephthalanilide; NSC 38280 (intraperitoneal) in B6D2F1 (BDF1) mice aid282.table aid282.tbin
284 124 The antitumor activity of compounds was measured in mice bearing transplantable tumors. Survival or tumor size were measured and the results are expressed as the measurement made in the treated group (T) divided by the measurement made in the vehicle treated control group (C). The tumor model used in this assay is L1210 Leukemia resistant to Methotrexate; NSC 740 (intraperitoneal) in B6D2F1 (BDF1) mice aid284.table aid284.tbin
286 108 The antitumor activity of compounds was measured in mice bearing transplantable tumors. Survival or tumor size were measured and the results are expressed as the measurement made in the treated group (T) divided by the measurement made in the vehicle treated control group (C). The tumor model used in this assay is Sarcoma M5076 (intraperitoneal) in B6D2F1 (BDF1) mice aid286.table aid286.tbin
288 200 The antitumor activity of compounds was measured in mice bearing transplantable tumors. Survival or tumor size were measured and the results are expressed as the measurement made in the treated group (T) divided by the measurement made in the vehicle treated control group (C). The tumor model used in this assay is Sarcoma M5076 (subcutaneous) in B6D2F1 (BDF1) mice aid288.table aid288.tbin
290 123 The antitumor activity of compounds was measured in mice bearing transplantable tumors. Survival or tumor size were measured and the results are expressed as the measurement made in the treated group (T) divided by the measurement made in the vehicle treated control group (C). The tumor model used in this assay is P1798 Lymphosarcoma (subcutaneous) in unknown mice aid290.table aid290.tbin
292 828 The antitumor activity of compounds was measured in mice bearing transplantable tumors. Survival or tumor size were measured and the results are expressed as the measurement made in the treated group (T) divided by the measurement made in the vehicle treated control group (C). The tumor model used in this assay is Sarcoma M5076 (intraperitoneal) in B6C3F1 mice aid292.table aid292.tbin
294 110 The antitumor activity of compounds was measured in mice bearing transplantable tumors. Survival or tumor size were measured and the results are expressed as the measurement made in the treated group (T) divided by the measurement made in the vehicle treated control group (C). The tumor model used in this assay is Human Mammary Carcinoma MX-1 Xenograft (subcutaneous) in NU/NU Swiss (nude) mice aid294.table aid294.tbin
296 1082 The antitumor activity of compounds was measured in mice bearing transplantable tumors. Survival or tumor size were measured and the results are expressed as the measurement made in the treated group (T) divided by the measurement made in the vehicle treated control group (C). The tumor model used in this assay is Human Mammary Carcinoma MX-1 Xenograft (intrarenal inoculation) in NU/NU Swiss (nude) mice aid296.table aid296.tbin
298 620 The antitumor activity of compounds was measured in mice bearing transplantable tumors. Survival or tumor size were measured and the results are expressed as the measurement made in the treated group (T) divided by the measurement made in the vehicle treated control group (C). The tumor model used in this assay is Human Mammary Carcinoma MX-1 Xenograft (intrarenal inoculation) in NU/NU BALB/C (nude) mice aid298.table aid298.tbin
300 76 The antitumor activity of compounds was measured in mice bearing transplantable tumors. Survival or tumor size were measured and the results are expressed as the measurement made in the treated group (T) divided by the measurement made in the vehicle treated control group (C). The tumor model used in this assay is Madison 109 Lung Carcinoma (intramuscular) in unknown mice aid300.table aid300.tbin
302 78 The antitumor activity of compounds was measured in mice bearing transplantable tumors. Survival or tumor size were measured and the results are expressed as the measurement made in the treated group (T) divided by the measurement made in the vehicle treated control group (C). The tumor model used in this assay is Madison 109 Lung Carcinoma (intramuscular) in BALB/CM mice aid302.table aid302.tbin
304 86 The antitumor activity of compounds was measured in mice bearing transplantable tumors. Survival or tumor size were measured and the results are expressed as the measurement made in the treated group (T) divided by the measurement made in the vehicle treated control group (C). The tumor model used in this assay is Lymphosarcoma Mecca (intraperitoneal) in C3AKF1 (CHKRF1) mice aid304.table aid304.tbin
306 137 The antitumor activity of compounds was measured in mice bearing transplantable tumors. Survival or tumor size were measured and the results are expressed as the measurement made in the treated group (T) divided by the measurement made in the vehicle treated control group (C). The tumor model used in this assay is L1210 Leukemia resistant to Methyl-GAG; NSC 32946 (subcutaneous) in B6D2F1 (BDF1) mice aid306.table aid306.tbin
308 164 The antitumor activity of compounds was measured in mice bearing transplantable tumors. Survival or tumor size were measured and the results are expressed as the measurement made in the treated group (T) divided by the measurement made in the vehicle treated control group (C). The tumor model used in this assay is L1210 Leukemia resistant to 6-MP and 6-Thioguanine; NSC 755, NSC 752 (intraperitoneal) in B6D2F1 (BDF1) mice aid308.table aid308.tbin
310 114 The antitumor activity of compounds was measured in mice bearing transplantable tumors. Survival or tumor size were measured and the results are expressed as the measurement made in the treated group (T) divided by the measurement made in the vehicle treated control group (C). The tumor model used in this assay is Osteogenic Sarcoma HE 10734 (subcutaneous) in C3AKF1 (CHKRF1) mice aid310.table aid310.tbin
312 88 The antitumor activity of compounds was measured in mice bearing transplantable tumors. Survival or tumor size were measured and the results are expressed as the measurement made in the treated group (T) divided by the measurement made in the vehicle treated control group (C). The tumor model used in this assay is C1498 Myeloid Leukemia (intraperitoneal) in B6D2F1 (BDF1) mice aid312.table aid312.tbin
314 127 The antitumor activity of compounds was measured in mice bearing transplantable tumors. Survival or tumor size were measured and the results are expressed as the measurement made in the treated group (T) divided by the measurement made in the vehicle treated control group (C). The tumor model used in this assay is P1534 Leukemia (intraperitoneal) in DBA/2 mice aid314.table aid314.tbin
316 247 The antitumor activity of compounds was measured in mice bearing transplantable tumors. Survival or tumor size were measured and the results are expressed as the measurement made in the treated group (T) divided by the measurement made in the vehicle treated control group (C). The tumor model used in this assay is P1534 Leukemia (intraperitoneal) in CD2F1 (CDF1) mice aid316.table aid316.tbin
318 151 The antitumor activity of compounds was measured in mice bearing transplantable tumors. Survival or tumor size were measured and the results are expressed as the measurement made in the treated group (T) divided by the measurement made in the vehicle treated control group (C). The tumor model used in this assay is P815 Mast Cell Leukemia (Ascitic) (intraperitoneal) in B6D2F1 (BDF1) mice aid318.table aid318.tbin
320 80 The antitumor activity of compounds was measured in mice bearing transplantable tumors. Survival or tumor size were measured and the results are expressed as the measurement made in the treated group (T) divided by the measurement made in the vehicle treated control group (C). The tumor model used in this assay is P329 Reticulum Cell Sarcoma (intraperitoneal) in B6D2F1 (BDF1) mice aid320.table aid320.tbin
322 84 The antitumor activity of compounds was measured in mice bearing transplantable tumors. Survival or tumor size were measured and the results are expressed as the measurement made in the treated group (T) divided by the measurement made in the vehicle treated control group (C). The tumor model used in this assay is P388 Leukemia resistant to Adriamycin; NSC 123127, Developed at Scr 08 (intraperitoneal) in CD2F1 (CDF1) mice aid322.table aid322.tbin
324 67 The antitumor activity of compounds was measured in mice bearing transplantable tumors. Survival or tumor size were measured and the results are expressed as the measurement made in the treated group (T) divided by the measurement made in the vehicle treated control group (C). The tumor model used in this assay is P388 Leukemia resistant to AMSA; NSC 249992 (intraperitoneal) in CD2F1 (CDF1) mice aid324.table aid324.tbin
326 48 The antitumor activity of compounds was measured in mice bearing transplantable tumors. Survival or tumor size were measured and the results are expressed as the measurement made in the treated group (T) divided by the measurement made in the vehicle treated control group (C). The tumor model used in this assay is P388 Leukemia resistant to Dihydroxy Anthracenedione; NSC 299195 (intraperitoneal) in CD2F1 (CDF1) mice aid326.table aid326.tbin
328 12988 The antitumor activity of compounds was measured in mice bearing transplantable tumors. Survival or tumor size were measured and the results are expressed as the measurement made in the treated group (T) divided by the measurement made in the vehicle treated control group (C). The tumor model used in this assay is P388 Leukemia (intraperitoneal) in B6D2F1 (BDF1) mice aid328.table aid328.tbin
330 47318 The antitumor activity of compounds was measured in mice bearing transplantable tumors. Survival or tumor size were measured and the results are expressed as the measurement made in the treated group (T) divided by the measurement made in the vehicle treated control group (C). The tumor model used in this assay is P388 Leukemia (intraperitoneal) in CD2F1 (CDF1) mice aid330.table aid330.tbin
332 136 The antitumor activity of compounds was measured in mice bearing transplantable tumors. Survival or tumor size were measured and the results are expressed as the measurement made in the treated group (T) divided by the measurement made in the vehicle treated control group (C). The tumor model used in this assay is ADJ-PC-20 Plasma Cell (subcutaneous) in unknown mice aid332.table aid332.tbin
334 130 The antitumor activity of compounds was measured in mice bearing transplantable tumors. Survival or tumor size were measured and the results are expressed as the measurement made in the treated group (T) divided by the measurement made in the vehicle treated control group (C). The tumor model used in this assay is P388 Leukemia (intracerebral) in CD2F1 (CDF1) mice aid334.table aid334.tbin
336 152 The antitumor activity of compounds was measured in mice bearing transplantable tumors. Survival or tumor size were measured and the results are expressed as the measurement made in the treated group (T) divided by the measurement made in the vehicle treated control group (C). The tumor model used in this assay is P388 Leukemia resistant to Vincristine; NSC 67574 (intraperitoneal) in B6D2F1 (BDF1) mice aid336.table aid336.tbin
338 110 The antitumor activity of compounds was measured in mice bearing transplantable tumors. Survival or tumor size were measured and the results are expressed as the measurement made in the treated group (T) divided by the measurement made in the vehicle treated control group (C). The tumor model used in this assay is P388 Leukemia resistant to A Terephthalanilide; NSC 38280 (intraperitoneal) in B6D2F1 (BDF1) mice aid338.table aid338.tbin
340 84 The antitumor activity of compounds was measured in mice bearing transplantable tumors. Survival or tumor size were measured and the results are expressed as the measurement made in the treated group (T) divided by the measurement made in the vehicle treated control group (C). The tumor model used in this assay is Reticulum Cell Sarcoma (Kelley Mouse) (intraperitoneal) in CD2F1 (CDF1) mice aid340.table aid340.tbin
342 711 The antitumor activity of compounds was measured in mice bearing transplantable tumors. Survival or tumor size were measured and the results are expressed as the measurement made in the treated group (T) divided by the measurement made in the vehicle treated control group (C). The tumor model used in this assay is Sarcoma 180 (subcutaneous) in Swiss mice aid342.table aid342.tbin
344 98 The antitumor activity of compounds was measured in mice bearing transplantable tumors. Survival or tumor size were measured and the results are expressed as the measurement made in the treated group (T) divided by the measurement made in the vehicle treated control group (C). The tumor model used in this assay is Lieberman Plasma Cell No. 1 (LPC-1) (intraperitoneal) in unknown mice aid344.table aid344.tbin
346 3000 NCGC Assay Overview: HIV-1 nucleocapsid protein (HIV-1 NC) is a small (6.5 kDa) basic zinc-finger protein which participates in packaging of viral genomic RNA. The spacing and metal-chelating residues (3 Cys, 1 His) of the Cys-X2-Cys-X4-His-X4-Cys Zn fingers are conserved among all known retroviruses (J. Med. Chem. 1998, 41, 1371-1381). HIV-1 NC was assayed for its binding to the consensus sequence single-stranded 5'-TGTGTGTG. The assay utilizes fluorescence polarization (FP) where probe TGx4F (... aid346.table aid346.tbin
348 4979 NCGC Assay Overview: Beta-glucocerebrosidase catalyzes the hydrolysis of beta-glucocerebroside to glucose and ceramide. The inherited deficiency of beta-glucocerebrosidase results in Gaucher disease, which is characterized by a wide variety of symptoms including hepatosplenomegaly, anemia, thrombocytopenia, bony lesions and bone marrow infiltration with characteristic storage cells, known as Gaucher cells. There are also forms of the disorder affecting the central nervous system. Patients with ... aid348.table aid348.tbin
351 122 Adult sea urchins were collected from Mediterranean Sea at Cyprus coast and kept in aerated seawater tank. Gametes were obtained by intracoelomic injection of 0.5 M KCl. Eggs were washed with filtered sea water and fertilized by adding drops of a diluted sperm. Embryos were cultured at room temperature under gentle agitation with a motor-driven plastic paddle (60 rpm) in filtered sea water up to the beginning of active feeding (mid-pluteus stage). The embryos were observed with light microscope.... aid351.table aid351.tbin
357 10692 NCGC Assay Overview: Activator protein-1 (AP-1), a transcription factor, plays an important role in tumor genesis by regulating genes involved in cell proliferation, differentiation, apoptosis, and angiogenesis. AP-1 activity is induced by a complex network of signaling pathways that involves extracellular signals, such as growth factors. The AP-1 protein complex formed from c-Fos and c-Jun binding to the AP-1 response element results in transcriptional activation of genes containing such elemen... aid357.table aid357.tbin
360 48125 NCGC Assay Overview: Beta-glucocerebrosidase catalyzes the hydrolysis of beta-glucocerebroside to glucose and ceramide. The inherited deficiency of beta-glucocerebrosidase results in Gaucher disease, which is characterized by a wide variety of symptoms including hepatosplenomegaly, anemia, thrombocytopenia, bony lesions and bone marrow infiltration with characteristic storage cells, known as Gaucher cells. There are also forms of the disorder affecting the central nervous system. Patients with t... aid360.table aid360.tbin
361 51441 NCGC Assay Overview: Pyruvate kinase (partially purified from Bacillus stearothermophilus) was assayed for its ability to generate ATP from ADP using phosphoenolpyruvate (PEP) as a substrate. ATP generation was detected in a coupled reaction by luciferase-mediated luminescence, an ATP-dependent process. Pyruvate kinase substrates, PEP and ADP, were present in the assay at Km and 10-fold below Km respectively. The enzyme was assayed at an intermediate level of activity to screen for inhibitors... aid361.table aid361.tbin
362 4282 University of New Mexico Assay Overview: The formylpeptide receptor (FPR) family of G-protein coupled receptors (GPCR) contributes to the localization and activation of tissue-damaging leukocytes at sites of chronic inflammation. FPR ligands trigger a variety of biologic activities in myeloid cells, including chemokinesis, chemotaxis, cytokine production and superoxide generation. It has been proposed that a primary FPR function is to promote trafficking of phagocytic myeloid cells to sites of... aid362.table aid362.tbin
363 749 This assay contains in vitro affinity data extracted from the literature for compounds tested against human Src protein. aid363.table aid363.tbin
364 3316 The Scripps Research Institute Assay Overview: Compound cytotoxicity is an important parameter to measure when developing potential human therapeutics. To this end, a high-throughput screening (HTS) campaign was designed to measure the metabolic activity of a suspension cell line after challenge & 48 hours of incubation with test compound. For this primary HTS campaign the human T-cell line, Jurkat clone E6.1, was screened against the NIH "starter" set of 3,316 diverse compounds. All compounds w... aid364.table aid364.tbin
365 206 This is a cell-free, enzymatic assay for inhibition of E. coli ribonuclease H (Rnase H) activity. This enzyme differs from that of HIV-1 in lacking a DNA polymerase domain, and by having a substantially higher rate constant. aid365.table aid365.tbin
366 206 This is a cell-free, enzymatic assay for inhibition of human ribonuclease H1 (Rnase H1) activity. This assay has typically been run in dose-response format as a secondary assay to RNAH. aid366.table aid366.tbin
367 206 This is a cell-free, enzymatic assay for inhibition of HIV-2 ribonuclease H (Rnase H) activity. This assay has typically been run in dose-response format as a secondary assay to RNAH. aid367.table aid367.tbin
368 65222 Cdc25B HTS Developed and Run at the University of Pittsburgh Molecular Screening Center (PMLSC) part of the Molecular Library Screening Center Network (MLSCN). XO1 submission MH078959 Cdc25B catalytic domain in vitro assay, Assay Provider Dr. Marni Brisson, Department of Pharmacology at the University of Pittsburgh. Cdc25 is a protein tyrosine phosphatase that plays a pivotal role in the regulation of the cell cycle. Of the three isoforms that exist (Cdc25A, B, and C), Cdc25A and Cdc25B have b... aid368.table aid368.tbin
369 66 This assay contains in vitro affinity data extracted from the literature for compounds tested against Avian Sarcoma Virus Src protein. aid369.table aid369.tbin
370 1 This assay provides a robust method for measuring cytotoxicity in a readily automated 384-well format. Cell viability is determined using the CellTiter Glo reagent (Promega), which gives a luminescent readout of cellular ATP levels. Using this assay we have determined the cytotoxicity of doxorubicin against human pulmonary artery cells (HPAECs), which are a target of the aerosol delivery of therapeutic agents. Doxorubicin was provided spiked in 30 random locations in a 384-plate provided from Di... aid370.table aid370.tbin
371 3317 Compounds that inhibit tumor cell growth may have cytotoxic or cytostatic effects and vary widely in structure and mechanism of action. Cancer chemotherapeutic drugs inhibit tumor cell growth by disrupting cell division or other mechanisms, which often results in apoptotic cell death. The ability of a compound to inhibit the growth of the human non-small cell lung tumor line, A549, is a preliminary indication of anticancer activity for treating patients with lung cancer. In order to screen a... aid371.table aid371.tbin
372 99840 This is a cell-free, enzymatic assay for inhibition of the ribonuclease H (RNase H) activity of the HIV-1 reverse transcriptase (RT) p66/p51 heterodimer. aid372.table aid372.tbin
373 59805 Grant Proposal Number: 1 R03 MH076533-01 The biology of S1P receptor subtypes: Sphingosine 1-phosphate (S1P) influences heart rate [1] [2], coronary artery caliber, endothelial integrity, lung epithelial integrity [3] and lymphocyte recirculation [1] [4]-[6] through five related high affinity G-protein coupled receptors [7]. Inhibition of lymphocyte recirculation by nonselective S1P receptor agonists produces clinical immunosuppression preventing transplant rejection, but is associated with tran... aid373.table aid373.tbin
374 65239 MKP-1 HTS Developed and Run at the University of Pittsburgh Molecular Screening Center (PMLSC) part of the Molecular Library Screening Center Network (MLSCN). XO1 submission MH-76391 In vitro HTS assay for MKP-1, Assay Provider Dr. John S. Lazo, Department of Pharmacology at the University of Pittsburgh. Introduction: brief background and rationale for HTS. The mitogen-activated protein kinases (MAPK) are members of the signaling cascades for diverse extracellular stimuli that regulate fundamen... aid374.table aid374.tbin
375 10011 Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening Centers Network (MLSCN) Award: 1R03MH076412-01 Multi-drug resistant Mycobacterium tuberculosis is becoming an increased health problem, especially in immunocompromised individuals with HIV. This form of TB is more difficult to treat and as a result has a higher mortality rate. Because of this, the discovery of drugs targeting novel pathways such as... aid375.table aid375.tbin
376 1960 Background and Rationale The HERG (human ether-a-go-go-related) K+ channel is a voltage-gated K+ channel involved in repolarizing cardiac cells after a depolarizing stimulus. Mutations in the HERG channel, as well as certain medications, including various antipsychotics and antihistamines, can cause potentially fatal cardiac arrhythmias (e.g. "torsades de pointes") by prolonging the Q-T interval of the cardiac action potential; this effect is a product of blockage of the HERG channel (1). Blocka... aid376.table aid376.tbin
377 779 Rationale Many mammalian cells express membrane proteins that transport large hydrophobic molecules from cells (1). The best studied of these transporters is the multidrug-resistance transporter (MDR, also know as P-glycoprotein), which transports xenobiotic compounds. A wide range of hydrophobic substances are substrates, including steroids, calcium channel blockers, opioids, anticancer drugs, antibiotics, and antipsychotics. MDR is expressed in brain, liver, kidney, the intestines and other ... aid377.table aid377.tbin
378 4 The apparent binding of compounds to Human AASDHPPT has been measured using differential scanning fluorimetry (DSF) technique. In this approach, the unfolding of the protein is monitored via a fluorescent hydrophobicity-sensing dye: SYPRO orange (Invitrogen). The hyperbolic curve of increase in fluorescence intensity versus temperature shows the unfolding process. The point of inflexion of this trace provides the measured parameter known as Tm. A difference in Tm between a control without the co... aid378.table aid378.tbin
379 1 The apparent binding of compounds to Human AK1 has been measured using differential scanning fluorimetry (DSF) technique. In this approach, the unfolding of the protein is monitored via a fluorescent hydrophobicity-sensing dye: SYPRO orange (Invitrogen). The hyperbolic curve of increase in fluorescence intensity versus temperature shows the unfolding process. The point of inflexion of this trace provides the measured parameter known as Tm. A difference in Tm between a control without the compoun... aid379.table aid379.tbin
380 1 The apparent binding of compounds to Human AK3 has been measured using differential scanning fluorimetry (DSF) technique. In this approach, the unfolding of the protein is monitored via a fluorescent hydrophobicity-sensing dye: SYPRO orange (Invitrogen). The hyperbolic curve of increase in fluorescence intensity versus temperature shows the unfolding process. The point of inflexion of this trace provides the measured parameter known as Tm. A difference in Tm between a control without the compoun... aid380.table aid380.tbin
381 12 The apparent binding of compounds to Human AKR1C4 has been measured using differential scanning fluorimetry (DSF) technique. In this approach, the unfolding of the protein is monitored via a fluorescent hydrophobicity-sensing dye: SYPRO orange (Invitrogen). The hyperbolic curve of increase in fluorescence intensity versus temperature shows the unfolding process. The point of inflexion of this trace provides the measured parameter known as Tm. A difference in Tm between a control without the comp... aid381.table aid381.tbin
382 121 The apparent binding of compounds to Human CLK1 has been measured using differential scanning fluorimetry (DSF) technique. In this approach, the unfolding of the protein is monitored via a fluorescent hydrophobicity-sensing dye: SYPRO orange (Invitrogen). The hyperbolic curve of increase in fluorescence intensity versus temperature shows the unfolding process. The point of inflexion of this trace provides the measured parameter known as Tm. A difference in Tm between a control without the compou... aid382.table aid382.tbin
383 55 The apparent binding of compounds to Human CLK3 has been measured using differential scanning fluorimetry (DSF) technique. In this approach, the unfolding of the protein is monitored via a fluorescent hydrophobicity-sensing dye: SYPRO orange (Invitrogen). The hyperbolic curve of increase in fluorescence intensity versus temperature shows the unfolding process. The point of inflexion of this trace provides the measured parameter known as Tm. A difference in Tm between a control without the compou... aid383.table aid383.tbin
384 29 The apparent binding of compounds to Human CSNK1G2 has been measured using differential scanning fluorimetry (DSF) technique. In this approach, the unfolding of the protein is monitored via a fluorescent hydrophobicity-sensing dye: SYPRO orange (Invitrogen). The hyperbolic curve of increase in fluorescence intensity versus temperature shows the unfolding process. The point of inflexion of this trace provides the measured parameter known as Tm. A difference in Tm between a control without the com... aid384.table aid384.tbin
385 17 The apparent binding of compounds to Human CSNK1G3 has been measured using differential scanning fluorimetry (DSF) technique. In this approach, the unfolding of the protein is monitored via a fluorescent hydrophobicity-sensing dye: SYPRO orange (Invitrogen). The hyperbolic curve of increase in fluorescence intensity versus temperature shows the unfolding process. The point of inflexion of this trace provides the measured parameter known as Tm. A difference in Tm between a control without the com... aid385.table aid385.tbin
386 4 The apparent binding of compounds to Human DIRAS has been measured using differential scanning fluorimetry (DSF) technique. In this approach, the unfolding of the protein is monitored via a fluorescent hydrophobicity-sensing dye: SYPRO orange (Invitrogen). The hyperbolic curve of increase in fluorescence intensity versus temperature shows the unfolding process. The point of inflexion of this trace provides the measured parameter known as Tm. A difference in Tm between a control without the compo... aid386.table aid386.tbin
387 2 The apparent binding of compounds to Human FDPS has been measured using differential scanning fluorimetry (DSF) technique. In this approach, the unfolding of the protein is monitored via a fluorescent hydrophobicity-sensing dye: SYPRO orange (Invitrogen). The hyperbolic curve of increase in fluorescence intensity versus temperature shows the unfolding process. The point of inflexion of this trace provides the measured parameter known as Tm. A difference in Tm between a control without the compou... aid387.table aid387.tbin
388 16 The apparent binding of compounds to Human HPGD has been measured using differential scanning fluorimetry (DSF) technique. In this approach, the unfolding of the protein is monitored via a fluorescent hydrophobicity-sensing dye: SYPRO orange (Invitrogen). The hyperbolic curve of increase in fluorescence intensity versus temperature shows the unfolding process. The point of inflexion of this trace provides the measured parameter known as Tm. A difference in Tm between a control without the compou... aid388.table aid388.tbin
389 25 The apparent binding of compounds to Human PAK4 has been measured using differential scanning fluorimetry (DSF) technique. In this approach, the unfolding of the protein is monitored via a fluorescent hydrophobicity-sensing dye: SYPRO orange (Invitrogen). The hyperbolic curve of increase in fluorescence intensity versus temperature shows the unfolding process. The point of inflexion of this trace provides the measured parameter known as Tm. A difference in Tm between a control without the compou... aid389.table aid389.tbin
390 22 The apparent binding of compounds to Human PAK5 has been measured using differential scanning fluorimetry (DSF) technique. In this approach, the unfolding of the protein is monitored via a fluorescent hydrophobicity-sensing dye: SYPRO orange (Invitrogen). The hyperbolic curve of increase in fluorescence intensity versus temperature shows the unfolding process. The point of inflexion of this trace provides the measured parameter known as Tm. A difference in Tm between a control without the compou... aid390.table aid390.tbin
391 25 The apparent binding of compounds to Human PAK6 has been measured using differential scanning fluorimetry (DSF) technique. In this approach, the unfolding of the protein is monitored via a fluorescent hydrophobicity-sensing dye: SYPRO orange (Invitrogen). The hyperbolic curve of increase in fluorescence intensity versus temperature shows the unfolding process. The point of inflexion of this trace provides the measured parameter known as Tm. A difference in Tm between a control without the compou... aid391.table aid391.tbin
392 13 The apparent binding of compounds to Human PECR has been measured using differential scanning fluorimetry (DSF) technique. In this approach, the unfolding of the protein is monitored via a fluorescent hydrophobicity-sensing dye: SYPRO orange (Invitrogen). The hyperbolic curve of increase in fluorescence intensity versus temperature shows the unfolding process. The point of inflexion of this trace provides the measured parameter known as Tm. A difference in Tm between a control without the compou... aid392.table aid392.tbin
393 106 The apparent binding of compounds to Human PIM1 has been measured using differential scanning fluorimetry (DSF) technique. In this approach, the unfolding of the protein is monitored via a fluorescent hydrophobicity-sensing dye: SYPRO orange (Invitrogen). The hyperbolic curve of increase in fluorescence intensity versus temperature shows the unfolding process. The point of inflexion of this trace provides the measured parameter known as Tm. A difference in Tm between a control without the compou... aid393.table aid393.tbin
394 5 The apparent binding of compounds to Human PTPN14 has been measured using differential scanning fluorimetry (DSF) technique. In this approach, the unfolding of the protein is monitored via a fluorescent hydrophobicity-sensing dye: SYPRO orange (Invitrogen). The hyperbolic curve of increase in fluorescence intensity versus temperature shows the unfolding process. The point of inflexion of this trace provides the measured parameter known as Tm. A difference in Tm between a control without the comp... aid394.table aid394.tbin
395 55 The apparent binding of compounds to Human STK16 has been measured using differential scanning fluorimetry (DSF) technique. In this approach, the unfolding of the protein is monitored via a fluorescent hydrophobicity-sensing dye: SYPRO orange (Invitrogen). The hyperbolic curve of increase in fluorescence intensity versus temperature shows the unfolding process. The point of inflexion of this trace provides the measured parameter known as Tm. A difference in Tm between a control without the compo... aid395.table aid395.tbin
396 3 The apparent binding of compounds to Human YWHAB has been measured using differential scanning fluorimetry (DSF) technique. In this approach, the unfolding of the protein is monitored via a fluorescent hydrophobicity-sensing dye: SYPRO orange (Invitrogen). The hyperbolic curve of increase in fluorescence intensity versus temperature shows the unfolding process. The point of inflexion of this trace provides the measured parameter known as Tm. A difference in Tm between a control without the compo... aid396.table aid396.tbin
397 31 The apparent binding of compounds to Human GEM has been measured using differential scanning fluorimetry (DSF) technique. In this approach, the unfolding of the protein is monitored via a fluorescent hydrophobicity-sensing dye: SYPRO orange (Invitrogen). The hyperbolic curve of increase in fluorescence intensity versus temperature shows the unfolding process. The point of inflexion of this trace provides the measured parameter known as Tm. A difference in Tm between a control without the compoun... aid397.table aid397.tbin
398 7 The apparent binding of compounds to Human HSD11B1 has been measured using differential scanning fluorimetry (DSF) technique. In this approach, the unfolding of the protein is monitored via a fluorescent hydrophobicity-sensing dye: SYPRO orange (Invitrogen). The hyperbolic curve of increase in fluorescence intensity versus temperature shows the unfolding process. The point of inflexion of this trace provides the measured parameter known as Tm. A difference in Tm between a control without the com... aid398.table aid398.tbin
399 5 Assay Overview: This assay was developed to determine the cytotoxic effects of small molecule compounds on Jurkat E6-1 cells in a 384 well format. It is slightly modified from the procedure in AID:364. In this protocol, ATP-lite 1 step (Perkin Elmer) is used to determine cell viability via a luminescent readout of cellular ATP levels. aid399.table aid399.tbin
400 36 STEP, a striatal-enriched protein tyrosine phosphatase, is preferentially expressed in neurons of the basal ganglia, hippocampus, cortex and related structures. Alternative splicing produces various STEP family members, and both cytosolic (STEP 46) and membrane-associated (STEP 61) variants exist. STEP and its non-neuronal homologs like He-PTP have been implicated in the regulation of ERK activity. Both splice products STEP 61 and STEP 46 are phosphorylated in a common kinase-interacting domain (... aid400.table aid400.tbin
401 45 PTPN7 (also named leukocyte PTP (LPTP) and hematopoetic PTP (HEPTP)) is a member of the protein tyrosine phosphatase (PTP) family. It is preferentially expressed in a variety of hematopoietic cells, particularly B and T lymphocytes, and is an early response gene in lymphokine stimulated cells. PTPN7 belongs to a subgroup of PTPs with two other members (PTPN5 and PTPRR) which have a non-catalytic N-terminal kinase interaction motif (KIM). These phosphatases interact with and negatively regulate mi... aid401.table aid401.tbin
402 19 PTPN14 (Pez) is a member of the cytoplamic FERM-domain containing protein tyrosine phosphatase (PTP) family which are characterized by a FERM (Band 4.1, ezrin, radixin, moesin homology) domains at their N-termini, and PTP (protein tyrosine phosphatase) domains at their C-termini. PTPN14 was first cloned in a screen for PTPs expressed in normal breast tissue. It is also expressed in varying amounts in other tissues including kidney, skeletal muscle, lung and placenta. In addition, PTPN14 is highly... aid402.table aid402.tbin
403 15 PTPRJ is a member of the R3 family of protein tyrosine phosphatases. It possesses an extracellular region containing fibronectin type III repeats, a single transmembrane region, and a single intracytoplasmic catalytic domain. PTPRJ is expressed in all hematopoietic lineages in particular in granulocytes and monocytes/macrophages. Weaker expression levels have been described for peripheral blood lymphocytes, including CD4 and CD8-positive T-cell subsets, B cells- in particular memory B cells- plat... aid403.table aid403.tbin
404 34 PTPRK belongs together with PTPRM, PTPRT and PTPRU to the R2A/IIb subfamily of receptor protein tyrosine phosphatases. The protein encoded by this gene is a member of the protein tyrosine phosphatase (PTP) family. PTPRK possesses an extracellular region, a single transmembrane region, and two tandem catalytic domains. The extracellular region contains a meprin-A5 antigen-PTP mu (MAM) domain, an Ig-like domain and four fibronectin type III-like repeats. The purified extracellular domain of PTPRK f... aid404.table aid404.tbin
405 30 The tyrosine receptor phosphatase PTPRR is composed of an extra cellular region, a single transmembrane region, and a single intracellular catalytic domain which classifies this phosphatase as a receptor class 7 family member. The mouse homologue (PTPR-SL) is predominately expressed in brain and was shown to regulate activity and cellular localization of MAP kinases. A 16 amino acid kinase interaction motif (KIM domain) is critical for binding to MAP kinases. PTPRR was shown to potently reduce ER... aid405.table aid405.tbin
406 13 RNA triphosphatase catalyzes the hydrolysis of the gamma-phosphate of nascent pre-mRNA to form a diphosphate end which is subsequently capped with GMP by RNA guanyltransferase and methylated by (guanine-7) methyltransferase to yield mature m-RNA. These three enzymatic activities are present as separate polypeptides in yeasts. Metazoans including humans contain 2 genes: a separate cap methyltransferase (RNA guanine-7-methyltransferase, RNMT), and a bifunctional capping enzyme (RNGTT) encoded by a ... aid406.table aid406.tbin
410 9198 NCGC Assay Overview: The P450 gene superfamily is involved in metabolism and the clearance of xenobiotics. This assay used human CYP1A2 to measure the demethylation of luciferin 6' methyl ether (Luciferin-ME; Promega-Glo) to luciferin. The luciferin is then measured by luminescence after the addition of a luciferase detection regeant. Luciferin-ME concentration in the assay was equal to its Km for CYP1A2. aid410.table aid410.tbin
411 72359 To aid in the interpretation of high-throughput screening (HTS) results derived from luciferase-based assays, we used quantitative HTS, an approach that defines the concentration-response behavior of each library sample, to profile the ATP-dependent luciferase from Photinus pyralis against more than 72 000 samples. Luciferase (PKLight, Cambrex Corporation) was assayed for its ability to generate light using ATP and luciferin as substrates. The ATP concentration in the assay (10 uM) was within t... aid411.table aid411.tbin
414 5 This assay contains in vitro affinity data extracted from the literature for compounds tested against HIV-1 Protease mutant_L10I,L19Q,K20R,E35D,M36I,S37N,M46I,I50V,I54V,I62V,L63P,A71V,V82A,L90M. The target sequence for wild type is as following: PQVTLWQRPL VTIKIGGQLK EALLDTGADD TVLEEMSLPG RWKPKMIGGI GGFIKVRQYD QILIEICGHK AIGTVLVGPT PVNIIGRNLL TQIGCTLNF(chainA), PQVTLWQRPL VTIKIGGQLK EALLDTGADD TVLEEMSLPG RWKPKMIGGI GGFIKVRQYD QILIEICGHK AIGTVLVGPT PVNIIGRNLL TQIGCTLNF(chainB). aid414.table aid414.tbin
417 1420 This assay contains in vitro affinity data extracted from the literature for compounds tested against HIV-1 Protease. The target sequence for wild type is as following: PQVTLWQRPL VTIKIGGQLK EALLDTGADD TVLEEMSLPG RWKPKMIGGI GGFIKVRQYD QILIEICGHK AIGTVLVGPT PVNIIGRNLL TQIGCTLNF(chainA), PQVTLWQRPL VTIKIGGQLK EALLDTGADD TVLEEMSLPG RWKPKMIGGI GGFIKVRQYD QILIEICGHK AIGTVLVGPT PVNIIGRNLL TQIGCTLNF(chainB). aid417.table aid417.tbin
418 5 This assay contains in vitro affinity data extracted from the literature for compounds tested against HIV-1 Protease mutant_I50V. The target sequence for wild type is as following: PQVTLWQRPL VTIKIGGQLK EALLDTGADD TVLEEMSLPG RWKPKMIGGI GGFIKVRQYD QILIEICGHK AIGTVLVGPT PVNIIGRNLL TQIGCTLNF(chainA), PQVTLWQRPL VTIKIGGQLK EALLDTGADD TVLEEMSLPG RWKPKMIGGI GGFIKVRQYD QILIEICGHK AIGTVLVGPT PVNIIGRNLL TQIGCTLNF(chainB). aid418.table aid418.tbin
419 5 This assay contains in vitro affinity data extracted from the literature for compounds tested against HIV-1 Protease mutant_M46I,L63P,A71V,V82F,I84V. The target sequence for wild type is as following: PQVTLWQRPL VTIKIGGQLK EALLDTGADD TVLEEMSLPG RWKPKMIGGI GGFIKVRQYD QILIEICGHK AIGTVLVGPT PVNIIGRNLL TQIGCTLNF(chainA), PQVTLWQRPL VTIKIGGQLK EALLDTGADD TVLEEMSLPG RWKPKMIGGI GGFIKVRQYD QILIEICGHK AIGTVLVGPT PVNIIGRNLL TQIGCTLNF(chainB). aid419.table aid419.tbin
420 3 This assay contains in vitro affinity data extracted from the literature for compounds tested against HIV-1 Protease mutant_Q7K. The target sequence for wild type is as following: PQVTLWQRPL VTIKIGGQLK EALLDTGADD TVLEEMSLPG RWKPKMIGGI GGFIKVRQYD QILIEICGHK AIGTVLVGPT PVNIIGRNLL TQIGCTLNF(chainA), PQVTLWQRPL VTIKIGGQLK EALLDTGADD TVLEEMSLPG RWKPKMIGGI GGFIKVRQYD QILIEICGHK AIGTVLVGPT PVNIIGRNLL TQIGCTLNF(chainB). aid420.table aid420.tbin
421 1408 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] National Institutes of Environmental Health Sciences [NIEHS] National Toxicology Program [NTP] NCGC Assay Overview: We have developed a 1536-well cell-based assay for quantitative high throughput screening (qHTS) against a number of cell lines to determine in vitro cytotoxicity of small molecules. This particular assay uses the BJ cell line from ATCC which is derived from normal human foreskin fibroblas... aid421.table aid421.tbin
422 163857 NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN MLSCN Grant: 1 X01MH78953-01 The 14-3-3 proteins are the prototype for a novel class of protein modules that can recognize phosphoserine/threonine (pS/T)-containing motifs in a variety of signaling proteins. To date, 14-3-3 proteins have been reported to bind more than 200 client proteins. Through these interactions, 14-3-3 proteins play important roles in a wide range of vital regulatory p... aid422.table aid422.tbin
423 10 Each molecule is identified by a unique six digit ADD number assigned internally by the NINDS' Anticonvulsant Screening Program (ASP). The qualitative screening results are represented as a summary of test data generated for any specific compound. Compounds are tested in the maximal electroshock (MES), subcutaneous Metrazol (scMET), and/or 6Hz models. A limited number of animals are utilized at different doses and time points. For the current reporting purposes if any animal is protected from... aid423.table aid423.tbin
424 5 Each molecule is identified by a unique six digit ADD number assigned internally by the NINDS' Anticonvulsant Screening Program (ASP). A summary of quantitative screening results are provided for specific compounds. This data represents an overview of quantitative data generated in the NINDS Anticonvulsant Screening Program. Compounds are tested in several models (e.g., the maximal electroshock (MES), subcutaneous Metrazol (scMET), 6Hz, kindled rat) using 6-8 animals per dose level. More compl... aid424.table aid424.tbin
425 114459 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: XO1 MH076390-01 Assay Provider: Dr. John Lazo, University of Pittsburg MKP-3 (mitogen-activated protein kinase phosphatase-3; EC 3.1.3.48, EC 3.1.3.16), a dual specificity phosphatase negatively regulates ERK1/2 by catalyzing the removal of a phosphoryl group from T... aid425.table aid425.tbin
426 1408 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] National Institutes of Environmental Health Sciences [NIEHS] National Toxicology Program [NTP] NCGC Assay Overview: We have developed a 1536-well cell-based assay for quantitative high throughput screening (qHTS) against a number of cell lines to determine in vitro cytotoxicity of small molecules. This particular assay uses the Jurkat cell line (Clone E6-1) which is derived from the human T cell leukemi... aid426.table aid426.tbin
427 1408 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] National Institutes of Environmental Health Sciences [NIEHS] National Toxicology Program [NTP] NCGC Assay Overview: We have developed a 1536-well cell-based assay for quantitative high throughput screening (qHTS) against a number of cell lines to determine in vitro cytotoxicity of small molecules. This particular assay uses the Hek 293 cell line which is derived from human embryonic kidney cells (transf... aid427.table aid427.tbin
429 63918 Emory Chemistry-Biology Discovery Center Assay Overview: Hsp90 is a chaperon with important roles in maintaining transformation and in elevating the survival and growth potential of cancer cells. Recent evidence suggests additional applications of Hsp90 inhibitors in neurodegenerative diseases, nerve injuries, inflammation and infection. Several natural products that inactivate Hsp90 function have anti-tumor effects in in vitro and in vivo models of cancer. However, due to the role of Hsp90... aid429.table aid429.tbin
430 62662 Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Centers Network (MLSCN) One of the most deadly forms of cancer in humans is pancreatic cancer. Typically few individuals survive beyond 12 months after diagnosis. The oncogene KRAS has been suggested to play a role in this disease. Mutations which activate KRAS are almost always found in pancreatic adenocarcinoma. This assay was developed to determin... aid430.table aid430.tbin
431 62661 Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Centers Network (MLSCN) One of the most deadly forms of cancer in humans is pancreatic cancer. Typically few individuals survive beyond 12 months after diagnosis. The oncogene KRAS has been suggested to play a role in this disease. Mutations which activate KRAS are almost always found in pancreatic adenocarcinoma. This assay was developed to determine... aid431.table aid431.tbin
432 64394 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: XO1 MH077632-01 Assay Provider: Dr. John C. Reed, Sanford-Sanford-Burnham Medical Research Institute Bfl-1, also known as A1 in mice is an anti-apoptotic and NF-kB-inducible member of the Bcl-2 protein family involved in regulation of apoptosis. Due to difficulties ... aid432.table aid432.tbin
433 1408 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] National Institutes of Environmental Health Sciences [NIEHS] National Toxicology Program [NTP] NCGC Assay Overview: We have developed a 1536-well cell-based assay for quantitative high throughput screening (qHTS) against a number of cell lines to determine in vitro cytotoxicity of small molecules. This particular assay uses the HepG2 cell line which is derived from hepatocellular carcinoma. aid433.table aid433.tbin
434 1408 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] National Institutes of Environmental Health Sciences [NIEHS] National Toxicology Program [NTP] NCGC Assay Overview: We have developed a 1536-well cell-based assay for quantitative high throughput screening (qHTS) against a number of cell lines to determine in vitro cytotoxicity of small molecules. This particular assay uses the MRC5 cell line which is derived from normal human lung fibroblasts. aid434.table aid434.tbin
435 1408 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] National Institutes of Environmental Health Sciences [NIEHS] National Toxicology Program [NTP] NCGC Assay Overview: We have developed a 1536-well cell-based assay for quantitative high throughput screening (qHTS) against a number of cell lines to determine in vitro cytotoxicity of small molecules. This particular assay uses the SK-N-SH cell line which is derived from human neuroblastoma. aid435.table aid435.tbin
436 71537 NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Keith D. Wilkinson, Emory University MLSCN Grant: 1 R03 MH076382-01 Assay Overview: BAP1 (BRCA1 associated protein 1) is a member of the Ubiquitin carboxy-terminal hydrolase (UCH) family of deubiquitinating enzymes(DUB). These proteases reverse the conjugation of ubiquitin to targeted proteins. The importance of ubiquitin conjugation in many cellular processes suggests... aid436.table aid436.tbin
437 17 The apparent binding of compounds to Human ITPKC has been measured using differential scanning fluorimetry (DSF) technique. In this approach, the unfolding of the protein is monitored via a fluorescent hydrophobicity-sensing dye: SYPRO orange (Invitrogen). The hyperbolic curve of increase in fluorescence intensity versus temperature shows the unfolding process. The point of inflexion of this trace provides the measured parameter known as Tm. A difference in Tm between a control without the compou... aid437.table aid437.tbin
438 12277 Inflammatory disease requires that endothelial cells detect and amplify a pro-inflammatory signal. This results in the adherence, activation, and ultimately transmigration of lymphocytes at the site of damage. Drugs that block this process would significantly alleviate the symptoms of inflammation. Our assay detects an early event in this process, the nuclear translocation of the transcription factor, NFkappaB. Chronic inflammatory disease is believed to pose a tremendous medical burden in the de... aid438.table aid438.tbin
439 69 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Network: Molecular Library Screening Center Network (MLSCN) Proposal number 1 R03 MH076533-01 External Assay ID: (4.3) S1P3_AG_BLA_1536_EC50 Drun1 Name: S1P3 Agonist Dose-Response Potency Assay The biology of S1P receptor subtypes: Sphingosine 1-phosphate (S1P) influences heart rate [1] [2], coronary artery caliber, endothelial integrity, lung epitheli... aid439.table aid439.tbin
440 24304 University of New Mexico Assay Overview: Assay Support NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph.D. Assay Background and Significance Formyl peptide receptors. The G-protein coupled formylpeptide receptor (FPR) was one of the originating members of the chemoattractant receptor superfamily (Le et al., 2002a; Oppenheim et al., 1991). N-formylated peptides such as fMLF are high affinity FPR ligands that trigger a variety of biologic activities i... aid440.table aid440.tbin
441 24304 University of New Mexico Assay Overview: Assay Support NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph.D. Assay Background and Significance Formyl peptide receptors. The G-protein coupled formylpeptide receptor (FPR) was one of the originating members of the chemoattractant receptor superfamily (Le et al., 2002a; Oppenheim et al., 1991). N-formylated peptides such as fMLF are high affinity FPR ligands that trigger a variety of biologic activities... aid441.table aid441.tbin
442 6 The MKP-1 Phosphatase Dose Response Confirmation and Secondary Selectivity/Specificity Assay has been Developed and Run at the University of Pittsburgh Molecular Screening Center (PMLSC) part of the Molecular Library Screening Center Network (MLSCN). XO1 submission MH-76391 In vitro HTS assay for MKP-1, Assay Provider Dr. John S. Lazo, Department of Pharmacology at the University of Pittsburgh. The 107 protein tyrosine phosphatases (PTPs) found in the human genome are defined by the active site ... aid442.table aid442.tbin
443 6 The Cdc25B Phosphatase Secondary Selectivity Assay has been developed and run at the University of Pittsburgh Molecular Screening Center (PMLSC) part of the Molecular Library Screening Center Network (MLSCN). XO1 submission MH078959 Cdc25B catalytic domain in vitro assay, Assay Provider Dr. Marni Brisson, Department of Pharmacology at the University of Pittsburgh. The 107 protein tyrosine phosphatases (PTPs) found in the human genome are defined by the active site sequence C(X)5R(S/T), with X b... aid443.table aid443.tbin
444 10692 NCGC Assay Overview: The nuclear factor of activated T cells (NFAT) family of transcription factors has been found primarily in most immune system cells and some other non-immune cells. NFAT plays the immunomodulatory role, primarily in T-cell activation and differentiation. NFAT target genes are also involved in the regulation of apoptosis and differentiation in non-immune cell types. The NFAT sequence was engineered to the upstream of the ?-lactamase reporter gene and transfected into Jurkat c... aid444.table aid444.tbin
445 112066 NIH Molecular Libraries Screening Centers Network [MLSCN] NIH Chemical Genomics Center [NCGC] NCGC Assay Overview: Nuclear factor kappa-B (NF-kappa-B) plays an important role in normal B cell development and survival. Diffuse large B cell lymphoma (DLBCL) is the most commonly observed type of non-Hodgkin's lymphoma. Gene expression analysis has identified an activated B cell-like subtype of DLBCL (ABC-DLBCL) which expresses known NF-kappa-B target genes. In ABC-DLBCL cell lines this is due to hi... aid445.table aid445.tbin
446 10692 NCGC Assay Overview: The IL-6/STAT signaling pathway was assayed in ME-180 cervical carcinoma cells by a beta-lactamase reporter gene controlled by a STAT Inducible Element (SIE). This reporter is induced by IL-6 at 40 pM AC50 and inhibited by the pan JAK inhibitor, 2-(1,1-Dimethylethyl)-9-fluoro-3,6-dihydro-7H-benz[h]-imidaz[4,5-f]isoquinolin-7-one, at approximately 10 nM AC50. Plated cells were incubated overnight and on the following day, stimulated with 40 pM IL-6 for 5 hrs. The assay was... aid446.table aid446.tbin
447 68887 NIH Molecular Libraries Screening Centers Network [MLSCN] NIH Chemical Genomics Center [NCGC] Suzanne Walker [Harvard Medical School] NCGC Assay Overview: OGT is the sole enzyme that mediates the attachment of O-GlcNAc groups to serine and threonine residues in the nucleus and cytoplasm of eukaryotic cells, and no specific inhibitors are known. This type of glycosylation is involved in signal transduction and plays a key role in many essential cellular processes. High O-GlcNAc levels have been c... aid447.table aid447.tbin
448 64651 NIH Molecular Libraries Screening Centers Network [MLSCN] NIH Chemical Genomics Center [NCGC] David Williams [Illinois State University] NCGC Assay Overview: Schistosoma mansoni, a causative agent of schistosomiasis, resides in the bloodstream of their host up to 30 years without being eliminated by the host immune attack. One proposed survival mechanism is the production of an antioxidant "firewall" that neutralizes the oxidative assault of the host's immune attack. Schistosoma mansoni peroxire... aid448.table aid448.tbin
449 55727 Grant Proposal Number: 1 R03 MH076533-01 The biology of S1P receptor subtypes: Sphingosine 1-phosphate (S1P) influences heart rate [1] [2], coronary artery caliber, endothelial integrity, lung epithelial integrity [3] and lymphocyte recirculation [1] [4]-[6] through five related high affinity G-protein coupled receptors [7]. Inhibition of lymphocyte recirculation by nonselective S1P receptor agonists produces clinical immunosuppression preventing transplant rejection, but is associated with tran... aid449.table aid449.tbin
450 10949 NIH Molecular Libraries Screening Centers Network [MLSCN] NIH Chemical Genomics Center [NCGC] NCGC Assay Overview: The glucocorticoid receptor (GR) Redistribution assay (BioImage) enables the visualization of GR cytoplasmic to nuclear translocation by the use of a GR-GFP fusion. GR is normally cytosolic, however ligands such as dexamethasone, cause nuclear translocation where the protein binds to response elements and interacts with various co-factors to modulate transcription. Because both fu... aid450.table aid450.tbin
451 8728 NIH Molecular Libraries Screening Centers Network [MLSCN] NIH Chemical Genomics Center [NCGC] NCGC Assay Overview: The glucocorticoid receptor (GR) is a cytoplasmic receptor that belongs to the nuclear receptor family of ligand-dependent transcription factors. Upon glucocorticoid binding to its receptor, the glucocorticoid-GR complex translocates into the nucleus, where it binds as a dimer to specific DNA sequences (glucocorticoid response elements), enhancing or suppressing transcription of a w... aid451.table aid451.tbin
452 6 The MKP-3 Phosphatase Secondary Selectivity Assay has been developed and run at the University of Pittsburgh Molecular Screening Center (PMLSC) part of the Molecular Library Screening Center Network (MLSCN). XO1 submission MH-76390 In vitro HTS assay for MKP-3, Assay Provider Dr. John S. Lazo, Department of Pharmacology at the University of Pittsburgh. The 107 protein tyrosine phosphatases (PTPs) found in the human genome are defined by the active site sequence C(X)5R(S/T), with X being any ami... aid452.table aid452.tbin
453 63332 Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pennsylvania MLSCN Grant: X01-MH076406-01 Human liver cathepsin B (EC 3.4.22.1) is a lysosomal cysteine protease. There has been a recent resurgence of interest in cathepsin B due to research showing that proteolysis by this enzyme is required for the entry and replication of the Ebola and SARS viruses in human cells. Thus cathepsin B inhibitors have p... aid453.table aid453.tbin
454 9984 VCAM-1 (vascular cell adhesion molecule-1) mRNA and protein levels are potently induced by proinflammatory agents (TNFa, IL-1) resulting in enhanced VCAM-1 surface expression in HUVECs (human umbilical vein endothelial cells). VCAM-1 surface expression on HUVECs was evaluated in a cell-based plate reader screen. Small molecule attenuation of VCAM-1 surface expression on pooled HUVECs sub-maximally induced with TNF-alpha was measured by relative fluorescence intensity resulting from VCAM-1 immu... aid454.table aid454.tbin
455 9984 VCAM-1 (vascular cell adhesion molecule-1) mRNA and protein levels are potently induced by proinflammatory agents (TNFa, IL-1) resulting in enhanced VCAM-1 surface expression in HUVECs (human umbilical vein endothelial cells). VCAM-1 surface expression on HUVECs was evaluated in a cell-based plate reader screen. Small molecule enhancement of VCAM-1 surface expression on HUVECs sub-maximally induced with TNF-alpha was measured by relative fluorescence intensity resulting from VCAM-1 immunostain... aid455.table aid455.tbin
456 9984 VCAM-1 (vascular cell adhesion molecule-1) mRNA and protein levels are potently induced by proinflammatory agents (TNFa, IL-1) resulting in enhanced VCAM-1 surface expression in HUVECs (human umbilical vein endothelial cells). VCAM-1 surface expression on HUVECs was evaluated in a cell-based high-content imaging screen. Small molecule attenuation of VCAM-1 surface expression on HUVECs sub-maximally induced with TNF-alpha was measured by relative fluorescence intensity resulting from VCAM-1 imm... aid456.table aid456.tbin
457 9984 VCAM-1 (vascular cell adhesion molecule-1) mRNA and protein levels are potently induced by proinflammatory agents (TNFa, IL-1) resulting in enhanced VCAM-1 surface expression in HUVECs (human umbilical vein endothelial cells). VCAM-1 surface expression on HUVECs was evaluated in a cell-based high-content imaging screen. Small molecule enhancement of VCAM-1 surface expression on HUVECs sub-maximally induced with TNF-alpha was measured by relative fluorescence intensity resulting from VCAM-1 immu... aid457.table aid457.tbin
458 2 Differential static light scattering assay using StarGazer instrument from Harbinger Biotech: Protein samples are heated gradually, with light scattered by aggregated protein recorded as a function of temperature. aid458.table aid458.tbin
459 5 NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN This assay was developed to determine the cytotoxic effects of small molecule compounds on A549 cells in a 96 well format after 48 hrs of exposure to test compounds. In this assay, cell viability is determined using the CellTiter-Blue reagent (Promega). The CellTiter-Blue cell viability assay provides a homogeneous, fluorometric method for estimating the number of viable cells present in mu... aid459.table aid459.tbin
460 57821 Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pennsylvania MLSCN Grant: X01-MH076406-01 Human liver cathepsin L (EC 3.4.22.15) is a lysosomal cysteine protease. Recent interest in cathepsin L has been generated by research showing that proteolysis by this enzyme is required for the entry and replication of the SARS and Ebola viruses in human cells. Thus cathepsin L inhibitors have potential as nov... aid460.table aid460.tbin
461 7113 Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening Centers Network (MLSCN) Her2 (ErbB2) protein is over-expressed in breast and other solid tumors and is often mutated in patients with progressive disease. Her2 is a member of a family of four transmembrane tyrosine kinase receptors. It can form heterodimers with other members of this family to transduce extracellular growth signals via the MAP-Kin... aid461.table aid461.tbin
462 80 Inflammatory disease requires that endothelial cells detect and amplify a pro-inflammatory signal. This results in the adherence, activation, and ultimately transmigration of lymphocytes at the site of damage. Drugs that block this process would significantly alleviate the symptoms of inflammation. Our assay detects an early event in this process, the nuclear translocation of the transcription factor, NFkappaB. Chronic inflammatory disease is believed to pose a tremendous medical burden in the de... aid462.table aid462.tbin
463 56489 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: The Scripps Research Institute, TSRI Network: Molecular Library Screening Center Network (MLSCN) Compound cytotoxicity is an important parameter to measure when developing potential human therapeutics. Previously, in a separate report under Pubchem submission ID 364, we describe a high-throughput screening (HTS) campaign that was designed... aid463.table aid463.tbin
464 706 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: The Scripps Research Institute, TSRI Network: Molecular Library Screening Center Network (MLSCN) Compound cytotoxicity is an important parameter to measure when developing potential human therapeutics. Previously, in a separate report under Pubchem submission ID 364, we describe a high-throughput screening (HTS) campaign that was designed... aid464.table aid464.tbin
465 61609 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: The Burnham Institute Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal number: 1 X01 MH077633-01 Keywords: NF-kB, NF-kappaB, transcription factor, antigen receptor, Protein Kinase C-theta, PMA, ionomycin, luciferase, luminescence Description: Many cellular pathways leading to activation of NF-kB-family transcript... aid465.table aid465.tbin
466 508 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: The Scripps Research Institute, TSRI Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1 R03 MH076533-01 The biology of S1P receptor subtypes Sphingosine 1-phosphate (S1P) influences heart rate (1,2), coronary artery caliber, endothelial integrity, lung epithelial integrity (3) and lymphocyte recirculati... aid466.table aid466.tbin
467 508 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: The Scripps Research Institute, TSRI Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1 R03 MH076533-01 The biology of S1P receptor subtypes Sphingosine 1-phosphate (S1P) influences heart rate (1,2), coronary artery caliber, endothelial integrity, lung epithelial integrity (3) and lymphocyte recirculation... aid467.table aid467.tbin
468 508 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: The Scripps Research Institute, TSRI Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1 R03 MH076533-01 The biology of S1P receptor subtypes Sphingosine 1-phosphate (S1P) influences heart rate (1,2), coronary artery caliber, endothelial integrity, lung epithelial integrity (3) and lymphocyte recirculation... aid468.table aid468.tbin
469 1040 Methylglyoxal (MG) is a highly reactive alpha-oxoaldehyde formed in cells primarily from the triose phosphate intermediates of glycolysis. It is the major physiologic substrate for the enzyme glyoxalase I, which is encoded by the GLOI gene. Together with glyoxalase II and a catalytic amount of GSH, glyoxalase I reduces methylglyoxal to D-lactate. In cells, methylglyoxal reacts almost exclusively with arginine residues to form the major methylglyoxal-derived epitope hydroimidazolone MG-H1 (N -ace... aid469.table aid469.tbin
470 1040 This assay measures the delay in larval development that is induced by a high glucose diet. The assay uses Drosophila embryos grown in 96 well plates containing high glucose food, which extends the normal developmental time from seven days to ten days. Candidate drugs are placed in the food in individual wells and scored for their ability to rescue the effects of the high glucose feeding on the developmental delay. Toxicity is determined by animal viability. aid470.table aid470.tbin
471 1040 This assay measures the expression levels of total IRS-1 in embryonic fibroblasts from PPARgamma2 knock out mice after treatment with different compounds. The assay measures IRS-1 with an ELISA kit from Invitrogen. aid471.table aid471.tbin
472 1040 This assay allows specific, quantitative detection of caspase-3 activity in cellular lysates of pericytes after induction of apoptosis in pericytes exposed to high (25mM) glucose. Caspase 3 activation plays a key role in initiation of cellular events during the early apoptotic process. The assay is based on spectophotometric detection of the chromophore p-nitroaniline (pNA) after cleavage from the labeled substrate DEVD-pNA (1). The free pNA is then quantified using a microtiter plate reader at 4... aid472.table aid472.tbin
473 1040 This ELISA measures the ability of test compounds to accelerate cleavage of the transmembrane protein IAP (integrin associated protein) when cells are grown in culture medium containing high (25mM) glucose. The assay uses a colorimetric assay to detect binding of an antibody whose affinity for IAP is increased following cleavage as a result of exposure of a neoepitope. The extent of antibody binding to cells grown in 25mM glucose in the presence or absence of the test compound is compared with th... aid473.table aid473.tbin
474 1040 This assay measures mitochondrial superoxide after 1 h exposure to 20 mM glucose. The assay uses a fluorescent probe that accumulates in mitochondria and compound activity is determined as a decrease in fluorescence compared to glucose alone. aid474.table aid474.tbin
475 406 Cultures of adult rat sensory neurons are assessed for levels of total axon outgrowth in response to sub-saturating neurotrophic growth factors under conditions of hyperglycemia. aid475.table aid475.tbin
476 30 This assay measures the rate death of cortical neurons in the presence of 15 mM glucose and 100 uM H2O2. We have already established that 15 mM glucose reduces cell viability by 75% under these conditions compared with 5 mM glucose, whereas without the presence of H202, neither 15 mM nor 5 mM glucose reduce viability. aid476.table aid476.tbin
477 1040 This assay measures the growth of endothelial vessel-like structures in a 3D collagen I matrix in response to exogenous stimulators. This assay has been modified to incorporate hyperglycemic injury (presence of 25 mM glucose) that causes endothelial cells to lose their ability to differentiate as they undergo apoptosis. The goal of this screen is to test compounds that protect cells from hyperglycemic injury and promote endothelial cell differentiation. The assay uses in-house developed software... aid477.table aid477.tbin
478 1040 This assay measures changes in calpain activity in heart microvascular endothelial in the presence of 25 mM D-glucose. The assay uses a membrane-permeable fluorescent substrate to measure calpain activity in situ. Calpain is a calcium-dependent protease implicated in diabetes and vascular disease. Hyperglycemia increases calpain activity in the vascular endothelium of the microcirculation with subsequent endothelial dysfunction and vascular inflammation. aid478.table aid478.tbin
479 1040 This assay measures the relative amount of fatty acyl-CoA bound to PPARalpha protein in the presence of 20 mM glucose. This assay utilizes a synthetic fluorescent fatty acyl-CoA analogue (BODIPY C-16-CoA) whose fluorescence intensity increases upon transfer from an aqueous environment (i.e. buffer in a cuvette) to a hydrophobic environment (i.e. ligand binding pocket). The BODIPY C-16-CoA is known to bind to PPARalpha with high affinity, and is displaced from the PPARalpha ligand binding pocket... aid479.table aid479.tbin
480 1040 This assay measures the degree of phosphorylation of c-Src (corresponding to the Tyrosine 418 residue of human c-Src) in human retinal endothelial cells stimulated with VEGF (25 ng/ml) in the presence of pharmacologic inhibitors. After treatment, cells are fixed and incubated with an antibody to phosphorylated c-Src. Cells are subsequently incubated with a secondary HRP-conjugated antibody with a chemiluminescent readout. aid480.table aid480.tbin
481 1040 This assay is designed to ascertain compounds that modulate insulin promoter activity in TRM6, a cell line derived from human fetal islets. The cells have been engineered to express PDX-1, NeuroD1, a tamoxifen-inducible form of E47 (E47MER), and the human insulin promoter driving eGFP. aid481.table aid481.tbin
482 1040 This assay measures the level of phosphorylated ERK1/2 in endothelial cells in the presence of 25 microg/mL S100b. The assay utilizes colorimetry to quantitate phosphorylated ERK1/2 in an in-situ cell-based ELISA. aid482.table aid482.tbin
483 9966 The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under nonpathogenic conditions, this stretch of glutamines range from 2 to 34 repeats, while greater than 37 repeats invariably leads to the disease. In an inducible mouse model of Huntington's disease, we found that abolishing mutant htt expression led to complete recovery of symptomatic mice (Yamamoto et al. 2000). Tightly linked to the symptomatic reversa... aid483.table aid483.tbin
484 196 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: The Scripps Research Institute, TSRI Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1 R03 MH076533-01 The biology of S1P receptor subtypes: Sphingosine 1-phosphate (S1P) influences heart rate [1] [2], coronary artery caliber, endothelial integrity, lung epithelial integrity [3] and lymphocyte recirculati... aid484.table aid484.tbin
485 169238 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Hugh Rosen, TSRI Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1 R03 MH076533-01 Grant Proposal PI: Germana Sanna, TSRI External Assay ID: S1P3_ANT_BLA_1536_%INH Name: Primary Cell-Based High Throughput Assay for Antagonists of the Sphingosine 1-Phosphate Receptor 3 (S1P3) Description: The biology of... aid485.table aid485.tbin
486 92 The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under nonpathogenic conditions, this stretch of glutamines range from 2 to 34 repeats, while greater than 37 repeats invariably leads to the disease. In an inducible mouse model of Huntington's disease, we found that abolishing mutant htt expression led to complete recovery of symptomatic mice (Yamamoto et al. 2000). Tightly linked to the symptomatic reversal wa... aid486.table aid486.tbin
487 12344 Inflammatory disease requires that endothelial cells detect and amplify a pro-inflammatory signal. This results in the adherence, activation, and ultimately transmigration of lymphocytes at the site of damage. Drugs that block this process would significantly alleviate the symptoms of inflammation. Our assay detects an early event in this process, the expression of E-selectin on the surface of endothelial cells, which is essential for lymphocyte adherence. Assay Principle. Cytokines such as tumor... aid487.table aid487.tbin
488 62108 One of our goals at the Penn Center for Molecular Discovery (PCMD) is to develop capabilities for screening multiple members of target classes, for example cysteine and serine proteases. Many HTS labs focus effort on one target of interest within a class due to resource and time constraints. A few compounds are then tested for selectivity against additional target class members during the hit-to-lead process. Our goal is to test the entire MLSCN compound library against multiple cysteine and seri... aid488.table aid488.tbin
489 96 This assay contains in vitro affinity data extracted from the literature for compounds tested against Influenza B virus (strain B/Lee/40). aid489.table aid489.tbin
490 14 This assay contains in vitro affinity data extracted from the literature for compounds tested against Influenza A virus (strain A/Tokyo/3/67 H2N2). aid490.table aid490.tbin
491 64 This assay contains in vitro affinity data extracted from the literature for compounds tested against Influenza A virus (strain A/Singapore/1/57 H2N2). aid491.table aid491.tbin
492 37 This assay contains in vitro affinity data extracted from the literature for compounds tested against Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(H1N1)). aid492.table aid492.tbin
493 53 This assay contains in vitro affinity data extracted from the literature for compounds tested against Influenza A virus (A/Puerto Rico/8/34(H1N1)). aid493.table aid493.tbin
494 78 This assay contains in vitro affinity data extracted from the literature for compounds tested against Influenza A virus (A/tern/Australia/G70C/1975(H11N9)). aid494.table aid494.tbin
495 8 This assay contains in vitro affinity data extracted from the literature for compounds tested against Influenza A Subtype N2. aid495.table aid495.tbin
496 50 This assay contains in vitro affinity data extracted from the literature for compounds tested against Influenza B virus (strain B/Victoria/3/85). aid496.table aid496.tbin
497 2 This assay contains in vitro affinity data extracted from the literature for compounds tested against Influenza A virus (A/Shangdong/9/1993(H3N2)). aid497.table aid497.tbin
498 10 This assay contains in vitro affinity data extracted from the literature for compounds tested against Influenza B virus. aid498.table aid498.tbin
499 19 This assay contains in vitro affinity data extracted from the literature for compounds tested against Influenza B virus (B/Memphis/3/93). aid499.table aid499.tbin
500 2 This assay contains in vitro affinity data extracted from the literature for compounds tested against Influenza B virus (B/Nashville/6/89). aid500.table aid500.tbin
501 62029 Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pennsylvania MLSCN Grant: X01-MH076406-01 Human cathepsin S (EC 3.4.22.27) is a lysosomal cysteine protease that is expressed in antigen-presenting cells, especially dendritic cells, B-cells and macrophages. Cathepsin S plays a key role in the processing of antigenic peptides for presentation by MHC Class II molecules on the surface of antigen-presenti... aid501.table aid501.tbin
502 1 The apparent binding of compounds to Human AKR7A3 has been measured using differential scanning fluorimetry (DSF) technique. In this approach, the unfolding of the protein is monitored via a fluorescent hydrophobicity-sensing dye: SYPRO orange (Invitrogen). The hyperbolic curve of increase in fluorescence intensity versus temperature shows the unfolding process. The point of inflexion of this trace provides the measured parameter known as Tm. A difference in Tm between a control without the comp... aid502.table aid502.tbin
503 2 The apparent binding of compounds to Human RGS18 has been measured using differential scanning fluorimetry (DSF) technique. In this approach, the unfolding of the protein is monitored via a fluorescent hydrophobicity-sensing dye: SYPRO orange (Invitrogen). The hyperbolic curve of increase in fluorescence intensity versus temperature shows the unfolding process. The point of inflexion of this trace provides the measured parameter known as Tm. A difference in Tm between a control without the compo... aid503.table aid503.tbin
504 3 The apparent binding of compounds to Human RAC3 has been measured using differential scanning fluorimetry (DSF) technique. In this approach, the unfolding of the protein is monitored via a fluorescent hydrophobicity-sensing dye: SYPRO orange (Invitrogen). The hyperbolic curve of increase in fluorescence intensity versus temperature shows the unfolding process. The point of inflexion of this trace provides the measured parameter known as Tm. A difference in Tm between a control without the compou... aid504.table aid504.tbin
505 67 The apparent binding of compounds to Human PIM2 has been measured using differential scanning fluorimetry (DSF) technique. In this approach, the unfolding of the protein is monitored via a fluorescent hydrophobicity-sensing dye: SYPRO orange (Invitrogen). The hyperbolic curve of increase in fluorescence intensity versus temperature shows the unfolding process. The point of inflexion of this trace provides the measured parameter known as Tm. A difference in Tm between a control without the compou... aid505.table aid505.tbin
506 16 The apparent binding of compounds to Human NEK2 has been measured using differential scanning fluorimetry (DSF) technique. In this approach, the unfolding of the protein is monitored via a fluorescent hydrophobicity-sensing dye: SYPRO orange (Invitrogen). The hyperbolic curve of increase in fluorescence intensity versus temperature shows the unfolding process. The point of inflexion of this trace provides the measured parameter known as Tm. A difference in Tm between a control without the compou... aid506.table aid506.tbin
507 1 The apparent binding of compounds to Human MGC4172 has been measured using differential scanning fluorimetry (DSF) technique. In this approach, the unfolding of the protein is monitored via a fluorescent hydrophobicity-sensing dye: SYPRO orange (Invitrogen). The hyperbolic curve of increase in fluorescence intensity versus temperature shows the unfolding process. The point of inflexion of this trace provides the measured parameter known as Tm. A difference in Tm between a control without the com... aid507.table aid507.tbin
508 1 The apparent binding of compounds to Human MAT2A has been measured using differential scanning fluorimetry (DSF) technique. In this approach, the unfolding of the protein is monitored via a fluorescent hydrophobicity-sensing dye: SYPRO orange (Invitrogen). The hyperbolic curve of increase in fluorescence intensity versus temperature shows the unfolding process. The point of inflexion of this trace provides the measured parameter known as Tm. A difference in Tm between a control without the compo... aid508.table aid508.tbin
509 2 The apparent binding of compounds to Human HSD17B4 has been measured using differential scanning fluorimetry (DSF) technique. In this approach, the unfolding of the protein is monitored via a fluorescent hydrophobicity-sensing dye: SYPRO orange (Invitrogen). The hyperbolic curve of increase in fluorescence intensity versus temperature shows the unfolding process. The point of inflexion of this trace provides the measured parameter known as Tm. A difference in Tm between a control without the com... aid509.table aid509.tbin
510 5 The apparent binding of compounds to Human DHRS6 has been measured using differential scanning fluorimetry (DSF) technique. In this approach, the unfolding of the protein is monitored via a fluorescent hydrophobicity-sensing dye: SYPRO orange (Invitrogen). The hyperbolic curve of increase in fluorescence intensity versus temperature shows the unfolding process. The point of inflexion of this trace provides the measured parameter known as Tm. A difference in Tm between a control without the compo... aid510.table aid510.tbin
511 2 The apparent binding of compounds to Human CENTG1 has been measured using differential scanning fluorimetry (DSF) technique. In this approach, the unfolding of the protein is monitored via a fluorescent hydrophobicity-sensing dye: SYPRO orange (Invitrogen). The hyperbolic curve of increase in fluorescence intensity versus temperature shows the unfolding process. The point of inflexion of this trace provides the measured parameter known as Tm. A difference in Tm between a control without the comp... aid511.table aid511.tbin
512 9 The apparent binding of compounds to Human CBR3 has been measured using differential scanning fluorimetry (DSF) technique. In this approach, the unfolding of the protein is monitored via a fluorescent hydrophobicity-sensing dye: SYPRO orange (Invitrogen). The hyperbolic curve of increase in fluorescence intensity versus temperature shows the unfolding process. The point of inflexion of this trace provides the measured parameter known as Tm. A difference in Tm between a control without the compou... aid512.table aid512.tbin
513 23 The apparent binding of compounds to Human CSNK1G1 has been measured using differential scanning fluorimetry (DSF) technique. In this approach, the unfolding of the protein is monitored via a fluorescent hydrophobicity-sensing dye: SYPRO orange (Invitrogen). The hyperbolic curve of increase in fluorescence intensity versus temperature shows the unfolding process. The point of inflexion of this trace provides the measured parameter known as Tm. A difference in Tm between a control without the com... aid513.table aid513.tbin
514 90 The apparent binding of compounds to Human SLK has been measured using differential scanning fluorimetry (DSF) technique. In this approach, the unfolding of the protein is monitored via a fluorescent hydrophobicity-sensing dye: SYPRO orange (Invitrogen). The hyperbolic curve of increase in fluorescence intensity versus temperature shows the unfolding process. The point of inflexion of this trace provides the measured parameter known as Tm. A difference in Tm between a control without the compoun... aid514.table aid514.tbin
515 35 The apparent binding of compounds to Human MAP3K5 has been measured using differential scanning fluorimetry (DSF) technique. In this approach, the unfolding of the protein is monitored via a fluorescent hydrophobicity-sensing dye: SYPRO orange (Invitrogen). The hyperbolic curve of increase in fluorescence intensity versus temperature shows the unfolding process. The point of inflexion of this trace provides the measured parameter known as Tm. A difference in Tm between a control without the comp... aid515.table aid515.tbin
516 2 The apparent binding of compounds to Human BLVRA has been measured using differential scanning fluorimetry (DSF) technique. In this approach, the unfolding of the protein is monitored via a fluorescent hydrophobicity-sensing dye: SYPRO orange (Invitrogen). The hyperbolic curve of increase in fluorescence intensity versus temperature shows the unfolding process. The point of inflexion of this trace provides the measured parameter known as Tm. A difference in Tm between a control without the compo... aid516.table aid516.tbin
517 93 Inflammatory disease requires that endothelial cells detect and amplify a pro-inflammatory signal. This results in the adherence, activation, and ultimately transmigration of lymphocytes at the site of damage. Drugs that block this process would significantly alleviate the symptoms of inflammation. Our assay detects an early event in this process, the expression of E-selectin on the surface of endothelial cells, which is essential for lymphocyte adherence. Assay Principle. Cytokines such as tum... aid517.table aid517.tbin
518 64394 Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: MH077602-01 Alkaline phosphatase (EC 3.1.3.1) (APs) catalyze the hydrolysis of phosphomonoesters, releasing phosphate and alcohol. APs are dimeric enzymes found in the most organism. In human, four isozymes of APs have been identified. Three isozymes are tissue-specific and the fourth one is tissue-nonsepeci... aid518.table aid518.tbin
519 272 University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph.D. Assay Background and Significance Formyl peptide receptors. The G-protein coupled formylpeptide receptor (FPR) was one of the originating members of the chemoattractant receptor superfamily (Le et al., 2002a; Oppenheim et al., 1991). N-formylated peptides such as fMLF are high affinity FPR ligands that trigger a variety of biologic activities... aid519.table aid519.tbin
520 272 University of New Mexico Assay Overview Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph.D. Assay Background and Significance Formyl peptide receptors. The G-protein coupled formylpeptide receptor (FPR) was one of the originating members of the chemoattractant receptor superfamily (Le et al., 2002a; Oppenheim et al., 1991). N-formylated peptides such as fMLF are high affinity FPR ligands that trigger a variety of biologic activities ... aid520.table aid520.tbin
521 114391 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: XO1 MH077603-01 Assay Provider: Dr. Tomas Mustelin, Sanford-Burnham Medical Research Institute Protein tyrosine phosphatases (PTPs), working with protein tyrosine kinases (PTKs), control the phosphorylation state of many proteins in the signal transduction pathways.... aid521.table aid521.tbin
522 64925 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Orphagen Pharmaceuticals, San Diego, CA Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1X01-MH077624-01 External Assay ID: SF1_AG_LUMI_1536_%ACT Name: Primary Cell-based High Throughput Screening assay for activators of the nuclear receptor Steroidogenic Factor 1 (SF-1) Description: Nuclear receptors ... aid522.table aid522.tbin
523 27 Human liver cathepsin B (EC 3.4.22.1) is a lysosomal cysteine protease. There has been a recent resurgence of interest in cathepsin B due to research showing that proteolysis by this enzyme is required for the entry and replication of the Ebola and SARS viruses in human cells. Thus cathepsin B inhibitors have potential as novel anti-viral agents. Cathepsin B is also implicated in cancer progression. Upregulation and secretion of this enzyme occurs in many types of tumors and correlates positive... aid523.table aid523.tbin
524 64925 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Scripps Florida Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: NA External Assay ID: PKA_INH_Lumi_1536_%INH Name: Primary biochemical high-throughput screening assay for inhibitors of protein kinase A (PKA) activity Description: PKA is an ubiquitous serine/threonine protein kinase and belongs to the... aid524.table aid524.tbin
525 64925 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Orphagen Pharmaceuticals, San Diego, CA Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1X01-MH077624-01 Description: Nuclear receptors are a family of small molecule and hormone-regulated transcription factors that share conserved DNA-binding and ligand-binding domains. Small pharmacological compounds a... aid525.table aid525.tbin
526 67063 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] NCGC Assay Overview: The ubiquitin-proteasome pathway is present within all eukaryotic cells and plays roles in normal cellular functions and disease-related dysfunction. Proteins are tagged with a poly-ubiquitin chain that targets them for the proteasome, a multimeric protease, that degrades the protein into peptides and free ubiquitin. The proteasome has a key role in regulating cell cycle and growth ... aid526.table aid526.tbin
527 24085 University of New Mexico Assay Overview Assay Support 1X01MH078952-01 Small Molecule Inhibition of Staphylococcus aureus Virulence PI: Hattie D. Gresham, Ph.D. Background and Significance Quorum sensing is a cell-to-cell communication system that permits members of a bacterial population to coordinate their behavior dependent on cell density (for review see ref. Waters and Bassler, 2005). The mediators of this communication system are small, diffusible pheromones or autoinducers that are se... aid527.table aid527.tbin
528 23786 Assay Support: 1 X01 MH077638-01 MLSCN Assay for Allosteric Ligands for the VLA-4 Integrin PI: SKLAR, LARRY A University of New Mexico Assay Overview: This is a high throughput flow cytometry cell-based assay to identify small molecules that bind to an allosteric regulatory site on the integrin alpha-4-beta-1 heterodimer very late antigen (VLA-4). Such sites have the potential to control the affinity and conformation of integrins. Affinity states have been directly evaluated by a peptide ligan... aid528.table aid528.tbin
529 23786 Assay Support: 1 X01 MH077638-01 MLSCN Assay for Allosteric Ligands for the VLA-4 Integrin PI: SKLAR, LARRY A University of New Mexico Assay Overview: This is a high throughput flow cytometry cell-based assay to identify small molecules that bind to an allosteric regulatory site on the integrin alpha-4-beta-1 heterodimer very late antigen (VLA-4). Such sites have the potential to control the affinity and conformation of integrins. Affinity states have been directly evaluated by a peptide ligan... aid529.table aid529.tbin
530 11014 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] NCGC Assay Overview: The c-jun N-terminal kinase (JNK) family are serine/threonine protein kinases that phosphorylate c-jun, a component of the transcription factor protein-1 (AP-1). JNK kinases are members of the mitogen-activated protein kinase family including the extracellular regulated kinases and p38 kinases. Three JNK genes (JNK 1, 2, and 3) have been identified in humans so far. JNK1 and JNK2 h... aid530.table aid530.tbin
538 62137 Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsylvania MLSCN Grant: X01-MH076406-01 Target Complement factor C1s (EC 3.4.21.42) is a trypsin-like serine protease that is activated in one of the first steps in the classical complement cascade. Despite the essential role for the complement cascade in immune defense, unregulated activation leading to acute inflammation and tissue damage has been im... aid538.table aid538.tbin
539 65417 Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening Centers Network (MLSCN) Assay Provider: Dr. Thomas S. Leyh, Albert Einstein College of Medicine of Yeshiva University Streptococcus pneumoniae takes the lives of nearly 4,000 people daily and antibiotic resistant strains are becoming an increasing problem. Because of this, the discovery of drugs targeting novel pathways has become increasingly impo... aid539.table aid539.tbin
540 1408 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] National Institutes of Environmental Health Sciences [NIEHS] National Toxicology Program [NTP] NCGC Assay Overview: We have developed a 1536-well cell-based assay for quantitative high throughput screening (qHTS) against a number of cell lines to determine in vitro cytotoxicity of small molecules. This particular assay uses the N2a cell line which is derived from mouse neuroblastoma. aid540.table aid540.tbin
541 1408 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] National Institutes of Environmental Health Sciences [NIEHS] National Toxicology Program [NTP] NCGC Assay Overview: We have developed a 1536-well cell-based assay for quantitative high throughput screening (qHTS) against a number of cell lines to determine in vitro cytotoxicity of small molecules. This particular assay uses the NIH 3T3 fibroblast cell line which is established from NIH Swiss mouse embry... aid541.table aid541.tbin
542 1408 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] National Institutes of Environmental Health Sciences [NIEHS] National Toxicology Program [NTP] NCGC Assay Overview: We have developed a 1536-well cell-based assay for quantitative high throughput screening (qHTS) against a number of cell lines to determine in vitro cytotoxicity of small molecules. This particular assay uses the HUV-EC-C cell line which is derived from normal human vascular endothelial c... aid542.table aid542.tbin
543 1408 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] National Institutes of Environmental Health Sciences [NIEHS] National Toxicology Program [NTP] NCGC Assay Overview: We have developed a 1536-well cell-based assay for quantitative high throughput screening (qHTS) against a number of cell lines to determine in vitro cytotoxicity of small molecules. This particular assay uses the H-4-II-E cell line which is derived from rat hepatoma. aid543.table aid543.tbin
544 1408 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] National Institutes of Environmental Health Sciences [NIEHS] National Toxicology Program [NTP] NCGC Assay Overview: We have developed a 1536-well cell-based assay for quantitative high throughput screening (qHTS) against a number of cell lines to determine in vitro cytotoxicity of small molecules. This particular assay uses the SH-SY5Y cell line which is derived from human neuroblastoma. aid544.table aid544.tbin
545 1408 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] National Institutes of Environmental Health Sciences [NIEHS] National Toxicology Program [NTP] NCGC Assay Overview: We have developed a 1536-well cell-based assay for quantitative high throughput screening (qHTS) against a number of cell lines to determine in vitro cytotoxicity of small molecules. This particular assay uses the renal proximal tubule cells which are derived from normal kidney cells fresh... aid545.table aid545.tbin
546 1408 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] National Institutes of Environmental Health Sciences [NIEHS] National Toxicology Program [NTP] NCGC Assay Overview: We have developed a 1536-well cell-based assay for quantitative high throughput screening (qHTS) against a number of cell lines to determine in vitro cytotoxicity of small molecules. This particular assay uses the kidney mesenchymal cell line which is derived from normal human renal glomer... aid546.table aid546.tbin
547 1280 NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN MLSCN Grant Number: none Escherichia coli DnaK, a homolog of heat shock protein 70, has been shown to protect denature proteins from aggregation and promote their refolding by ATP hydrolysis. DnaK, along with its two co-cohort proteins DnaJ and GrpE, forms a microbial chaperone system that shelters microorganisms from environmental stresses such as temperature, osmotic, and pH changes, carb... aid547.table aid547.tbin
548 94 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Scripps Florida Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: NA PKA is an ubiquitous serine/threonine protein kinase and belongs to the AGC kinase family. It has several functions in the cell, including regulation of immune response [1], transcription [2], cell cycle and apoptosis [3]. PKA is a cAMP de... aid548.table aid548.tbin
549 320 Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening Centers Network (MLSCN) Assay Provider: Dr. Thomas S. Leyh, Albert Einstein College of Medicine of Yeshiva University Streptococcus pneumoniae takes the lives of nearly 4,000 people daily and antibiotic resistant strains are becoming an increasing problem. Because of this, the discovery of drugs targeting novel pathways has become increasingly impo... aid549.table aid549.tbin
550 320 Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening Centers Network (MLSCN) Assay Provider: Dr. Thomas S. Leyh, Albert Einstein College of Medicine of Yeshiva University Streptococcus pneumoniae takes the lives of nearly 4,000 people daily and antibiotic resistant strains are becoming an increasing problem. Because of this, the discovery of drugs targeting novel pathways has become increasingly impo... aid550.table aid550.tbin
551 118 The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibitors screened at the PMLSC AID #374.The MKP-1 Phosphatase HTS Dose Response Confirmation Assay has been Developed and Run at the University of Pittsburgh Molecular Screening Center (PMLSC) part of the Molecular Library Screening Center Network (MLSCN). XO1 submission MH-76391 In vitro HTS assay for MKP-1, Assay Provider Dr. John S. Lazo, Department of ... aid551.table aid551.tbin
552 19644 Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening Centers Network (MLSCN) Assay Provider: Dr. Kim Lewis, Northeastern University Award: X01MH077622 There is considerable unmet need for novel antibiotics due to the rise of multi-drug resistant pathogens and the threat of engineered bioweapons. There is also an urgent need for novel antibiotics that can act against slow-growing or dormant pathogens a... aid552.table aid552.tbin
553 118 The in vitro MKP-3 Phosphatase dose response hit/probe assessment assay has been developed and run at the University of Pittsburgh Molecular Screening Center (PMLSC) part of the Molecular Library Screening Center Network (MLSCN)to follow up on actives identified in the MKP-3 HTS run at (Burham Institute) SDCCG center AID # 425 and the MKP-1 HTS run at the PMLSC AID # 374. XO1 submission MH-76390 In vitro HTS assay for MKP-3, Assay Provider Dr. John S. Lazo, Department of Pharmacology at the Unive... aid553.table aid553.tbin
555 65267 Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening Centers Network (MLSCN) Assay Provider: Dr. Thomas S. Leyh, Albert Einstein College of Medicine of Yeshiva University Streptococcus pneumoniae takes the lives of nearly 4,000 people daily and antibiotic resistant strains are becoming an increasing problem. Because of this, the discovery of drugs targeting novel pathways has become increasingly impo... aid555.table aid555.tbin
556 65410 Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening Centers Network (MLSCN) Assay Provider: Dr. Thomas S. Leyh, Albert Einstein College of Medicine of Yeshiva University Streptococcus pneumoniae takes the lives of nearly 4,000 people daily and antibiotic resistant strains are becoming an increasing problem. Because of this, the discovery of drugs targeting novel pathways has become increasingly impo... aid556.table aid556.tbin
557 318 Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening Centers Network (MLSCN) Assay Provider: Dr. Thomas S. Leyh, Albert Einstein College of medicine of Yeshiva University Streptococcus pneumonia (SP) takes the lives of nearly 4,000 people daily and antibiotic resistant strains are becoming an increasing problem. Because of this, the discovery of drugs targeting novel pathways such as the mevalonate p... aid557.table aid557.tbin
558 58 The MKP-1 dose response Active/Probe assessment-DTT assay has been developed to evaluate the effects of increased DTT concentration on the MKP-1 inhibition of actives identified in the MH-76391 In vitro MKP-1 HTS assay AID #374, and subsequently confirmed in the HTS dose response confirmation assay AID #551. Protein tyrosine phosphatases have an active site cysteine that is very susceptible to inactivation by oxidation. In addition, a number of compounds such as quinone-like compounds are capabl... aid558.table aid558.tbin
559 62237 Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Arkady Mustaev, Public Health Research Institute, Newark, NJ MLSCN Grant: RO3 MH076325-01 DNA-directed RNA polymerase (EC 2.7.7.6) is responsible for bacterial RNA synthesis and as such is essential for bacterial gene expression. Owing to its central role in DNA transcription, the enzyme RNA polymerase is the target of various natural antibiotics. The best known is rifampicin, a pot... aid559.table aid559.tbin
560 64925 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Orphagen Pharmaceuticals, San Diego, CA Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1X01-MH077624-01 External Assay ID: RORA_AG_Lumi_1536_%ACT Name: Primary Cell-based High Throughput Screening assay for activators of the Retinoic Acid Receptor-related orphan receptor A (RORA) Description: Nuclear r... aid560.table aid560.tbin
561 64925 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Orphagen Pharmaceuticals, San Diego, CA Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1X01-MH077624-01 Nuclear receptors are a family of small molecule and hormone-regulated transcription factors that share conserved DNA-binding and ligand-binding domains. Small pharmacological compounds able to bind ... aid561.table aid561.tbin
562 58 The MKP-1 dose response Active/Probe assessment-Catalase assay has been developed to evaluate the effects of adding 100 U/mL of Catalase on the MKP-1 inhibition of actives identified in the MH-76391 In vitro MKP-1 HTS assay AID #374, and subsequently confirmed in the HTS dose response confirmation assay AID #551. Protein tyrosine phosphatases have an active site cysteine that is very susceptible to inactivation by oxidation. In addition, a number of compounds such as quinone-like compounds are ca... aid562.table aid562.tbin
563 58 The MKP-1 dose response assay Active/Probe Assessment Assay - Reproducibility testing has been developed to test the reproducibility of MKP-1 inhibitors identified in the MH-76391 In vitro HTS assay for MKP-1 inhibitors AID #374 and subsequently confirmed in the MKP-1 HTS dose response confirmation assay AID # 551.The MKP-1 Phosphatase dose response assay Active/Probe Assessment Assay - Reproducibility testing has been Developed and Run at the University of Pittsburgh Molecular Screening Center (... aid563.table aid563.tbin
564 58 The MKP-3 dose response Active/Probe assessment-Catalase assay has been developed to evaluate the effects of adding 100 U/mL of Catalase on the MKP-3 inhibition of actives identified in the MKP-3 HTS run at (Burham Institute) SDCCG center AID 425 and the MKP-1 HTS run at the PMLSC AID 374, and subsequently confirmed in the MKP-3 & MKP-1 HTS dose response confirmation assays AID's 553 & 551. Protein tyrosine phosphatases have an active site cysteine that is very susceptible to inactivation by oxid... aid564.table aid564.tbin
565 65239 The HIV-1 RT-RNase H assay was submitted by Dr. Michael Parniak of the University of Pittsburgh, MLSCN XO1 MH077605, and the HTS was developed and screened at the University of Pittsburgh Molecular Library Screening Center (PMLSC). The rapid development of HIV-1 resistance to antiretroviral agents is a major clinical problem. This troubling phenomenon has been observed with each class of current clinically used anti-HIV agents. An increasingly serious clinical problem is the emergence of multi-d... aid565.table aid565.tbin
566 58 The MKP-3 dose response assay Active/Probe Assessment Assay - Reproducibility testing has been developed to test the reproducibility of MKP-3 inhibitors of actives identified in the MKP-3 HTS run at (Burham Institute) SDCCG center AID 425 and the MKP-1 HTS run at the PMLSC AID 374, and subsequently confirmed in the MKP-3 & MKP-1 HTS dose response confirmation assays AID's 553 & 551. The in vitro MKP-3 Phosphatase dose response hit/probe assessment reproducibility testing assay has been developed ... aid566.table aid566.tbin
567 64925 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Scripps Florida Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1 R03 MH076345-01 External Assay ID: 5HT1a_AG_BLA_1536_%ACT Name: Primary HTS assay for 5-Hydroxytryptamine (Serotonin) Receptor Subtype 1a (5HT1a) agonists Description: Widely expressed in the human brain, 5-hydroxytryptamine (5-HT, seroto... aid567.table aid567.tbin
568 82559 Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Centers Network (MLSCN) Over-expression of molecular chaperones occurs commonly in cancers and provides protection from a wide variety of cellular stresses, both endogenous and iatrogenic. Molecular chaperones also play important roles in maintaining the activity of several signal-transducing proteins and transcriptions factors involved in malignant tr... aid568.table aid568.tbin
569 84 The Cdc25B Phosphatase HTS dose response confirmation has been developed to confirm actives identified in the Cdc25B HTS AID 368, screened at the University of Pittsburgh Molecular Screening Center (PMLSC) part of the Molecular Library Screening Center Network (MLSCN). XO1 submission MH078959 Cdc25B catalytic domain in vitro assay, Assay Provider Dr. Marni Brisson, Department of Pharmacology at the University of Pittsburgh. The 107 protein tyrosine phosphatases (PTPs) found in the human genome ... aid569.table aid569.tbin
570 64925 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Florida Atlantic University Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1 X01 MH078948-01 Osteoarthritis (OA) is an age-related debilitating disease affecting more than 80% of people over the age of 75, caused by the destruction of articular cartilage. The major components of the cartilage extracellul... aid570.table aid570.tbin
571 64925 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Albany Medical College Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1 R03 MH076345-01 External Assay ID: 5HT1E_ANT_BLA_1536_%INH Name: Primary Cell Based High Throughput Screening Assay for Antagonists of the 5-Hydroxytryptamine Receptor Subtype 1E (5HT1E) Description: The neurotransmitter, serotoni... aid571.table aid571.tbin
572 9033 Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening Centers Network (MLSCN) (Proposal number 1R03MH076408-012) Submitted by Gabriela Chiosis of the Memorial Sloan-Kettering Institute for Cancer Research Compounds that inhibit tumor cell growth may have cytotoxic or cytostatic effects and vary widely in structure and mechanism of action. Cancer chemotherapeutic drugs inhibit tumor cell growth by disru... aid572.table aid572.tbin
573 65120 Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening Centers Network (MLSCN) Assay Provider: Dr. Kim Lewis, Northeastern University Award: X01MH077622 There is considerable unmet need for novel antibiotics due to the rise of multi-drug resistant pathogens and the threat of engineered bioweapons. There is also an urgent need for novel antibiotics that can act against slow-growing or dormant pathogens ... aid573.table aid573.tbin
574 64925 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Albany Medical College Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1 R03 MH076345-01 The neurotransmitter, serotonin (5HT, 5-hydroxytryptamine) is important in a large number of neurological behaviors including of mood[1], appetite[2], cognition[3], pain[4] and memory[5]. The serotonin receptors are ... aid574.table aid574.tbin
575 9993 Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening Centers Network (MLSCN) Assay Provider: Dr. Zhican Qu, Southern Research Institute Angiogenesis is a process of new blood vessel formation. Endothelial cell proliferation is an essential step during the angiogenesis process and is involved in many human diseases including cancer, diabetic retinopathy, and rheumatoid arthritis. Targeting endothelia... aid575.table aid575.tbin
576 23785 Assay Support: 1 X01 MH077638-01 MLSCN Assay for Allosteric Ligands for the VLA-4 Integrin PI: SKLAR, LARRY A University of New Mexico Assay Overview: This is a high throughput flow cytometry cell-based assay to identify auto-fluorescence of small molecules. The fluorescence measured is from the compounds potential internal and external association with cells. This screen establishes a baseline used during screening of allosteric regulators of the integrin alpha-4-beta-1 heterodimer very late... aid576.table aid576.tbin
577 65239 The HTS assay to identify Inhibitors of West Nile Virus NS2bNS3 Proteinase was proposed by Dr Alex Strongin of the Burnham Institute XO1-MH077601, and was developed and screened at the University of Pittsburgh Molecular Library Screening Center part of the Molecular Library Screening Center Network (MLSCN). Extracted from the XO1-MH077601 Proposal submitted by Dr. Alex Strongin, Burnham Institute: West Nile virus, a member of the Flaviviridae family, was first isolated in 1937 in the West Nile... aid577.table aid577.tbin
578 960 This assay contains in vitro affinity data extracted from the literature for compounds tested against EGF-R Tyrosine Kinase Homo sapiens. aid578.table aid578.tbin
579 47 The MKP-1 dose response assay SAR support Assay - has been developed to test the activity of a series Analog compounds synthesized by the PMLSC Chemistry Core based on MKP-1 inhibitors identified in the MH-76391 In vitro HTS assay for MKP-1 inhibitors AID 374 and subsequently confirmed in the MKP-1 HTS dose response confirmation assay AID 551. The MKP-1 Phosphatase dose response SAR support assay has been Developed and Run at the University of Pittsburgh Molecular Screening Center (PMLSC) part o... aid579.table aid579.tbin
580 9991 Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening Centers Network (MLSCN) (Proposal number 1X01-MH077620-01) Submitted by Gary A. Piazza of Southern Research Institute Compounds that inhibit cell growth may have cytotoxic or cytostatic effects and vary widely in structure and mechanism of action. Most cancer chemotherapeutic drugs inhibit tumor cell growth by disrupting cell division, which often r... aid580.table aid580.tbin
581 62105 Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pennsylvania MLSCN Grant: X01-MH076406-01 Cathepsin G (EC 3.4.21.20) is a chymotrypsin-like serine protease that is secreted from neutrophils. Disregulated cathepsin G activity is implicated in the progression of various chronic inflammatory diseases such as asthma and chronic pulmonary obstructive disease. Thus cathepsin G inhibitors represent useful... aid581.table aid581.tbin
583 135404 Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Centers Network (MLSCN) MLSCN Grant: XO1 MH079863-01 Over-expression of molecular chaperones occurs commonly in cancers and provides protection from a wide variety of cellular stresses, both endogenous and iatrogenic. Molecular chaperones also play important roles in maintaining the activity of several signal-transducing proteins and transcriptions fac... aid583.table aid583.tbin
584 70699 NIH Molecular Libraries Screening Centers Network [MLSCN] NIH Chemical Genomics Center [NCGC] MLSCN Grant: 1 X01 MH079825-01 PI Name: Shoichet, Brian K. NCGC Assay Overview: This aggregation profiling approach exploits the sensitivity of aggregate formation to detergent. Inhibition of b-lactamase is measured in the presence and absence of 0.01% Triton X-100. This particular assay had the prescence of 0.01% Triton X-100. See Pubchem assay "Promiscuous and Specific Inhibitors of AmpC Beta-Lactama... aid584.table aid584.tbin
585 70699 NIH Molecular Libraries Screening Centers Network [MLSCN] NIH Chemical Genomics Center [NCGC] MLSCN Grant: 1 X01 MH079825-01 PI Name: Shoichet, Brian K. NCGC Assay Overview: This aggregation profiling approach exploits the sensitivity of aggregate formation to detergent. Inhibition of b-lactamase is measured in the presence and absence of 0.01% Triton X-100. See Pubchem assay "Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent)" for related screen. Compounds that i... aid585.table aid585.tbin
586 112 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: The Burnham Institute Network: Molecular Library Screening Center Network (MLSCN) Proposal number 1X01-MH077633-01 External Assay ID: NFkB_INH_LUMI_1536_IC50 Name: Dose-response cell-based assay for chemical inhibitors of antigen receptor-induced NF-kappaB activation Description: Many cellular pathways leading to activation of NF-kB-fam... aid586.table aid586.tbin
587 59094 NIH Molecular Libraries Screening Centers Network [MLSCN] NIH Chemical Genomics Center [NCGC] NCGC Assay Overview: The rate of false hits is dramatically reduced by the qHTS approach (Inglese et al, PNAS, 103, 1147 (2006)) as spurious high- or low-response wells are quickly revealed when plotted in the context of concentration response. Occasionally, the artifactual effect may originate from the compound#s own spectral or other biophysical properties which generally tend to track its assay conce... aid587.table aid587.tbin
588 59094 NIH Molecular Libraries Screening Centers Network [MLSCN] NIH Chemical Genomics Center [NCGC] NCGC Assay Overview: The rate of false hits is dramatically reduced by the qHTS approach (Inglese et al, PNAS, 103, 1147 (2006)) as spurious high- or low-response wells are quickly revealed when plotted in the context of concentration response. Occasionally, the artifactual effect may originate from the compound#s own spectral or other biophysical properties which generally tend to track its assay conce... aid588.table aid588.tbin
589 59094 NIH Molecular Libraries Screening Centers Network [MLSCN] NIH Chemical Genomics Center [NCGC] NCGC Assay Overview: The rate of false hits is dramatically reduced by the qHTS approach (Inglese et al, PNAS, 103, 1147 (2006)) as spurious high- or low-response wells are quickly revealed when plotted in the context of concentration response. Occasionally, the artifactual effect may originate from the compounds own spectral or other biophysical properties which generally tend to track its assay concen... aid589.table aid589.tbin
590 59094 NIH Molecular Libraries Screening Centers Network [MLSCN] NIH Chemical Genomics Center [NCGC] NCGC Assay Overview: The rate of false hits is dramatically reduced by the qHTS approach (Inglese et al, PNAS, 103, 1147 (2006)) as spurious high- or low-response wells are quickly revealed when plotted in the context of concentration response. Occasionally, the artifactual effect may originate from the compounds own spectral or other biophysical properties which generally tend to track its assay concen... aid590.table aid590.tbin
591 59094 NIH Molecular Libraries Screening Centers Network [MLSCN] NIH Chemical Genomics Center [NCGC] NCGC Assay Overview: The rate of false hits is dramatically reduced by the qHTS approach (Inglese et al, PNAS, 103, 1147 (2006)) as spurious high- or low-response wells are quickly revealed when plotted in the context of concentration response. Occasionally, the artifactual effect may originate from the compounds own spectral or other biophysical properties which generally tend to track its assay concen... aid591.table aid591.tbin
592 59094 NIH Molecular Libraries Screening Centers Network [MLSCN] NIH Chemical Genomics Center [NCGC] MLSCN Grant number: none NCGC Assay Overview: The rate of false hits is dramatically reduced by the qHTS approach (Inglese et al, PNAS, 103, 1147 (2006)) as spurious high- or low-response wells are quickly revealed when plotted in the context of concentration response. Occasionally, the artifactual effect may originate from the compounds own spectral or other biophysical properties which generally tend ... aid592.table aid592.tbin
593 59093 NIH Molecular Libraries Screening Centers Network [MLSCN] NIH Chemical Genomics Center [NCGC] NCGC Assay Overview: The rate of false hits is dramatically reduced by the qHTS approach (Inglese et al, PNAS, 103, 1147 (2006)) as spurious high- or low-response wells are quickly revealed when plotted in the context of concentration response. Occasionally, the artifactual effect may originate from the compound's own spectral or other biophysical properties which generally tend to track its assay conce... aid593.table aid593.tbin
594 59094 NIH Molecular Libraries Screening Centers Network [MLSCN] NIH Chemical Genomics Center [NCGC] NCGC Assay Overview: The rate of false hits is dramatically reduced by the qHTS approach (Inglese et al, PNAS, 103, 1147 (2006)) as spurious high- or low-response wells are quickly revealed when plotted in the context of concentration response. Occasionally, the artifactual effect may originate from the compound#s own spectral or other biophysical properties which generally tend to track its assay conce... aid594.table aid594.tbin
595 70699 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] NCGC Assay Overview: Hsp90 (heat shock protein 90) is the essential molecular chaperone and it accounts for 1-2% of all cytosolic proteins and is critical for the activity of diverse cellular proteins that are involved in a variety of cellular processes, including development, cell cycle, and steroid hormone signaling. Its client proteins include signaling kinases such as IGF1R, Akt, v-Src, Raf-1; regul... aid595.table aid595.tbin
596 70699 NIH Molecular Libraries Screening Centers Network [MLSCN] NIH Chemical Genomics Center [NCGC] MLSCN Grant: 1 X01 MH079825-01 Assay Provider: Jeffrey A. Kuret, Ohio State University NCGC Assay Overview: Tau monomers form filaments in vitro in the presence of anionic detergents or fatty acids. The dye Thioflavine S (ThS) binds to tau filaments and upon binding, increases in fluorescence several fold. Small molecules that displace ThS binding or prevent filament binding are identified by a reduct... aid596.table aid596.tbin
597 68401 NIH Molecular Libraries Screening Centers Network [MLSCN] NIH Chemical Genomics Center [NCGC] MLSCN Grant: 1 X01 MH079860-01 Assay Provider: Elisabeth D. Martinez, University of Texas SW Medical Center NCGC Assay Overview: The Locus Derepression assay detects the derepression of a GFP reporter that is stably integrated in a region of the genome of murine c127i mammary cells that is presumably silenced. GFP transcription in this construct is controlled by a CMV promoter, which normally is stron... aid597.table aid597.tbin
598 85210 Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening Centers Network (MLSCN) (Proposal number 1X01-MH077620-01) Submitted by Gary A. Piazza of Southern Research Institute Compounds that inhibit cell growth may have cytotoxic or cytostatic effects and vary widely in structure and mechanism of action. Most cancer chemotherapeutic drugs inhibit tumor cell growth by disrupting cell division, which often r... aid598.table aid598.tbin
599 357 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Orphagen Pharmaceuticals, San Diego, CA Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal number 1X01-MH077624-01 External Assay ID: RORA_INH_Lumi_1536_CS_IC50 Name: Counterscreen for inhibitors of the nuclear receptor Steroidogenic Factor 1 (SF-1): A cell-based dose-response assay for inhibition of the RAR-rel... aid599.table aid599.tbin
600 359 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Orphagen Pharmaceuticals, San Diego, CA Network: Molecular Library Screening Center Network (MLSCN) Grant proposal number 1X01-MH077624-01 External Assay ID: SF-1_INH_Lumi_1536_IC50 Name: Dose-response cell-based assay for inhibitors of the nuclear receptor Steroidogenic Factor 1 (SF-1) Description: Nuclear receptors are a family of sma... aid600.table aid600.tbin
601 9991 Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening Centers Network (MLSCN) (Proposal number 1X01-MH077620-01) Submitted by Dr. Gary A. Piazza of Southern Research Institute. Drug resistance, whether intrinsic or acquired, is a major clinical obstacle, which limits the efficacy of cancer chemotherapy. Multi-drug resistance (MDR) is a phenomenon by which tumor cells display or develop resistance to a ... aid601.table aid601.tbin
602 85210 Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening Centers Network (MLSCN) (Proposal number 1X01-MH077620-01) Submitted by Dr. Gary A. Piazza of Southern Research Institute. Drug resistance, whether intrinsic or acquired, is a major clinical obstacle, which limits the efficacy of cancer chemotherapy. Multi-drug resistance (MDR) is a phenomenon by which tumor cells display or develop resistance to a ... aid602.table aid602.tbin
603 70699 NIH Molecular Libraries Screening Centers Network [MLSCN] NIH Chemical Genomics Center [NCGC] MLSCN Grant: 1 X01 MH077636-01 Assay Provider: Charles McHenry, University of Colorado NCGC Assay Overview: E. coli DNA polymerase III holoenzyme complex was assayed for DNA production by fluorescent detection of the double-stranded DNA product with PicoGreen dye. The holoenzyme complex was reconstituted from the following purified protein components: DNA Polymerase III, beta subunit processivity facto... aid603.table aid603.tbin
604 59805 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Scripps Florida Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: NA External Assay ID: Rhok2_INH_LUMI_1536_%INH Name: Primary biochemical high-throughput screening assay for inhibitors of Rho kinase 2 (Rhok2) Description: Rho-Kinase is a serine/threonine kinase that is involved in the regulation of smoo... aid604.table aid604.tbin
605 70699 NIH Molecular Libraries Screening Centers Network [MLSCN] NIH Chemical Genomics Center [NCGC] Assay Provider: Eric Brown, McMaster University NCGC Assay Overview: YjeE is an essential E.coli protein of unknown function that binds adenosine diphosphate (ADP). A complex of YjeE and BODIPY Texas Red-labeled ADP probe (Invitrogen, catalog number A22359) is incubated with library members. Inhibitors of YjeE-ADP binding are detected by a decrease in the fluorescence polarization (FP) of the fluoropho... aid605.table aid605.tbin
606 51943 LYP, a lymphocyte specific protein tyrosine phosphatase that plays a critical regulatory role in T cell receptor signaling, is encoded by the PTPN22 gene. A single-nucleotide polymorphism in PTPN22 is associated with a number of autoimmune disorders, including type 1 diabetes, rheumatoid arthritis, juvenile rheumatoid arthritis, systemic lupus erythematosus and Grave#s disease. The autoimmunity-predisposing allele is a gain-of-function mutant suggesting that its effect could be eliminated by a sp... aid606.table aid606.tbin
607 9202 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] NCGC Assay Overview: The cyclic nucleotide phosphodiesterases (PDEs) are proteins that catalyze hydrolysis of 3', 5'-cyclic nucleotides, such as cyclic adenosine monophosphate (cAMP) and cyclic guanosine monophosphate (cGMP), to their corresponding 5'-nucleotide monophosphates. These enzymes play an important role in controlling cellular concentrations of cyclic nucleotides and have a central role in a ... aid607.table aid607.tbin
608 3819 Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Centers Network (MLSCN) Peptidylprolyl isomerases (PPIases) are a group of cytosolic enzymes initially characterized by their ability to catalyze the cis-trans isomerization of cis-peptidylprolyl bonds. The cis-trans interconversion accelerated by PPIases is significant for protein folding because cis proline introduces critical bends within the protei... aid608.table aid608.tbin
609 3316 MKP-3 Chemical Complementation HTS Developed and Run at the University of Pittsburgh Molecular Screening Center (PMLSC) as part of the Molecular Library Screening Center Network (MLSCN). XO1 submission MH76330 Chemical Complementation Assay for MKP-3, Assay Provider Dr. John Lazo, Department of Pharmacology at the University of Pittsburgh. The activities of mitogen-activated protein kinases (MAPK) are negatively regulated by mitogen activated protein kinase (MAPK) phosphatases (MKPs). To date, ... aid609.table aid609.tbin
610 273 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Orphagen Pharmaceuticals, San Diego, CA Network: Molecular Library Screening Center Network (MLSCN) Proposal number 1X01-MH077624-01 External Assay ID: RORA_INH_Lumi_1536_IC50 Name: Dose-response cell-based assay for inhibitors of the Retinoic Acid Receptor-related orphan receptor A (RORA) Description: Nuclear receptors are a family o... aid610.table aid610.tbin
611 273 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Orphagen Pharmaceuticals, San Diego, CA Network: Molecular Library Screening Center Network (MLSCN) Proposal number 1X01-MH077624-01 External Assay ID: SF1_INH_Lumi_1536_CS_IC50 Name: Counterscreen for inhibitors of the Retinoic Acid Receptor-related orphan receptor A (RORA): A cell-based dose-response assay for inhibition of the Steroi... aid611.table aid611.tbin
612 61609 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Scripps Florida Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1 R03 MH076345-01 External Assay ID: 5HT1a_ANT_BLA_1536_%INH Name: Primary HTS assay for 5-Hydroxytryptamine (Serotonin) Receptor Subtype 1a (5HT1a) antagonists Description: Widely expressed in the human brain, 5-hydroxytryptamine (5-HT, ... aid612.table aid612.tbin
613 346 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Scripps Florida Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1 R03 MH076345-01 Assay Description: Widely expressed in the human brain, 5-hydroxytryptamine (5-HT, serotonin) receptors have been shown to have an important role in depression as well as other cognitive and metabolic disorders [1, 2]. Agoni... aid613.table aid613.tbin
614 20540 Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screening Centers Network (MLSCN) Alkaline phosphatase (EC 3.1.3.1) (APs) catalyze the hydrolysis of phosphomonoesters, releasing phosphate and alcohol. APs are dimeric enzymes found in most of the organisms. In human, four isozymes of APs have been identified. Three isozymes are tissue-specific and the fourth one is tissue-nonsepecifc, named TNAP. TNAP d... aid614.table aid614.tbin
615 20540 Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screening Centers Network (MLSCN) Alkaline phosphatase (EC 3.1.3.1) (APs) catalyze the hydrolysis of phosphomonoesters, releasing phosphate and alcohol. APs are dimeric enzymes found in most of the organisms. In human, four isozymes of APs have been identified. Three isozymes are tissue-specific and the fourth one is tissue-nonsepecifc, named TNAP. TNAP d... aid615.table aid615.tbin
617 1259 Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening Centers Network (MLSCN) Assay Provider: Dr. Kim Lewis, Northeastern University Award: X01MH077622 There is considerable unmet need for novel antibiotics due to the rise of multi-drug resistant pathogens and the threat of engineered bioweapons. There is also an urgent need for novel antibiotics that can act against slow-growing or dormant pathogens a... aid617.table aid617.tbin
618 86750 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: XO1 MH78949-01 Assay Provider: Dr. Alex Strongin, Sanford-Burnham Medical Research Institute The sustained presence of matrix metalloproteinases (MMPs) in a tumor environment is a characteristic of many cancer types. The expression of the MT1-MMP mRNA and the MT1-MM... aid618.table aid618.tbin
619 97109 The PLK1 HTS assay was developed and run at the University of Pittsburgh Molecular Screening Center (PMLSC) as part of the Molecular Library Screening Center Network (MLSCN)(1 X01 MH76330). Polo-like kinase 1 (Plk1) is a serine-threonine protein kinase that functions as a key regulator of mitosis/meiosis and cytokinesis (Barr et al., 2004). Numerous research studies have demonstrated that Plk1 gene expression is frequently up regulated in human cancers and carcinoma-derived cell lines (Simiz... aid619.table aid619.tbin
620 86758 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: XO1 MH78949-01 Assay Provider: Dr. Alex Strongin, Sanford-Burnham Medical Research Institute This assay was developed to determine the cytotoxic effects of small molecule compounds on HT1080 fibrosarcoma cells that have been stably transfected with the luciferase ge... aid620.table aid620.tbin
621 185 Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Centers Network (MLSCN) Bfl-1, also known as A1 in mice is an anti-apoptotic and NF-kB-inducible member of the Bcl-2 protein family involved in regulation of apoptosis. Due to difficulties with accomplishing targeted gene ablation in mouse models, the endogenous functions of Bfl-1 are largely unknown. Chemical inhibitors of Bfl-1 can be used as researc... aid621.table aid621.tbin
622 12369 Assay Provider: Ming Zhou Assay Provider Affiliation: Columbia University Grant Title: Small-molecule modulators of a family of voltage-dependent potassium channel Grant Number: 1 R03 MH076402-1 Voltage-dependent potassium channels (Kv) are integral membrane proteins that catalyze potassium ion diffusion across the cell membrane in response to voltage changes. Kv channels regulate membrane excitability and are essential to processes such as beating of the heart, communicating between neurons an... aid622.table aid622.tbin
623 12369 Assay Provider: Ming Zhou Assay Provider Affiliation: Columbia University Grant Title: Small-molecule modulators of a family of voltage-dependent potassium channel Grant Number: 1 R03 MH076402-1 Voltage-dependent potassium channels (Kv) are integral membrane proteins that catalyze potassium ion diffusion across the cell mmbrane in response to voltage changes. Kv channels regulate membrane excitability and are essential to processes such as beating of the heart, communicating between neurons and ... aid623.table aid623.tbin
624 8536 Assay Provider: Colleen Niswender Assay Provider Affliation: Vanderbilt University Grant Title: Measurement of GPCR-mediated thallium flux through GIRK channels Grant Number: 1 R03 MH076398-01 The aim of this work was to use high throughput screening of a small molecule library to identify compounds that interact with the alpha2C adrenergic receptor. The assay utilized thallium influx through G-protein Inwardly Rectifying K+ (GIRK) channels as a measure of alpha2C activation. Compounds were test... aid624.table aid624.tbin
625 12369 Assay Provider: Colleen Niswender Assay Provider Affliation: Vanderbilt University Grant Title: Discovery of Novel Allosteric Agonists of the M4 Muscarinic Receptor Grant Number: 1 X01 MH077607-1 The focus of this screening campaign was to identify highly selective small molecules that act as allosteric agonists of the M4 muscarinic receptor. The assay utilized thallium influx through G-protein Inwardly Rectifying K+ (GIRK) channels as a measure of M4 activation. Compounds were tested at 10uM fi... aid625.table aid625.tbin
626 63682 Assay Provider: P. Jeffery Conn Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of novel allosteric modulators of the M1 muscarinic receptor Grant Number: 1 R03 MH077606-01 The M1 muscarinic receptor is thought to be an important therapeutic target in schizophrenia. A cell-based fluorometric calcium assay was developed for high throughput screening. This assay was used to identify compounds with high selectivity for the M1 receptor subtype that act at an allosteric site ... aid626.table aid626.tbin
627 5 Assay Provider: Michelle Lewis Assay Provider Affiliation: Vanderbilt University Grant Title: Vanderbilt Screen Center - GPCRS, Ion Channels and Transporters Grant Number: 5U54MH074427-02 This assay measures the viability of HEK293 adherent cells using the cytoplasmic fluorescent indicator c-12-resorufin after 48hrs of exposure to test compounds. aid627.table aid627.tbin
628 63662 Assay Provider: P. Jeffrey Conn Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of novel allosteric modulators of the M1 muscarinic receptor Grant Number: 1 R03 MH077606-01 The M1 muscarinic receptor is thought to be an important therapeutic target in schizophrenia. A cell-based fluorometric calcium assay was developed for high throughput screening. This assay was used to identify compounds with high selectivity for the M1 receptor subtype that act at an allosteric site ... aid628.table aid628.tbin
629 86106 NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, University of Illinois at Urbana-Champaign MLSCN Grant: 1 X01MH78953-01 Title: HTS for Estrogen Receptor-alpha Coactivator Binding inhibitors Assay Overview Estrogens, which are responsible for the growth of many breast cancers, act through the estrogen receptors, ER-alpha and ER-beta, which are ligand-modulated transcription factors and memb... aid629.table aid629.tbin
630 88074 NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: F.M. Hoffmann, University of Wisconsin-Madison MLSCN Grant: 1R21NS057002-01 Assay Overview: Transforming growth factor beta (TGF-Beta) regulates a variety of processes in mammalian cells, including proliferation, apoptosis, cell migration and extracellular matrix production. Aberrant increases in TGF-Beta signaling have been implicated in several pathological conditions ... aid630.table aid630.tbin
631 196256 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Scripps Florida Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1 X01 MH079861-01, Patrick Griffin, PI External Assay ID: PPARgSRC1_AG_HTRF_1536_%ACT Name: Primary biochemical High Throughput Screening assay for agonists of the steroid receptor coactivator 1 (SRC-1) recruitment by the peroxisome proli... aid631.table aid631.tbin
632 47 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] MLSCN Grant: X01 MH077625-01 NCGC Assay Overview: Hsp90 (heat shock protein 90) is the essential molecular chaperone and it accounts for 1-2% of all cytosolic proteins and is critical for the activity of diverse cellular proteins that are involved in a variety of cellular processes, including development, cell cycle, and steroid hormone signaling. Its client proteins include signaling kinases such as IG... aid632.table aid632.tbin
633 86106 NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, University of Illinois Urbana-Champaign MLSCN Grant: 1 X01MH78953-01 Assay Overview Estrogens, which are responsible for the growth of many breast cancers, act through the estrogen receptors, ER-alpha and ER-beta, which are ligand-modulated transcription factors and members of the nuclear receptor gene superfamily. ER-alpha and ER-beta are wel... aid633.table aid633.tbin
634 22 Assay Provider: Ming Zhou Assay Provider Affiliation: Columbia University Grant Title: Small-molecule modulators of a family of voltage-dependent potassium channel Grant Number: 1 R03 MH076402-1 Voltage-dependent potassium channels (Kv) are integral membrane proteins that catalyze potassium ion diffusion across the cell membrane in response to voltage changes. Kv channels regulate membrane excitability and are essential to processes such as beating of the heart, communicating between neurons and... aid634.table aid634.tbin
635 1265 Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening Centers Network (MLSCN) Assay Provider: Dr. Kim Lewis, Northeastern University (Boston, MA) Award: X01MH077622 There is considerable unmet need for novel antibiotics due to the rise of multi-drug resistant pathogens and the threat of engineered bioweapons. There is also an urgent need for novel antibiotics that can act against slow-growing or dorman... aid635.table aid635.tbin
636 9808 Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening Centers Network (MLSCN) Assay Provider: Dr. Edina Harsay, University of Kansas Award: X01-MH077628-01 Chemical Genetic Screens to Identify Modulators of Post-Golgi Transport The intracellular transport and targeted delivery of cell surface and secreted proteins is a fundamental process in all eukaryotic cells. The regulation of membrane transport pa... aid636.table aid636.tbin
637 9808 Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening Centers Network (MLSCN) Assay Provider: Dr. Edina Harsay, University of Kansas Award: X01-MH077628-01 Chemical Genetic Screens to Identify Modulators of Post-Golgi Transport The intracellular transport and targeted delivery of cell surface and secreted proteins is a fundamental process in all eukaryotic cells. The regulation of membrane transport pa... aid637.table aid637.tbin
638 1265 Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening Centers Network (MLSCN) Assay Provider: Dr. Kim Lewis, Northeastern University Award: X01MH077622 There is considerable unmet need for novel antibiotics due to the rise of multi-drug resistant pathogens and the threat of engineered bioweapons. There is also an urgent need for novel antibiotics that can act against slow-growing or dormant pathogens a... aid638.table aid638.tbin
639 86106 NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, University of Illinois Urbana-Champaign MLSCN Grant: 1 X01MH78953-01 Assay Overview Menopause is associated with the onset of hot flashes, night sweats, mood changes, and urogenital atrophy, which many women find distressing enough to seek medical management for relief. Estrogens in the form of hormone therapy (HT) have been the standard treatmen... aid639.table aid639.tbin
640 96409 LYP, a lymphocyte specific protein tyrosine phosphatase that plays a critical regulatory role in T cell receptor signaling, is encoded by the PTPN22 gene. A single-nucleotide polymorphism in PTPN22 is associated with a number of autoimmune disorders, including type 1 diabetes, rheumatoid arthritis, juvenile rheumatoid arthritis, systemic lupus erythematosus and Graves disease. The autoimmunity-predisposing allele is a gain-of-function mutant suggesting that its effect could be eliminated by a spe... aid640.table aid640.tbin
641 57709 Assay Provider: Val Watts Assay Provider Affiliation: Purdue University Grant Title: Allosteric Modulators of D1 Receptors Grant Number: 1 X01 MH077619-01 Dopamine receptors have been classified into two large families, the D1-like and the D2-like (Neve et al., 2004). Members of the D1-like receptor family include D1 and D5 dopamine receptors. Activation of D1-like receptors stimulate Gs which in turn activates adenylate cyclase resulting in enhanced cyclic AMP accumulation (Neve et al., 200... aid641.table aid641.tbin
642 2239 Assay Provider: Val Watts Assay Provider Affiliation: Purdue University Grant Title: Allosteric Modulators of D1 Receptors Grant Number: 1 X01 MH077619-01 Dopamine receptors have been classified into two large families, the D1-like and the D2-like (Neve et al., 2004). Members of the D1-like receptor family include D1 and D5 dopamine receptors. Activation of D1-like receptors stimulate Gs which in turn activates adenylate cyclase resulting in enhanced cyclic AMP accumulation (Neve et al., 200... aid642.table aid642.tbin
643 48 Assay Provider: Colleen Niswender Assay Provider Affliation: Vanderbilt University Grant Title: Discovery of Novel Allosteric Agonists of the M4 Muscarinic Receptor Grant Number: 1 X01 MH077607-1 The focus of this screening campaign was to identify highly selective small molecules that act as allosteric agonists of the M4 muscarinic receptor. The assay utilized thallium influx through G-protein Inwardly Rectifying K+ (GIRK) channels as a measure of M4 activation. Compounds were tested at 10uM fi... aid643.table aid643.tbin
644 206 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Scripps Florida Network: Molecular Library Screening Center Network (MLSCN) Proposal Number: None External Assay ID: Rock2_INH_ LUMI_1536_ IC50 Name: Dose-response biochemical assay of inhibitors of Rho kinase 2 (Rock2) Description: Rho-Kinase is a serine/threonine kinase involved in the regulation of smooth muscle contraction and cyt... aid644.table aid644.tbin
645 64653 Southern Research Molecular Libraries Screening Center (SRMLSC), a member of the Molecular Libraries Screening Center Network (MLSCN) (Proposal number 1R03MH076408-012) Submitted by Dr. Gabriela Chiosis of the Memorial Sloan-Kettering Institute for Cancer Research Her2 (ErbB2) protein is over-expressed in breast and other solid tumors and is often mutated in cancer patients with progressive disease. Her2 is a member of a family of four transmembrane tyrosine kinase receptors. It can form heter... aid645.table aid645.tbin
646 1909 Assay Provider: Val Watts Assay Provider Affiliation: Purdue University Grant Title: Allosteric Modulators of D1 Receptors Grant Number: 1 X01 MH077619-01 Dopamine receptors have been classified into two large families, the D1-like and the D2-like (Neve et al., 2004). Members of the D1-like receptor family include D1 and D5 dopamine receptors. Activation of D1-like receptors stimulate Gs which in turn activates adenylate cyclase resulting in enhanced cyclic AMP accumulation (Neve et al., 2004). ... aid646.table aid646.tbin
647 2240 Assay Provider: Val Watts Assay Provider Affiliation: Purdue University Grant Title: Allosteric Modulators of D1 Receptors Grant Number: 1 X01 MH077619-01 Dopamine receptors have been classified into two large families, the D1-like and the D2-like (Neve et al., 2004). Members of the D1-like receptor family include D1 and D5 dopamine receptors. Activation of D1-like receptors stimulate Gs which in turn activates adenylate cyclase resulting in enhanced cyclic AMP accumulation (Neve et al., 2004). ... aid647.table aid647.tbin
648 86170 Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening Centers Network (MLSCN) Assay Provider: Dr. Zhican Qu, Southern Research Institute Award: X01MH079851-01 Angiogenesis is a process of new blood vessel formation. Endothelial cell proliferation is an essential step during the angiogenesis process and is involved in many human diseases including cancer, diabetic retinopathy, and rheumatoid arthritis. ... aid648.table aid648.tbin
649 29 The Cdc25B Phosphatase probe assessment dose response assay in 25 mM DTT has been developed to assess actives that were identified in the Cdc25B HTS AID 368 and confirmed in the Cdc25B 10-pt dose response confirmation assay AID 569 conducted by the University of Pittsburgh Molecular Screening Center (PMLSC) part of the Molecular Library Screening Center Network (MLSCN). XO1 submission MH078959 Cdc25B catalytic domain in vitro assay, Assay Provider Dr. Marni Brisson, Department of Pharmacology at ... aid649.table aid649.tbin
650 29 The Cdc25B Phosphatase probe assessment dose response reproducibility assay has been developed to re-confirm actives that were identified in the Cdc25B HTS AID 368 and confirmed in the Cdc25B 10-pt dose response confirmation assay AID 569 conducted by the University of Pittsburgh Molecular Screening Center (PMLSC) part of the Molecular Library Screening Center Network (MLSCN). XO1 submission MH078959 Cdc25B catalytic domain in vitro assay, Assay Provider Dr. Marni Brisson, Department of Pharmaco... aid650.table aid650.tbin
651 1003 The HIV-1 RT-RNase H assay was submitted by Dr. Michael Parniak of the University of Pittsburgh, MLSCN XO1 MH077605, and the HTS was developed and screened at the University of Pittsburgh Molecular Library Screening Center (PMLSC), AID 565. In order to confirm actives identified in the HIV RNase H primary HTS, a cherry pick order of compounds that produced >/= 50% inhibition was re-screened at 10 uM in duplicate wells. The rapid development of HIV-1 resistance to antiretroviral agents is a major... aid651.table aid651.tbin
652 390 The HIV-1 RT-RNase H assay was submitted by Dr. Michael Parniak of the University of Pittsburgh, MLSCN XO1 MH077605, and the HTS was developed and screened at the University of Pittsburgh Molecular Library Screening Center (PMLSC), AID 565. Actives identified in the HIV RNase H primary HTS, were confirmed by re-screening at 10 uM in duplicate wells, AID (pending). If the compound was active in the primary HTS, and the % inhibition in both of the confirmation duplicate tests was > 50%, it was foll... aid652.table aid652.tbin
653 126 The HTS assay to identify Inhibitors of West Nile Virus (WNV) NS2bNS3 Proteinase was proposed by Dr Alex Strongin of the Burnham Institute XO1-MH077601, and was developed and screened at the University of Pittsburgh Molecular Library Screening Center part of the Molecular Library Screening Center Network (MLSCN). The 10-point IC50 dose response confirmation assay was developed and run at the PMLSC to confirm the activity of WNV NS2bNS3 Proteinase inhibitors identified in the primary HTS, AID 577.... aid653.table aid653.tbin
654 1408 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] National Institutes of Environmental Health Sciences [NIEHS] National Toxicology Program [NTP] Grant number: None NCGC Assay Overview: We have developed a 1536-well cell-based assay for quantitative high throughput screening (qHTS) against a number of cell lines to determine in vitro caspase 3/7 of small molecules. This particular assay uses the HepG2 cell line which is derived from human hepatocellula... aid654.table aid654.tbin
655 1408 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] National Institutes of Environmental Health Sciences [NIEHS] National Toxicology Program [NTP] Grant number: None NCGC Assay Overview: We have developed a 1536-well cell-based assay for quantitative high throughput screening (qHTS) against a number of cell lines to determine in vitro caspase 3/7 of small molecules. This particular assay uses the Jurkat cell line which is derived from human T cell leuke... aid655.table aid655.tbin
656 1408 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] National Institutes of Environmental Health Sciences [NIEHS] National Toxicology Program [NTP] Grant number: None NCGC Assay Overview: We have developed a 1536-well cell-based assay for quantitative high throughput screening (qHTS) against a number of cell lines to determine in vitro caspase 3/7 of small molecules. This particular assay uses the HUV-EC-C cell line which is derived from normal human vas... aid656.table aid656.tbin
657 1408 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] National Institutes of Environmental Health Sciences [NIEHS] National Toxicology Program [NTP] Grant number: None NCGC Assay Overview: We have developed a 1536-well cell-based assay for quantitative high throughput screening (qHTS) against a number of cell lines to determine in vitro caspase 3/7 activity of small molecules. This particular assay uses the SH-SY5Y cell line which is derived from human ne... aid657.table aid657.tbin
658 1408 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] National Institutes of Environmental Health Sciences [NIEHS] National Toxicology Program [NTP] Grant number: None NCGC Assay Overview: We have developed a 1536-well cell-based assay for quantitative high throughput screening (qHTS) against a number of cell lines to determine in vitro caspase 3/7 activity of small molecules. This particular assay uses BJ cell line which is derived from normal human fore... aid658.table aid658.tbin
659 1408 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] National Institutes of Environmental Health Sciences [NIEHS] National Toxicology Program [NTP] Grant number: None NCGC Assay Overview: We have developed a 1536-well cell-based assay for quantitative high throughput screening (qHTS) against a number of cell lines to determine in vitro caspase 3/7 activity of small molecules. This particular assay uses the MRC-5 cell line which is derived from human norm... aid659.table aid659.tbin
660 1408 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] National Institutes of Environmental Health Sciences [NIEHS] National Toxicology Program [NTP] Grant number: None NCGC Assay Overview: We have developed a 1536-well cell-based assay for quantitative high throughput screening (qHTS) against a number of cell lines to determine in vitro caspase 3/7 of small molecules. This particular assay uses the mesangial cell line which is derived from normal human re... aid660.table aid660.tbin
661 1408 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] National Institutes of Environmental Health Sciences [NIEHS] National Toxicology Program [NTP] Grant number: None NCGC Assay Overview: We have developed a 1536-well cell-based assay for quantitative high throughput screening (qHTS) against a number of cell lines to determine in vitro caspase 3/7 activity of small molecules. This particular assay uses the SK-N-SH cell line which is derived from human ne... aid661.table aid661.tbin
662 70701 NIH Molecular Libraries Screening Centers Network [MLSCN] NIH Chemical Genomics Center [NCGC] MLSCN Grant: 1X01MH079867-01 Assay Provider: Marshall W. Nirenberg, U.S. National heart lung & blood institute NCGC Assay Overview Memories persist for different lengths of time, from seconds or minutes to a lifetime. There are two kinds of memory: short-term memory (STM) and long-term memory (LTM). STM lasts for minutes to hours, which maybe mediated by modifications of molecules involved in synaptic... aid662.table aid662.tbin
663 1408 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] National Institutes of Environmental Health Sciences [NIEHS] National Toxicology Program [NTP] Grant number: None NCGC Assay Overview: We have developed a 1536-well cell-based assay for quantitative high throughput screening (qHTS) against a number of cell lines to determine in vitro caspase 3/7 of small molecules. This particular assay uses the H-4-II-E cell line which is derived from rat hepatoma. aid663.table aid663.tbin
664 1408 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] National Institutes of Environmental Health Sciences [NIEHS] National Toxicology Program [NTP] Grant number: None NCGC Assay Overview: We have developed a 1536-well cell-based assay for quantitative high throughput screening (qHTS) against a number of cell lines to determine in vitro caspase 3/7 of small molecules. This particular assay uses the Hek 293 cell line which is derived from human embryonic k... aid664.table aid664.tbin
665 1408 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] National Institutes of Environmental Health Sciences [NIEHS] National Toxicology Program [NTP] Grant number: None NCGC Assay Overview: We have developed a 1536-well cell-based assay for quantitative high throughput screening (qHTS) against a number of cell lines to determine in vitro caspase 3/7 activity of small molecules. This particular assay uses the N2a cell line which is derived from mouse neurob... aid665.table aid665.tbin
666 1408 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] National Institutes of Environmental Health Sciences [NIEHS] National Toxicology Program [NTP] Grant number: None NCGC Assay Overview: We have developed a 1536-well cell-based assay for quantitative high throughput screening (qHTS) against a number of cell lines to determine in vitro caspase 3/7 of small molecules. This particular assay uses the NIH 3T3 cell line which is derived from mouse fibroblasts... aid666.table aid666.tbin
667 1408 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] National Institutes of Environmental Health Sciences [NIEHS] National Toxicology Program [NTP] Grant number: None NCGC Assay Overview: We have developed a 1536-well cell-based assay for quantitative high throughput screening (qHTS) against a number of cell lines to determine in vitro caspase 3/7 activity of small molecules. This particular assay uses the primary kidney proximal tubule cells freshly iso... aid667.table aid667.tbin
668 29 The Cdc25B Phosphatase probe assessment dose response assay in Catalase has been developed to assess actives that were identified in the Cdc25B HTS AID 368 and confirmed in the Cdc25B 10-pt dose response confirmation assay AID 569 conducted by the University of Pittsburgh Molecular Screening Center (PMLSC) part of the Molecular Library Screening Center Network (MLSCN). XO1 submission MH078959 Cdc25B catalytic domain in vitro assay, Assay Provider Dr. Marni Brisson, Department of Pharmacology at t... aid668.table aid668.tbin
669 29 The Cdc25B Phosphatase probe assessment dose response assay in 25 mM DTT with Catalase has been developed to assess actives that were identified in the Cdc25B HTS AID 368 and confirmed in the Cdc25B 10-pt dose response confirmation assay AID 569 conducted by the University of Pittsburgh Molecular Screening Center (PMLSC) part of the Molecular Library Screening Center Network (MLSCN). XO1 submission MH078959 Cdc25B catalytic domain in vitro assay, Assay Provider Dr. Marni Brisson, Department of Ph... aid669.table aid669.tbin
670 29 The Cdc25B Phosphatase probe assessment dose response assay in Beta-Mercaptoethanol (BME) has been developed to assess actives that were identified in the Cdc25B HTS AID 368 and confirmed in the Cdc25B 10-pt dose response confirmation assay AID 569 conducted by the University of Pittsburgh Molecular Screening Center (PMLSC) part of the Molecular Library Screening Center Network (MLSCN). XO1 submission MH078959 Cdc25B catalytic domain in vitro assay, Assay Provider Dr. Marni Brisson, Department of... aid670.table aid670.tbin
671 29 The Cdc25B Phosphatase probe assessment dose response assay in Glutathione (GSH) has been developed to assess actives that were identified in the Cdc25B HTS AID 368 and confirmed in the Cdc25B 10-pt dose response confirmation assay AID 569 conducted by the University of Pittsburgh Molecular Screening Center (PMLSC) part of the Molecular Library Screening Center Network (MLSCN). XO1 submission MH078959 Cdc25B catalytic domain in vitro assay, Assay Provider Dr. Marni Brisson, Department of Pharmaco... aid671.table aid671.tbin
672 58 Hydrogen peroxide (H2O2) can modulate (activate or inhibit) the activity of a variety of proteins including protein kinases, protein phosphatases, transcription factors, phospholipases, ion channels and G proteins. H2O2 is capable of oxidizing the cysteine residues of proteins that may be crucial for their catalytic and/or structural function. Many proteins, including a significant number of the targets screened by the MLSCN, contain an active site cysteine that is required for biological activi... aid672.table aid672.tbin
673 29 The Cdc25B Phosphatase probe assessment MKP-1 dose response selectivity assay has been developed to test the phosphatase specificity of actives that were identified in the Cdc25B HTS AID 368 and confirmed in the Cdc25B 10-pt dose response confirmation assay AID 569 conducted by the University of Pittsburgh Molecular Screening Center (PMLSC) part of the Molecular Library Screening Center Network (MLSCN). XO1 submission MH078959 Cdc25B catalytic domain in vitro assay, Assay Provider Dr. Marni Bris... aid673.table aid673.tbin
674 29 The Cdc25B Phosphatase probe assessment MKP-1 dose response selectivity assay has been developed to test the phosphatase specificity of actives that were identified in the Cdc25B HTS AID 368 and confirmed in the Cdc25B 10-pt dose response confirmation assay AID 569 conducted by the University of Pittsburgh Molecular Screening Center (PMLSC) part of the Molecular Library Screening Center Network (MLSCN). XO1 submission MH078959 Cdc25B catalytic domain in vitro assay, Assay Provider Dr. Marni Bris... aid674.table aid674.tbin
675 107 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Orphagen Pharmaceuticals, San Diego, CA Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1X01-MH077624-01 External Assay ID: RORA_AG_LUMI_1536_CS_EC50 Name: Counterscreen for activators of the nuclear receptor Steroidogenic Factor 1 (SF-1): A cell-based dose-response assay for inhibition of the RAR-rela... aid675.table aid675.tbin
676 46 The MKP-1 Dual Specificity Protein Tyrosine Phosphatase Probe Assessment Cdc25B Dose Response Selectivity Assay has been developed to evaluate the PTP selectivity of actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibitors. The MKP-1 HTS assay was screened by the PMLSC against the year 1 full diversity NIH compound library (65,239 compounds) and the data were uploaded to the PubChem database AID 374. The PMLSC confirmed the actives from the MKP-1 screen in dose response assays a... aid676.table aid676.tbin
677 1665 Assay Provider: P. Jeffrey Conn Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of novel allosteric modulators of the M1 muscarinic receptor Grant Number: 1 R03 MH077606-01 The M1 muscarinic receptor is thought to be an important therapeutic target in schizophrenia. A cell-based fluorometric calcium assay was developed for high throughput screening. This assay was used to identify compounds with high selectivity for the M1 receptor subtype that act at an allosteric site ... aid677.table aid677.tbin
678 1665 Assay Provider: P. Jeffrey Conn Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of novel allosteric modulators of the M1 muscarinic receptor Grant Number: 1 R03 MH077606-01 The M1 muscarinic receptor is thought to be an important therapeutic target in schizophrenia. A cell-based fluorometric calcium assay was developed for high throughput screening. This assay was used to identify compounds with high selectivity for the M1 receptor subtype that act at an allosteric site ... aid678.table aid678.tbin
679 94 Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsylvania MLSCN Grant: X01-MH076406-01 Target Factor XI (FXI) circulates as a complex with high molecular weight kininogen (HK) in the plasma at a concentration of 5 ug/ml (equivalent to 31.3 nM, dimeric concentration) as a homodimeric glycosylated blood plasma zymogen of approximately 160 kDa, containing monomeric subunits of 80 kDa each (1). Throm... aid679.table aid679.tbin
680 62106 Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsylvania MLSCN Grant: X01-MH076406-01 Target Factor XI (FXI) circulates as a complex with high molecular weight kininogen (HK) in the plasma at a concentration of 5 ug/ml (equivalent to 31.3 nM, dimeric concentration) as a homodimeric glycosylated blood plasma zymogen of approximately 160 kDa, containing monomeric subunits of 80 kDa each (1). Throm... aid680.table aid680.tbin
681 63 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Orphagen Pharmaceuticals, San Diego, CA Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1X01-MH077624-01 External Assay ID: RORA_AG_LUMI_1536_EC50 Name: Dose-response cell-based assay for activators of the Retinoic Acid Receptor-related orphan receptor A (RORA) Description: Nuclear receptors are a fam... aid681.table aid681.tbin
682 29 The Cdc25B Phosphatase probe assessment compound dose dependent redox cycling H2O2 generation assay in the presence of 0.5 mM DTT, has been developed to evaluate actives that were identified in the Cdc25B HTS AID 368 and confirmed in the Cdc25B 10-pt dose response confirmation assay AID 569 conducted by the University of Pittsburgh Molecular Screening Center (PMLSC) part of the Molecular Library Screening Center Network (MLSCN). XO1 submission MH078959 Cdc25B catalytic domain in vitro assay, Assa... aid682.table aid682.tbin
683 29 The Cdc25B Phosphatase probe assessment compound dose dependent redox cycling H2O2 generation assay in the presence of 1.0 mM DTT, has been developed to evaluate actives that were identified in the Cdc25B HTS AID 368 and confirmed in the Cdc25B 10-pt dose response confirmation assay AID 569 conducted by the University of Pittsburgh Molecular Screening Center (PMLSC) part of the Molecular Library Screening Center Network (MLSCN). XO1 submission MH078959 Cdc25B catalytic domain in vitro assay, Assa... aid683.table aid683.tbin
684 62104 Target Factor XII (FXII) is a 80 kDa zymogen found at a concentration of 0.375 uM in plasma, and upon activation by kallikrein at R353, a disulfide-linked two chain molecule called factor XIIa alpha (FXIIa) is generated. FXIIa is also capable of autoactivation by binding to negatively charged surfaces (1). Kallikrein can also cleave other scissile bonds in FXIIa alpha outside of the catalytic domain at R334, R343, and R353, generating FXIIa beta, a 30 kDa enzyme that is no longer able to bind ... aid684.table aid684.tbin
685 30077 Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Graham Pavitt, University of Manchester, U.K. MLSCN Grant: X01-MH077608-01 eIF2B-related disorders are caused by genetically inherited mutations in the general translation initiation factor eIF2B [Pavitt GD, Ramaiah KV, Kimball SR, Hinnebusch AG, Genes Dev. 1998, 12, 514-26]. We are currently screening the MLSCN library to identify compounds that can restore eIF2B function using wild... aid685.table aid685.tbin
686 3806 Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Amy Rubenstein, Zygogen LLC, Atlanta, GA MLSCN Grant: X01-MH077634-01 The zebrafish processes lipids through its digestive system in a similar way to mammals. Thus it is a useful model organism that provides for in vivo measurement of lipid absorption and processing in a vertebrate organism. Zebrafish larvae are transparent, allowing for observation of lipid metabolism in the whole ... aid686.table aid686.tbin
687 33069 Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsylvania MLSCN Grant: X01-MH076406-01 Target Factor XI (FXI) circulates as a complex with high molecular weight kininogen (HK) in the plasma at a concentration of 5 ug/ml (equivalent to 31.3 nM, dimeric concentration) as a homodimeric glycosylated blood plasma zymogen of approximately 160 kDa, containing monomeric subunits of 80 kDa each (1). Throm... aid687.table aid687.tbin
688 27198 Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Graham Pavitt, University of Manchester, U.K. MLSCN Grant: X01-MH077608-01 eIF2B is a translation initiation factor that functions in the first step of protein synthesis. It is a guanine-nucleotide exchange factor (GEF), converting eIF2 (inactive GDP-bound form) to eIF2GTP (active) [Pavitt GD, Ramaiah KV, Kimball SR, Hinnebusch AG, Genes Dev. 1998, 12, 514-26.] Mutations of eIF2B man... aid688.table aid688.tbin
689 61808 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: XO1 MH077603-01 Assay Provider: Dr. Elena Pasquale, Sanford-Burnham Medical Research Institute EphA4 is a member of the large Eph family of receptor tyrosine kinases. The signaling ability of EphA4, and the other nine closely related EphA receptors, is activated by ... aid689.table aid689.tbin
690 95864 Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screening Centers Network (MLSCN) Alkaline phosphatase (EC 3.1.3.1) (APs) catalyze the hydrolysis of phosphomonoesters, releasing phosphate and alcohol. APs are dimeric enzymes found in most organisms. In human, four isozymes of APs have been identified: three isozymes are tissue-specific and the fourth one is tissue-nonspecific. Placental alkaline phosph... aid690.table aid690.tbin
691 53 Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Amy Rubenstein, Zygogen LLC, Atlanta, GA MLSCN Grant: X01-MH077634-01 The zebrafish processes lipids through its digestive system in a similar way to mammals. Thus it is a useful model organism that provides for in vivo measurement of lipid absorption and processing in a vertebrate organism. Zebrafish larvae are transparent, allowing for observation of lipid metabolism in the whole ... aid691.table aid691.tbin
692 107 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Orphagen Pharmaceuticals, San Diego, CA Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1X01-MH077624-01 External Assay ID: SF1_AG_LUMI_1536_EC50 Nuclear receptors are a family of small molecule and hormone-regulated transcription factors that share conserved DNA-binding and ligand-binding domains. Small... aid692.table aid692.tbin
693 97049 Extracted from the MH078944 proposal submitted by Dr. Michael Yaffe of MIT. The Polo-like kinases (Plks) play important roles in many cell cycle-related events including the initiation of mitosis, chromosome segregation, centrosome maturation, bipolar spindle formation, regulation of anaphase-promoting complex and execution of cytokinesis. The prototypic Polo kinase was originally identified in flies, in which mutants resulted in abnormal spindle poles. A single Polo family member is found in fl... aid693.table aid693.tbin
694 1280 NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, University of Illinois at Urbana-Champaign MLSCN Grant: 1 X01MH78953-01 Assay Overview Estrogens, which are responsible for the growth of many breast cancers, act through the estrogen receptors, ER-alpha and ER-beta, which are ligand-modulated transcription factors and members of the nuclear receptor gene superfamily. ER-alpha and ER-alpha are... aid694.table aid694.tbin
695 63 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Orphagen Pharmaceuticals, San Diego, CA (1-X01-MH077624-01) Network: Molecular Library Screening Center Network (MLSCN) External Assay ID: SF1_AG_LUMI_1536_CS_EC50 Name: Counterscreen for activators of the Retinoic Acid Receptor-related orphan receptor A (RORA): A cell-based dose-response assay for inhibition of the Steroidogenic Factor ... aid695.table aid695.tbin
696 95739 Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screening Centers Network (MLSCN) Alkaline phosphatase (EC 3.1.3.1) (APs) catalyze the hydrolysis of phosphomonoesters, releasing phosphate and alcohol. APs are dimeric enzymes found in most organisms. In human, four isozymes of APs have been identified: three isozymes are tissue-specific and the fourth one is tissue-nonspecific. Placental alkaline phosph... aid696.table aid696.tbin
697 96409 LYP, a lymphocyte specific protein tyrosine phosphatase that plays a critical regulatory role in T cell receptor signaling, is encoded by the PTPN22 gene. A single-nucleotide polymorphism in PTPN22 is associated with a number of autoimmune disorders, including type 1 diabetes, rheumatoid arthritis, juvenile rheumatoid arthritis, systemic lupus erythematosus and Graves disease. The autoimmunity-predisposing allele is a gain-of-function mutant, suggesting that an animal model could be created with ... aid697.table aid697.tbin
698 7 University of New Mexico Assay Overview: Assay Support NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph.D. Assay Background and Significance Formyl peptide receptors. The G-protein coupled formylpeptide receptor (FPR) was one of the originating members of the chemoattractant receptor superfamily (Le et al., 2002a; Oppenheim et al., 1991). N-formylated peptides such as fMLF are high affinity FPR ligands that trigger a variety of biologic activities i... aid698.table aid698.tbin
699 34 University of New Mexico Assay Overview: Assay Support NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph.D. Assay Background and Significance Formyl peptide receptors. The G-protein coupled formylpeptide receptor (FPR) was one of the originating members of the chemoattractant receptor superfamily (Le et al., 2002a; Oppenheim et al., 1991). N-formylated peptides such as fMLF are high affinity FPR ligands that trigger a variety of biologic activities ... aid699.table aid699.tbin
700 94 University of New Mexico Assay Overview Assay Support 1X01MH078952-01 Small Molecule Inhibition of Staphylococcus aureus Virulence PI: Hattie D. Gresham, Ph.D. Background and Significance Quorum sensing is a cell-to-cell communication system that permits members of a bacterial population to coordinate their behavior dependent on cell density (for review see ref. Waters and Bassler, 2005). The mediators of this communication system are small, diffusible pheromones or autoinducers that are se... aid700.table aid700.tbin
701 33069 Molecular Library Screening Centre Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsylvania MLSCN Grant: X01-MH076406-01 Target Factor XII (FXII) is a 80 kDa zymogen found at a concentration of 0.375 uM in plasma, and upon activation by kallikrein at R353, a disulfide-linked two chain molecule called factor XIIa alpha (FXIIa) is generated. FXIIa is also capable of autoactivation by binding to negatively charged surfaces (1). K... aid701.table aid701.tbin
702 62 Assay Support: 1 X01 MH077638-01 MLSCN Assay for Allosteric Ligands for the VLA-4 Integrin PI: SKLAR, LARRY A University of New Mexico Assay Overview: This is a high throughput flow cytometry cell-based assay to measure dose response of small molecules# allosteric inhibition of integrin alpha-4-beta-1 heterodimer very late antigen (VLA-4). Inhibition of VLA-4 activation affects the affinity and conformation of integrins. Affinity states have been directly evaluated by a peptide ligand derived ... aid702.table aid702.tbin
703 5 Assay Support: 1 X01 MH077638-01 MLSCN Assay for Allosteric Ligands for the VLA-4 Integrin PI: SKLAR, LARRY A University of New Mexico Assay Overview: This is a high throughput flow cytometry cell-based assay to measure dose response of small molecules allosteric activators of integrin alpha-4-beta-1 heterodimer very late antigen (VLA-4). Activation of VLA-4 affects the affinity and conformation of integrins. Affinity states have been directly evaluated by a peptide ligand derived from the LD... aid703.table aid703.tbin
704 96889 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: The Scripps Research Institute, TSRI Network: Molecular Library Screening Center Network (MLSCN) Proposal Number: 1 X01 MH078935-01 External Assay ID: HIVREVRRE_INH_FRET_1536_%INH Name: Primary biochemical high-throughput screening assay for inhibitors of the HIV Rev - RRE RNA interaction (disruption of protein-RNA interaction) Descri... aid704.table aid704.tbin
705 9532 Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening Centers Network (MLSCN) Assay Provider: Dr. David S. Goldfarb, University of Rochester Award: R03 MH076395-01 There is now solid evidence for the early evolution of conserved pathways for aging. These pathways may allow eukaryotic cells and animals to postpone reproduction in unfavorable environmental conditions. Key elements of public cellular mecha... aid705.table aid705.tbin
706 9532 Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening Centers Network (MLSCN) Assay Provider: Dr. David S. Goldfarb, University of Rochester Award: R03 MH076395-01 There is now solid evidence for the early evolution of conserved pathways for aging. These pathways may allow eukaryotic cells and animals to postpone reproduction in unfavorable environmental conditions. Key elements of public cellular mecha... aid706.table aid706.tbin
707 90649 Hypertension and vascular inflammation are associated with cardiovascular diseases, the primary cause of death in our society. Because a large proportion of patients are not responding to current therapies, the next generation of drugs will not only need to reduce blood pressure but also treat vascular and renal inflammation as well as reduce smooth muscle cell proliferation, which in turn should also reduce hypertension related organ damage. Using inhibitors developed in the Hammock laboratory, ... aid707.table aid707.tbin
708 65448 Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: None When small molecule libraries are screened in bioassays, a common source of artifacts and interference is various optical properties of the compounds themselves. If an assay is using absorbance at a certain wavelength as a readout, it is possible that some screened compounds will absorb light efficiently en... aid708.table aid708.tbin
709 65445 Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: None When small molecule libraries are screened in bioassays, a common source of artifacts and interference is various optical properties of the compounds themselves. Autofluorescent compounds may for example yield false positives or negatives in screens where an increase or decrease of fluorescence is measured o... aid709.table aid709.tbin
710 97559 Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening Centers Network (MLSCN) Assay Provider: Dr. Kim Lewis, Northeastern University Award: X01MH077622 There is considerable unmet need for novel antibiotics due to the rise of multi-drug resistant pathogens and the threat of engineered bioweapons. There is also an urgent need for novel antibiotics that can act against slow-growing or dormant pathogens a... aid710.table aid710.tbin
711 52 NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN MLSCN Grant: 1 X01MH78953-01 The 14-3-3 proteins are the prototype for a novel class of protein modules that can recognize phosphoserine/threonine (pS/T)-containing motifs in a variety of signaling proteins. To date, 14-3-3 proteins have been reported to bind more than 200 client proteins. Through these interactions, 14-3-3 proteins play important roles in a wide range of vital regulatory p... aid711.table aid711.tbin
712 268 Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transformation and in elevating the survival and growth potential of cancer cells. Recent evidence suggests additional applications of Hsp90 inhibitors in neurodegenerative diseases, nerve injuries, inflammation and infection. Several natural products that inactivate Hsp90 function have anti-tumor effects in in vitro and in vivo models of cancer. Howe... aid712.table aid712.tbin
713 439 NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, University of Illinois at Urbana-Champaign MLSCN Grant: 1 X01MH78953-01 Title: HTS for Estrogen Receptor-alpha Coactivator Binding inhibitors Assay Overview Estrogens, which are responsible for the growth of many breast cancers, act through the estrogen receptors, ER-alpha and ER-beta, which are ligand-modulated transcription factors and memb... aid713.table aid713.tbin
714 42 NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Keith D. Wilkinson, Emory University MLSCN Grant: 1 R03 MH076382-01 Assay Overview: BAP1 (BRCA1 associated protein 1) is a member of the Ubiquitin carboxy-terminal hydrolase (UCH) family of deubiquitinating enzymes(DUB). These proteases reverse the conjugation of ubiquitin to targeted proteins. The importance of ubiquitin conjugation in many cellular processes suggests... aid714.table aid714.tbin
715 30 NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: F.M. Hoffmann, University of Wisconsin-Madison MLSCN Grant: 1R21NS057002-01 Assay Overview: Transforming growth factor beta (TGF-Beta) regulates a variety of processes in mammalian cells, including proliferation, apoptosis, cell migration and extracellular matrix production. Aberrant increases in TGF-Beta signaling have been implicated in several pathological conditions ... aid715.table aid715.tbin
716 93 Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsylvania MLSCN Grant: X01-MH076406-01 Target Factor XII (FXII) is a 80 kDa zymogen found at a concentration of 0.375 uM in plasma, and upon activation by kallikrein at R353, a disulfide-linked two chain molecule called factor XIIa alpha (FXIIa) is generated. FXIIa is also capable of autoactivation by binding to negatively charged surfaces (1). K... aid716.table aid716.tbin
717 90649 Hypertension and vascular inflammation are associated with cardiovascular diseases, the primary cause of death in our society. Because a large proportion of patients are not responding to current therapies, the next generation of drugs will not only need to reduce blood pressure but also treat vascular and renal inflammation as well as reduce smooth muscle cell proliferation, which in turn should also reduce hypertension related organ damage. Using inhibitors developed in the Hammock laboratory, ... aid717.table aid717.tbin
718 51 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: The Scripps Research Institute Molecular Screening Center Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1 R03 MH076345-01 Assay Description: Widely expressed in the human brain, 5-hydroxytryptamine (5-HT, serotonin) receptors have been shown to have an important role in depression as well as other cogni... aid718.table aid718.tbin
719 84890 Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening Centers Network (MLSCN) Assay Provider: Dr. Zhican Qu, Southern Research Institute Award: X01-MH079851-01 Assay Description Angiogenesis is the process of new blood vessel formation, which is believed to be involved in many human diseases including cancer, diabetic retinopathy, and rheumatoid arthritis. Endothelial cell proliferation is known to o... aid719.table aid719.tbin
720 96889 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: The Scripps Research Institute, TSRI Network: Molecular Library Screening Center Network (MLSCN) Proposal Number: 1 X01 MH079857-01 External Assay ID: EphB4TNYLRAW_INH_FP_1536_%INH Name: Primary biochemical high-throughput screening assay for antagonists of the interaction between the Eph receptor B4 (EphB4) and its ligand ephrin-B2 via ... aid720.table aid720.tbin
721 94 Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsylvania MLSCN Grant: X01-MH076406-01 Target Factor XI (FXI) circulates as a complex with high molecular weight kininogen (HK) in the plasma at a concentration of 5 ug/ml (equivalent to 31.3 nM, dimeric concentration) as a homodimeric glycosylated blood plasma zymogen of approximately 160 kDa, containing monomeric subunits of 80 kDa each (1). Throm... aid721.table aid721.tbin
722 1276 University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph.D. Assay Background and Significance Formyl peptide receptors. The G-protein coupled formylpeptide receptor (FPR) was one of the originating members of the chemoattractant receptor superfamily (Le et al., 2002a; Oppenheim et al., 1991). N-formylated peptides such as fMLF are high affinity FPR ligands that trigger a variety of biologic activitie... aid722.table aid722.tbin
723 58 University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph.D. Assay Background and Significance Formyl peptide receptors. The G-protein coupled formylpeptide receptor (FPR) was one of the originating members of the chemoattractant receptor superfamily (Le et al., 2002a; Oppenheim et al., 1991). N-formylated peptides such as fMLF are high affinity FPR ligands that trigger a variety of biologic activiti... aid723.table aid723.tbin
724 58 University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph.D. Assay Background and Significance Formyl peptide receptors. The G-protein coupled formylpeptide receptor (FPR) was one of the originating members of the chemoattractant receptor superfamily (Le et al., 2002a; Oppenheim et al., 1991). N-formylated peptides such as fMLF are high affinity FPR ligands that trigger a variety of biologic activiti... aid724.table aid724.tbin
725 1276 University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph.D. Assay Background and Significance Formyl peptide receptors. The G-protein coupled formylpeptide receptor (FPR) was one of the originating members of the chemoattractant receptor superfamily (Le et al., 2002a; Oppenheim et al., 1991). N-formylated peptides such as fMLF are high affinity FPR ligands that trigger a variety of biologic activitie... aid725.table aid725.tbin
726 51 Data Source: The Scripps Research Institute Molecular Screening Center Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: The Scripps Research Institute Molecular Screening Center Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1 R03 MH076345-01 Description The neurotransmitter, serotonin (5HT, 5-hydroxytryptamine) is important in a large number of neuro... aid726.table aid726.tbin
727 96889 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Scripps Florida Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: Not Applicable External Assay ID: FAK_INH_TRFRET_1536_%INH Name: Primary biochemical high-throughput screening assay for inhibitors of Focal Adhesion Kinase (FAK) Description: The focal adhesion kinase (FAK) is a tyrosine kinase involve... aid727.table aid727.tbin
728 87 Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsylvania MLSCN Grant: X01-MH076406-01 Target Factor XII (FXII) is a 80 kDa zymogen found at a concentration of 0.375 uM in plasma, and upon activation by kallikrein at R353, a disulfide-linked two chain molecule called factor XIIa alpha (FXIIa) is generated. FXIIa is also capable of autoactivation by binding to negatively charged surfaces (1). K... aid728.table aid728.tbin
729 96889 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: TSRI Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1 R03 MH076533-01 External Assay ID: S1P2_AG_BLA_1536_%ACT Name: Primary Cell-Based High-Throughput Screening to Identify Agonists of the Sphingosine 1-phosphate receptor 2 (S1P2) Description: Sphingosine 1-phosphate (S1P) influences heart rate [1,2... aid729.table aid729.tbin
730 51 External Assay ID: S1P3_EC50_CS_5HT1e_Agonist Name: S1P3 Dose Response Assay Counterscreen for 5-Hydroxytryptamine(Serotonin) Receptor Subtype 1E Agonists Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: The Scripps Research Institute Molecular Screening Center Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1 R03 MH076345-01 Description: The neurotr... aid730.table aid730.tbin
731 196256 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Scripps Florida Network: Molecular Library Screening Center Network (MLSCN) Proposal Number: 1 X01 MH079861-01 PI: Patrick Griffin External Assay ID: PPARgSRC3_AG_TRFRET_1536_%ACT Name: Primary biochemical High Throughput Screening assay for agonists of the steroid receptor coactivator 3 (SRC-3) recruitment by the peroxisome proliferator-... aid731.table aid731.tbin
732 1307 NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Thanh Doan & Eric Sandberg, ZYGOGEN, LLC MLSCN Grant: 1 X01 MH077629-01 Assay Overview: Pathological angiogenesis contributes to over 70 diseases, including cancer, age-related macular degeneration and rheumatoid arthritis. Current in vitro models employed in screening compounds for effects on angiogenesis lack the biological complexity of in vivo systems. Zygogen, LLC d... aid732.table aid732.tbin
733 390 NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, University of Illinois Urbana-Champaign MLSCN Grant: 1 X01MH78953-01 Assay Overview Estrogens, which are responsible for the growth of many breast cancers, act through the estrogen receptors, ER-alpha and ER-beta, which are ligand-modulated transcription factors and members of the nuclear receptor gene superfamily. ER-alpha and ER-beta are wel... aid733.table aid733.tbin
734 5149 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Florida Atlantic University Network: Molecular Library Screening Center Network (MLSCN) Proposal Number: 1 X01 MH078948-01 External Assay ID: MMP13_INH_deltaRFU_ 1536_3X%INH Name: Assay to identify inhibitors among the possible fluorescent artifacts from the primary HTS inhibition assay of Matrix Metalloproteinase 13 (MMP13) activity Des... aid734.table aid734.tbin
735 42 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Florida Atlantic University Network: Molecular Library Screening Center Network (MLSCN) Proposal Number: 1 X01 MH078948-01 External Assay ID: MMP13_INH_fTHP_1536_IC50 Name: Dose-response biochemical assay for inhibitors of Matrix Metalloproteinase 13 (MMP13) activity Description: Osteoarthritis (OA) is an age-related debilitating diseas... aid735.table aid735.tbin
736 96889 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: TSRI Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1 R03 MH076533-01 External Assay ID: S1P2_ANT_BLA_1536_%INH Name: Primary Cell-Based High-Throughput Screening to Identify Antagonists of the Sphingosine 1-phosphate receptor 2 (S1P2) Description: Sphingosine 1-phosphate (S1P) influences heart rate [... aid736.table aid736.tbin
737 96 NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, University of Illinois Urbana-Champaign MLSCN Grant: 1 X01MH78953-01 Assay Overview Menopause is associated with the onset of hot flashes, night sweats, mood changes, and urogenital atrophy, which many women find distressing enough to seek medical management for relief. Estrogens in the form of hormone therapy (HT) have been the standard treatmen... aid737.table aid737.tbin
738 97528 Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening Centers Network (MLSCN) Assay Provider: Dr. Edina Harsay, University of Kansas Award: X01-MH077628-01 Chemical Genetic Screens to Identify Modulators of Post-Golgi Transport The intracellular transport and targeted delivery of cell surface and secreted proteins is a fundamental process in all eukaryotic cells. The regulation of membrane transport pa... aid738.table aid738.tbin
739 97519 Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening Centers Network (MLSCN) Assay Provider: Dr. Edina Harsay, University of Kansas Award: X01-MH077628-01 Chemical Genetic Screens to Identify Modulators of Post-Golgi Transport The intracellular transport and targeted delivery of cell surface and secreted proteins is a fundamental process in all eukaryotic cells. The regulation of membrane transport pa... aid739.table aid739.tbin
740 95520 Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening Centers Network (MLSCN) Assay Provider: Dr. William E. Severson, Southern Research Institute Award: R03 MH081270-01 Currently, there is no commercially available vaccine to protect humans against the highly pathogenic avian influenza H5N1 virus that is spreading across Asia, Europe, and Africa. Since humans have no immunity against any H5 viruses, th... aid740.table aid740.tbin
741 296 Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening Centers Network (MLSCN) (Proposal number 1X01-MH077620-01) Submitted by Dr. Gary A. Piazza of Southern Research Institute Drug resistance, whether intrinsic or acquired, is a major clinical obstacle, which limits the efficacy of cancer chemotherapy. Multi-drug resistance (MDR) is a phenomenon by which tumor cells display or develop resistance to a n... aid741.table aid741.tbin
742 300 Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening Centers Network (MLSCN) Assay Provider: Dr. Gabriela Chiosis, Memorial Sloan-Kettering Cancer Center Award: 1R03MH076408-012 Her2 (ErbB2) protein is over-expressed in breast and other solid tumors and is often mutated in patients with progressive disease. Her2 is a member of a family of four transmembrane tyrosine kinase receptors. It can form hetero... aid742.table aid742.tbin
744 209 The PLK1 HTS assay was developed and run at the University of Pittsburgh Molecular Screening Center (PMLSC) as part of the Molecular Library Screening Center Network (MLSCN)(1 X01 MH76330). Polo-like kinase 1 (Plk1) is a serine-threonine protein kinase that functions as a key regulator of mitosis/meiosis and cytokinesis (Barr et al., 2004). Numerous research studies have demonstrated that Plk1 gene expression is frequently up regulated in human cancers and carcinoma-derived cell lines (Simizu a... aid744.table aid744.tbin
745 33360 Emory Chemistry-Biology Discovery Center Assay Overview: Grant number: none Paramyxoviruses comprise several major human pathogens. Although a live-attenuated vaccine protects against measles virus (MV), a member of the paramyxovirus family, the virus remains a principal cause of worldwide mortality and accounts for approximately 21 million cases and 300,000 to 400,000 deaths annually. The development of novel antivirals that allow improved case management of severe measles and silence viral out... aid745.table aid745.tbin
746 59805 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Scripps Florida Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: None External Assay ID: JNK3_INH_TR-FRET_1536_%INH Name: Primary biochemical high-throughput screening assay for inhibitors of the c-Jun N-Terminal Kinase 3 (JNK3) Description: The c-Jun N-Terminal Kinases (JNK) are members of the mitogen a... aid746.table aid746.tbin
747 26 Differential static light scattering assay using StarGazer instrument from Harbinger Biotech: Protein samples are heated gradually, with light scattered by aggregated protein recorded as a function of temperature. aid747.table aid747.tbin
748 96416 Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Centers Network (MLSCN) Bcl-B is an anti-apoptotic member of the Bcl-2 family that is prominently expressed in plasma and multiple myeloma cells. TR3 (NR4A1; HMR; NP10; GFRP1; NAK1; NUR77; NGFIB) is an orphan member of the steroid/thyroid/retinoid nuclear receptor superfamily that translocates from cellular nuclei to mitochondria upon exposure to vario... aid748.table aid748.tbin
749 44 External Assay ID: Dose Response Cell Based Assay for Antagonists of the 5-Hydroxytryptamine Receptor Subtype 1E (5HT1E) Name: 5H1E_Antagonists_IC50 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: The Scripps Research Institute Molecular Screening Center Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1 R03 MH076345-01 Description: The neurotransmi... aid749.table aid749.tbin
750 86480 Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Centers Network (MLSCN) The sustained presence of matrix metalloproteinases (MMPs) in a tumor environment is a characteristic of many cancer types. The expression of the MT1-MMP mRNA and the MT1-MMP protein closely correlates with increased tumor volume, tumor invasiveness, and the incidence of local and distant metastases. Tumorigenic MT1-MMP is effe... aid750.table aid750.tbin
751 23718 University of New Mexico Assay Overview: Assay Support: NIH 1 X01 MH077613-01 Assay for disassembly of the 26S Proteasome PI: Dorota Skowyra, PhD Assay implementation: Peter Simons PhD, Irena Ivnitski-Steele PhD, Terry Foutz BS, Mark Carter MS, Anna Waller PhD Assay Background and Significance The 26S proteasome in a highly conserved ATP-dependent protease that plays a central role in the control of protein stability in all eukaryotic cells. It is the most complex example of ATP-dependent p... aid751.table aid751.tbin
752 2 Organism: Rattus norvegicus; Strain: Wistar. RNAi silencing of endogenous KLF5 and Edg1 expression was performed on primary culture of vascular smooth muscle cells (VSMCs). aid752.table aid752.tbin
753 309 NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Grant number: 1 R03 MH076382-01 BAP1 (BRCA1 Associated Protein 1) is a member of the Ubiquitin carboxy-terminal hydrolase (UCH) family of deubiquitinating enzymes (DUB). These proteases reverse the conjugation of ubiquitin to targeted proteins. The importance of ubiquitin conjugation in many cellular processes suggests a critical role of DUBs in normal physiology and potentially in patholog... aid753.table aid753.tbin
754 81 Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transformation and in elevating the survival and growth potential of cancer cells. Recent evidence suggests additional applications of Hsp90 inhibitors in neurodegenerative diseases, nerve injuries, inflammation and infection. Several natural products that inactivate Hsp90 function have anti-tumor effects in in vitro and in vivo models of cancer. Howe... aid754.table aid754.tbin
755 44 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: The Scripps Research Institute Molecular Screening Center Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1 R03 MH076345-01 Assay Description: Widely expressed in the human brain, 5-hydroxytryptamine (5-HT, serotonin) receptors have been shown to have an important role in depression as well as other cogni... aid755.table aid755.tbin
756 209 The Plk1 HTS assay was developed and run at the University of Pittsburgh Molecular Screening Center (PMLSC) as part of the Molecular Library Screening Center Network (MLSCN)(1 X01 MH76330). Polo-like kinase 1 (Plk1) is a serine-threonine protein kinase that functions as a key regulator of mitosis/meiosis and cytokinesis (Barr et al., 2004). Numerous research studies have demonstrated that Plk1 gene expression is frequently up regulated in human cancers and carcinoma-derived cell lines (Simiz... aid756.table aid756.tbin
757 194655 University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) Assay Background and Significance: Ras and related small molecular weight... aid757.table aid757.tbin
758 194659 University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) Assay Background and Significance: Ras and related small molecular weight... aid758.table aid758.tbin
759 194653 University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) Assay Background and Significance: Ras and related small molecular weight... aid759.table aid759.tbin
760 194656 University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) Assay Background and Significance: Ras and related small molecular weight... aid760.table aid760.tbin
761 194656 University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) Assay Background and Significance: Ras and related small molecular weight... aid761.table aid761.tbin
762 15 University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph.D. Assay Background and Significance Formyl peptide receptors. The G-protein coupled formylpeptide receptor (FPR) was one of the originating members of the chemoattractant receptor superfamily (Le et al., 2002a; Oppenheim et al., 1991). N-formylated peptides such as fMLF are high affinity FPR ligands that trigger a variety of biologic activities... aid762.table aid762.tbin
763 170 University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph.D. Assay Background and Significance Formyl peptide receptors. The G-protein coupled formylpeptide receptor (FPR) was one of the originating members of the chemoattractant receptor superfamily (Le et al., 2002a; Oppenheim et al., 1991). N-formylated peptides such as fMLF are high affinity FPR ligands that trigger a variety of biologic activities ... aid763.table aid763.tbin
764 194653 University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) Assay Background and Significance: Ras and related small molecular weight... aid764.table aid764.tbin
765 170 University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph.D. Assay Background and Significance Formyl peptide receptors. The G-protein coupled formylpeptide receptor (FPR) was one of the originating members of the chemoattractant receptor superfamily (Le et al., 2002a; Oppenheim et al., 1991). N-formylated peptides such as fMLF are high affinity FPR ligands that trigger a variety of biologic activities ... aid765.table aid765.tbin
766 15 University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph.D. Assay Background and Significance Formyl peptide receptors. The G-protein coupled formylpeptide receptor (FPR) was one of the originating members of the chemoattractant receptor superfamily (Le et al., 2002a; Oppenheim et al., 1991). N-formylated peptides such as fMLF are high affinity FPR ligands that trigger a variety of biologic activities... aid766.table aid766.tbin
767 3 Organism: Homo sapiens. RNAi silencing of endogenous TRBP was performed on HeLa cells (cervical adenocarcinoma). aid767.table aid767.tbin
768 3 Organism: Homo sapiens. RNAi silencing of transfected TRBP was performed on HeLa cells (cervical adenocarcinoma). aid768.table aid768.tbin
769 8 External Assay ID: MMP13_INH_deltaRFU_ 1536_IC50 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Florida Atlantic University Network: Molecular Library Screening Center Network (MLSCN) Proposal Number: 1 X01 MH078948-01 Name: Dose response biochemical assay for autofluorescent inhibitors of Matrix Metalloproteinase 13 (MMP13) activity Description: Osteoarthritis (OA) is an age-related ... aid769.table aid769.tbin
770 3316 Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening Centers Network (MLSCN) Grant number: None Compounds that display in vitro tumor cell growth inhibitory activity may have antiproliferative, apoptotic, or non-selective cytotoxic effects and vary widely in structure and mechanism of action. Cancer chemotherapeutic drugs display this activity primarily by disrupting cell division, which often results... aid770.table aid770.tbin
771 3317 Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening Centers Network (MLSCN) Grant number: None Compounds that display in vitro tumor cell growth inhibitory activity may have antiproliferative, apoptotic, or non-selective cytotoxic effects and vary widely in structure and mechanism of action. Cancer chemotherapeutic drugs display this activity primarily by disrupting cell division, which often results... aid771.table aid771.tbin
772 3317 Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening Centers Network (MLSCN) Grant number: None Compounds that display in vitro tumor cell growth inhibitory activity may have antiproliferative, apoptotic, or non-selective cytotoxic effects and vary widely in structure and mechanism of action. Cancer chemotherapeutic drugs display this activity primarily by disrupting cell division, which often results ... aid772.table aid772.tbin
773 270 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: XO1 MH78949-01 Assay Provider: Dr. Alex Strongin, Sanford-Burnham Medical Research Institute This functional assay was developed for detection of compounds inhibiting luciferase. These compounds would be observed as false positives of assays employing luciferase-bas... aid773.table aid773.tbin
774 65449 Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening Centers Network (MLSCN) Grant number: None A common readout in enzymatic assays is to use a coupled enzymatic reaction that in the end leads to the oxidation of NADH to NAD+ or vice versa. This results in an inexpensive readout where either the change in absorbance or fluorescence in the assay mixture is measured. Usually the last enzyme in the sequ... aid774.table aid774.tbin
775 132796 Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening Centers Network (MLSCN) Assay Provider: Dr. David S. Goldfarb, University of Rochester Award: R03 MH076395-01 There is now solid evidence for the existence of conserved pathways that regulate cell aging and senescence. These pathways may have evolved to allow eukaryotic cells and animals to remain reproductively viable for long periods during unfavor... aid775.table aid775.tbin
776 44 External Assay ID: S1P3_IC50_CS_5H1E_Antagonists Name: S1P3 Dose Response Assay Counterscreen for 5-Hydroxytryptamine(Serotonin) Receptor Subtype 1E Antagonists Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: The Scripps Research Institute Molecular Screening Center Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1 R03 MH076345-01 Description: The neur... aid776.table aid776.tbin
777 95868 Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screening Centers Network (MLSCN) The cytochrome P450 enzymes represent a diverse superfamily of hemoproteins present in eukaryotic, bacterial, and archaean systems. The primary function of these enzymes is in the metabolism and clearance of both endogenous and exogenous (xenobiotic) compounds due to their propensity to metabolize multiple substrates thro... aid777.table aid777.tbin
778 95867 Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screening Centers Network (MLSCN) The cytochrome P450 enzymes represent a diverse superfamily of hemoproteins present in eukaryotic, bacterial, and archaean systems. The primary function of these enzymes is in the metabolism and clearance of both endogenous and exogenous (xenobiotic) compounds due to their propensity to metabolize multiple substrates thro... aid778.table aid778.tbin
779 134 Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: MH077609-01 This functional assay was developed for detection of compounds inhibiting placental alkaline phosphatase. These compounds would be observed as false positives of assays employing alkaline phosphatase-based detection. This assay was primarily utilized as counter screen for EphA4 hits identified ... aid779.table aid779.tbin
780 36 Assay Provider: Colleen Niswender Assay Provider Affliation: Vanderbilt University Grant Title: Measurement of GPCR-mediated thallium flux through GIRK channels Grant Number: 1 R03 MH076398-01 The aim of this work was to use high throughput screening of a small molecule library to identify compounds that interact with the alpha2C adrenergic receptor. The assay utilized thallium influx through G-protein Inwardly Rectifying K+ (GIRK) channels as a measure of alpha2C activation. Compounds were test... aid780.table aid780.tbin
781 217516 Ultra-High Throughput Screening for 14-3-3/Bad interaction inhibitors NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Haian Fu, Emory University MLSCN Grant: 1R03MH76385-1 Assay Overview 14-3-3 proteins are a family of phosphoserine/threonine binding proteins, which consists of seven isoforms in mammalian cells (Fu et al, Ann Rev of Pharm & Tox 40:617-47; 2000). These isoforms are encoded by genes in different chro... aid781.table aid781.tbin
782 217516 Screening for Small Molecule Inhibitors of Eukaryotic Translation Initiation NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Jerry Pelletier, McGill UNIVERSITY MLSCN Grant: 1 R03 MH081216-01 Title: uHTS for Small Molecule Inhibitors of Eukaryotic Translation Initiation Assay Overview The recruitment of the 40S ribosomal subunit and associated factors (43S pre-initiation complex) to the mRNA during translation initia... aid782.table aid782.tbin
783 3 RNAi silencing of endogenous genes was performed on HeLa cells (cervical adenocarcinoma) by transfection of small interfering RNAs. aid783.table aid783.tbin
784 29549 External Assay ID: BetaGlucosidase_L444P_Primary_Screening Name: Primary Cell Based High Throughput Screening Assay for Enhancers of Beta-Glucosidase Activity Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: The Scripps Research Institute Molecular Screening Center Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: MH078940-01 Assay Overview: Gaucher dise... aid784.table aid784.tbin
785 40 The Plk1 HTS assay was developed and run at the University of Pittsburgh Molecular Screening Center (PMLSC) as part of the Molecular Library Screening Center Network (MLSCN)(1 X01 MH76330). Polo-like kinase 1 (Plk1) is a serine-threonine protein kinase that functions as a key regulator of mitosis/meiosis and cytokinesis (Barr et al., 2004). Numerous research studies have demonstrated that Plk1 gene expression is frequently up regulated in human cancers and carcinoma-derived cell lines (Simiz... aid785.table aid785.tbin
786 33 Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Centers Network (MLSCN) MLSCN Grant: XO1 MH079863-01 Over-expression of molecular chaperones occurs commonly in cancers and provides protection from a wide variety of cellular stresses, both endogenous and iatrogenic. Molecular chaperones also play important roles in maintaining the activity of several signal-transducing proteins and transcriptions fac... aid786.table aid786.tbin
787 184 Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pennsylvania MLSCN Grant: X01-MH076406-01 Complement factor C1s (EC 3.4.21.42) is a trypsin-like serine protease that is activated in one of the first steps in the classical complement cascade. Despite the essential role for the complement cascade in immune defense, unregulated activation leading to acute inflammation and tissue damage has been implica... aid787.table aid787.tbin
788 320 Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening Centers Network (MLSCN) Assay Provider: Dr. Edina Harsay, University of Kansas Award: X01-MH077628-01 Chemical Genetic Screens to Identify Modulators of Post-Golgi Transport The intracellular transport and targeted delivery of cell surface and secreted proteins is a fundamental process in all eukaryotic cells. The regulation of membrane transport pa... aid788.table aid788.tbin
789 320 Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening Centers Network (MLSCN) Assay Provider: Dr. Edina Harsay, University of Kansas Award: X01-MH077628-01 Chemical Genetic Screens to Identify Modulators of Post-Golgi Transport The intracellular transport and targeted delivery of cell surface and secreted proteins is a fundamental process in all eukaryotic cells. The regulation of membrane transport pa... aid789.table aid789.tbin
790 320 Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening Centers Network (MLSCN) Assay Provider: Dr. Edina Harsay, University of Kansas Award: X01-MH077628-01 Chemical Genetic Screens to Identify Modulators of Post-Golgi Transport The intracellular transport and targeted delivery of cell surface and secreted proteins is a fundamental process in all eukaryotic cells. The regulation of membrane transport pa... aid790.table aid790.tbin
791 23 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Scripps Florida Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: None Name: Dose-response biochemical assay of Rho kinase 2 (Rock2) inhibitors Description: Rho-Kinase is a serine/threonine kinase involved in the regulation of smooth muscle contraction and cytoskeletal reorganization of nonmuscle cells (... aid791.table aid791.tbin
792 448 Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD), University of Pennsylvania Assay Provider: Dr. Graham Pavitt, University of Manchester, U.K. MLSCN Grant: X01-MH077608-01 eIF2B is a translation initiation factor that functions in the first step of protein synthesis. It is a guanine-nucleotide exchange factor (GEF), converting eIF2 (inactive GDP-bound form) to eIF2GTP (active). Mutations of eIF2B manifest as a dysfunction in brain myelin leading to i... aid792.table aid792.tbin
793 140109 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Scripps Florida Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number 1 R21 NS056950-01 (Fast Track) PI: Claes Wahlestedt External Assay ID: NPY-Y2_ANT_CNGC_1536_%INH Name: Primary cell based high-throughput screening assay for antagonists of neuropeptide Y receptor Y2 (NPY-Y2) Description: Neuropeptide Y (NPY) is a n... aid793.table aid793.tbin
794 753 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Scripps Florida Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: Not Applicable PI: Peter Hodder External Assay ID: FAK_INH_TRFRET_1536_%INH_3X# Name: Confirmation biochemical assay for inhibitors of Focal Adhesion Kinase (FAK) Description: The focal adhesion kinase (FAK) is a tyrosine kinase involved in g... aid794.table aid794.tbin
795 23718 University of New Mexico Assay Overview Assay Support: 1 X01 MH078937-01 MLSCN Assay for Activators of Prostate Cell Differentiation PI: Todd A. Thompson, PhD Assay Implementation: Mark Haynes PhD, Mark Carter MS Assay Background and Significance: Prostate cancer is the third leading cause of cancer-related deaths among men in the United States [Jemal A, et al. 2005]. Although there is no known etiology, the majority of cases are adenocarcinomas that develop from glandular epithelium by sub... aid795.table aid795.tbin
796 94275 Inflammatory disease requires that endothelial cells detect and amplify a pro-inflammatory signal. This results in the adherence, activation, and ultimately transmigration of lymphocytes at the site of damage (Pober, 2002). Drugs that block this process would significantly alleviate the symptoms of inflammation. Our assay detects an early event in this process, the nuclear translocation of the transcription factor, NFkappaB (Senftleben, et al., 2002). Chronic inflammatory disease is believed to p... aid796.table aid796.tbin
797 196173 The PKD HTS assay was developed and run at the University of Pittsburgh Molecular Screening Center (PMLSC) as part of the Molecular Library Screening Center Network (MLSCN)(1R03DA24898-01). Protein kinase D (PKD) is a novel family of serine/threonine kinases targeted by diacylglycerol. It regulates many fundamental cell functions including cell proliferation, survival, differentiation and protein trafficking, and plays important roles in pathological conditions such as cardiac hypertrophy and c... aid797.table aid797.tbin
798 218784 Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsylvania MLSCN Grant: X01-MH076406-01 Target Factor XI (FXI) circulates as a complex with high molecular weight kininogen (HK) in the plasma at a concentration of 5 ug/ml (equivalent to 31.3 nM, dimeric concentration) as a homodimeric glycosylated blood plasma zymogen of approximately 160 kDa, containing monomeric subunits of 80 kDa each (1). Throm... aid798.table aid798.tbin
799 138738 Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening Centers Network (MLSCN) Submitted by Dr. Gary A. Piazza (Southern Research Institute) in collaboration with Sharon Terry (Genetic Alliance) Proposal number 1X01-MH077620-01 Pseudoxanthoma elasticum (PXE) is a rare genetic disorder, which involves damage to connective tissues that result in multiple manifestations including skin abnormalities, blindne... aid799.table aid799.tbin
800 217502 Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsylvania MLSCN Grant: X01-MH076406-01 Target Factor XII (FXII) is a 80 kDa zymogen found at a concentration of 0.375 uM in plasma, and upon activation by kallikrein at R353, a disulfide-linked two chain molecule called factor XIIa alpha (FXIIa) is generated. FXIIa is also capable of autoactivation by binding to negatively charged surfaces (1). K... aid800.table aid800.tbin
801 26 NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Eric Sandberg, ZYGOGEN, LLC MLSCN Grant: 1 X01 MH077629-01 Assay Overview: Pathological angiogenesis contributes to over 70 diseases, including cancer, age-related macular degeneration and rheumatoid arthritis. Current in vitro models employed in screening compounds for effects on angiogenesis lack the biological complexity of in vivo systems. Zygogen, LLC developed a r... aid801.table aid801.tbin
802 94508 Cytokines such as TNF alpha and IL-1B activate a pro-inflammatory response in endothelial cells by nuclear translocation of the NFkB transcription factor (1). This response induces the transcription of pro-inflammatory genes including, at late times, the cell adhesion molecule, VCAM-1 (Vascular Cell Adhesion Molecule - 1) (2). The resulting cell surface expression of VCAM-1 upon stimulation with cytokines in primary human umbilical vein cells (HUVEC cells) provides a read-out to study the effec... aid802.table aid802.tbin
803 140109 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Florida Research Institute, TSRI Assay Provider: Steven Brown, TSRI Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1 R21 NS057101-01 PI: Steven Brown External Assay ID: GALR2_AG_BLA_1536_%ACT Name: Primary cell-based high-throughput screening assay to identify agonists of Galanin Receptor 2 (GALR2) Description: Galanin, a 29 amino acid neuropeptide... aid803.table aid803.tbin
804 138758 Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening Centers Network (MLSCN) Assay Provider: Dr. David S. Goldfarb, University of Rochester Award: R03 MH076395-01 There is now solid evidence for the existence of conserved pathways that regulate cell aging and senescence. These pathways may have evolved to allow eukaryotic cells and animals to remain reproductively viable for long periods during unfavor... aid804.table aid804.tbin
805 15 Principal Investigator: Bruce S. Edwards, Ph.D (BEdwards@salud.unm.edu) Grant: NIH 1R03MH076381-01 Screening Center: New Mexico Molecular Libraries Screening Center Background/Significance Formyl peptide receptors. The G-protein coupled formylpeptide receptor(FPR) was one of the originating members of the chemoattractant receptor superfamily (1, 2). N-formylated peptides such as fMLF are high affinity FPR ligands that trigger a variety of biologic activities in myeloid cells, including chemoki... aid805.table aid805.tbin
806 305 Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening Centers Network (MLSCN) Assay Provider: Dr. William E. Severson, Southern Research Institute Award: R03 MH081270-01 Currently, there is no commercially available vaccine to protect humans against the highly pathogenic avian influenza H5N1 virus that is spreading across Asia, Europe, and Africa. Since humans have no immunity against any H5 viruses, th... aid806.table aid806.tbin
807 9532 Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening Centers Network (MLSCN) Submitted by Dr. Gary A. Piazza (Southern Research Institute) in collaboration with Sharon Terry (Genetic Alliance) Proposal number 1X01-MH077620-01 Pseudoxanthoma elasticum (PXE) is a rare genetic disorder, which involves damage to connective tissues that result in multiple manifestations including skin abnormalities, blindne... aid807.table aid807.tbin
808 92911 Cytokines such as TNF alpha and IL-1B activate a pro-inflammatory response in endothelial cells by nuclear translocation of the NFkB transcription factor (1). This response induces the transcription of pro-inflammatory genes including, at late times, the cell adhesion molecule, VCAM-1 (Vascular Cell Adhesion Molecule - 1) (2). The resulting cell surface expression of VCAM-1 upon stimulation with cytokines in primary human umbilical vein cells (HUVEC cells) provides a read-out to study the effec... aid808.table aid808.tbin
809 499 Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening Centers Network (MLSCN) Assay Provider: Dr. David S. Goldfarb, University of Rochester Award: R03 MH076395-01 There is now solid evidence for the existence of conserved pathways that regulate cell aging and senescence. These pathways may have evolved to allow eukaryotic cells and animals to remain reproductively viable for long periods during unfavor... aid809.table aid809.tbin
810 210 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Scripps Florida Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: Not Applicable PI: Peter Hodder External Assay ID: FAK_INH_TRFRET_1536_IC50 Name: Dose-response biochemical assay for inhibitors of Focal Adhesion Kinase (FAK) Description: The focal adhesion kinase (FAK) is a tyrosine kinase involved i... aid810.table aid810.tbin
811 15680 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: The Scripps Research Institute Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1R03MH081265-01 PI: PI Peter Tobias External Assay ID: TLR4-MYD88_Antagonist BLA Enzyme Complementation Name: Primary Cell Based High Throughput Screening Assay for Inhibitors of TLR4-MyD88 binding Description In atheroscleros... aid811.table aid811.tbin
812 499 Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening Centers Network (MLSCN) Assay Provider: Dr. David S. Goldfarb, University of Rochester Award: R03 MH076395-01 There is now solid evidence for the existence of conserved pathways that regulate cell aging and senescence. These pathways may have evolved to allow eukaryotic cells and animals to remain reproductively viable for long periods during unfavor... aid812.table aid812.tbin
813 64394 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Proposal Number: 1R03 MH082385-01 Alkaline phosphatases (EC 3.1.3.1) (APs) catalyze the hydrolysis of phosphomonoesters, releasing phosphate and alcohol. APs are dimeric enzymes found in the most organisms. In human, four isozymes of APs have been identified. Three isozymes ... aid813.table aid813.tbin
814 24 Data Source: SRMLSC (Her2) Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening Centers Network (MLSCN) Assay Provider: Dr. Gabriela Chiosis, Memorial Sloan-Kettering Cancer Center Award: 1R03MH076408-012 Her2 (ErbB2) protein is over-expressed in breast and other solid tumors and is often mutated in patients with progressive disease. Her2 is a member of a family of four transmembrane tyrosine kinase r... aid814.table aid814.tbin
815 34 Emory Chemistry-Biology Discovery Center Assay Overview: Grant number: none Paramyxoviruses comprise several major human pathogens. Although a live-attenuated vaccine protects against measles virus (MV), a member of the paramyxovirus family, the virus remains a principal cause of worldwide mortality and accounts for approximately 21 million cases and 300,000 to 400,000 deaths annually. The development of novel antivirals that allow improved case management of severe measles and silence viral out... aid815.table aid815.tbin
816 499 Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening Centers Network (MLSCN) Assay Provider: Dr. David S. Goldfarb, University of Rochester Award: R03 MH076395-01 There is now solid evidence for the existence of conserved pathways that regulate cell aging and senescence. These pathways may have evolved to allow eukaryotic cells and animals to remain reproductively viable for long periods during unfavor... aid816.table aid816.tbin
817 138758 NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Paul De Figueiredo, Texas A&M University System MLSCN Grant: 1 X01 MH079865-01 Assay Overview: Shwachman-Diamond Syndrome (SDS) is an autosomal recessive genetic syndrome that results in hematopoietic defects as well as impaired pancreatic function and skeletal development (1, 2). Presently, therapeutic options are limited to supportive care or bone marrow transplant, ... aid817.table aid817.tbin
818 138758 Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening Centers Network (MLSCN) Submitted by Dr. Todd Waldman (Lombardi Cancer Center, Georgetown University School of Medicine) Award: R03-NS053741 Numerous genes have been identified which participate, either through activation (oncogenes) or inactivation (tumor suppressors), in the multifactorial process of carcinogenesis (Vogelstein B and Kinzler KW, 200... aid818.table aid818.tbin
819 94241 Inflammatory disease requires that endothelial cells detect and amplify a pro-inflammatory signal. This results in the adherence, activation, and ultimately transmigration of lymphocytes at the site of damage (Pober, 2002). This assay detects an early event in this process, the nuclear translocation of the transcription factor, NFkappaB (Senftleben, et al., 2002). Chronic inflammatory disease is believed to pose a tremendous medical burden in the developed world, not only in terms of patient suf... aid819.table aid819.tbin
820 75 Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Network (MLSCN) Assay Provider: Scott Diamond, University of Pennsylvania Grant number: MH076406-01 Human liver cathepsin B (EC 3.4.22.1) is a lysosomal cysteine protease. There has been a recent resurgence of interest in cathepsin B due to research showing that proteolysis by this enzyme is required for the entry and replication of the Ebola and SARS v... aid820.table aid820.tbin
821 697 Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening Centers Network (MLSCN) Assay Provider: Dr. Zhican Qu, Southern Research Institute Award: X01MH079851-01 Angiogenesis is the process of new blood vessel formation, which is believed to be involved in many human diseases including cancer, diabetic retinopathy, and rheumatoid arthritis (Carmeliet, 2005). Endothelial cell proliferation is known to occur... aid821.table aid821.tbin
822 697 Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening Centers Network (MLSCN) Assay Provider: Dr. Zhican Qu, Southern Research Institute Award: X01MH079851-01 Angiogenesis is a process of new blood vessel formation. Endothelial cell proliferation is an essential step during the angiogenesis process and is involved in many human diseases including cancer, diabetic retinopathy, and rheumatoid arthritis (C... aid822.table aid822.tbin
823 9532 Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening Centers Network (MLSCN) Submitted by Dr. Todd Waldman (Lombardi Cancer Center, Georgetown University School of Medicine) Award: R03-NS053741 Numerous genes have been identified which participate, either through activation (oncogenes) or inactivation (tumor suppressors), in the multifactorial process of carcinogenesis (Vogelstein B and Kinzler KW, 200... aid823.table aid823.tbin
824 9532 Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening Centers Network (MLSCN) Submitted by Dr. Todd Waldman (Lombardi Cancer Center, Georgetown University School of Medicine) Award: 1R03NS050857-01 Numerous genes have been identified which participate, either through activation (oncogenes) or inactivation (tumor suppressors), in the multifactorial process of carcinogenesis (Vogelstein B and Kinzler KW, ... aid824.table aid824.tbin
825 102 Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Network (MLSCN) Assay Provider: Scott Diamond, University of Pennsylvania Grant number: MH076406-01 Human liver cathepsin L (EC 3.4.22.15) is a lysosomal cysteine protease. Recent interest in cathepsin L has been generated by research showing that proteolysis by this enzyme is required for the entry and replication of the SARS and Ebola viruses in human... aid825.table aid825.tbin
826 105 Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Network (MLSCN) Assay Provider: Arkady Mustaev, Public Health Research Institute, Newark, NJ Grant number: MH076325-01 DNA-directed RNA polymerase (EC 2.7.7.6) is responsible for bacterial RNA synthesis and as such is essential for bacterial gene expression. Owing to its central role in DNA transcription, the enzyme RNA polymerase is the target of vario... aid826.table aid826.tbin
827 138438 Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening Centers Network (MLSCN) Submitted by Dr. Todd Waldman (Lombardi Cancer Center, Georgetown University School of Medicine) Award: 1R03NS050857-01 Numerous genes have been identified which participate, either through activation (oncogenes) or inactivation (tumor suppressors), in the multifactorial process of carcinogenesis (Vogelstein B and Kinzler KW, ... aid827.table aid827.tbin
828 140109 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Florida Research Institute, TSRI Assay Provider: Steven Brown, TSRI Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1 R21 NS057101-01 PI: Steven Brown External Assay ID: GALR2_ANT_BLA_1536_%INH Name: Primary cell-based high-throughput screening assay to identify antagonists of Galanin Receptor 2 (GALR2) Description: Galanin, a 29 amino acid neurope... aid828.table aid828.tbin
829 21 Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsylvania MLSCN Grant: X01-MH076406-01 The classical pathway mediates specific antibody responses. The classical pathway is initiated by the binding of antibodies to cell surface antigens. Subsequent binding of the antibody to complement C1q subunits of C1 result in catalytically active C1s subunits. The two activated C1s subunits are then able to cata... aid829.table aid829.tbin
830 56 Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Network (MLSCN) Assay Provider: Scott Diamond, University of Pennsylvania Grant number: MH076406-01 One of our goals at the Penn Center for Molecular Discovery (PCMD) is to develop capabilities for screening multiple members of target classes, for example cysteine and serine proteases. Many HTS labs focus effort on one target of interest within a class ... aid830.table aid830.tbin
831 129 Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Network (MLSCN) Assay Provider: Scott Diamond, University of Pennsylvania Grant number: MH076406-01 Human cathepsin S (EC 3.4.22.27) is a lysosomal cysteine protease that is expressed in antigen-presenting cells, especially dendritic cells, B-cells and macrophages. Cathepsin S plays a key role in the processing of antigenic peptides for presentation by ... aid831.table aid831.tbin
832 93 Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Network (MLSCN) Assay Provider: Scott Diamond, University of Pennsylvania Grant number: MH076406-01 Cathepsin G (EC 3.4.21.20) is a chymotrypsin-like serine protease that is secreted from neutrophils. Disregulated cathepsin G activity is implicated in the progression of various chronic inflammatory diseases such as asthma and chronic pulmonary obstructi... aid832.table aid832.tbin
833 16000 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Steven Brown, TSRI Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1R21NS057101-01 PI: Steven Brown External Assay ID: GALR2_Agonist_BLAReporter_MaybridgeHitFinder_PrimaryScreen Name: Primary Cell Based High Throughput Screening Assay for Agonists of GALR2 Description: Galanin is a 29 amino acid neuro... aid833.table aid833.tbin
834 84889 Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Kim Lewis, Northeastern University, Boston, MA MLSCN Grant: X01 MH080686-01 This screen is for compounds that are potentiators of the antifungal drug clotrimazole that are active against multidrug tolerant persister cells of Candida albicans biofilms. Biofilms are notoriously resistant to antimicrobial therapy, but the mechanism of resistance remains largely unknown. The recently charact... aid834.table aid834.tbin
835 128 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Peter Kuhn, TSRI Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1 X01 MH079857-01 Grant Proposal PI: Peter Kuhn External Assay ID: EphB4TNYLRAW_INH_FP_1536_IC50 Name: Dose-response biochemical assay for antagonists of the interaction between the Eph receptor B4 (EphB4) and its ligand ephrin-B2 via TNYL... aid835.table aid835.tbin
836 91307 Data Source: Columbia University Molecular Screening Center Source (MLSCN Center Name): Columbia University Molecular Screening Center Center Affiliation: Columbia University Molecular Screening Center Assay Provider: Thomas Mayer, Columbia University Molecular Screening Center Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1R03 MH076343-01 During inflammation, cytokine activation of the NFkB signaling pathway results in, among others, VCAM-1 (Vascular Cell ... aid836.table aid836.tbin
837 171 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: James R. Williamson, TSRI Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1 X01 MH078935-01 Grant Proposal PI: James R. Williamson External Assay ID: HIVREVRRE_INH_FRET_1536_3X%INH Name: Confirmation biochemical assay for inhibitors of the HIV Rev-RRE RNA interaction (disruption of protein-RNA interact... aid837.table aid837.tbin
838 50 Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening Centers Network (MLSCN) Award: 1R03MH076412-01 Multi-drug resistant Mycobacterium tuberculosis is becoming an increased health problem, especially in immunocompromised individuals with HIV. This form of TB is more difficult to treat and as a result has a higher mortality rate. Because of this, the discovery of drugs targeting novel pathways such as t... aid838.table aid838.tbin
839 24 Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening Centers Network (MLSCN) Assay Provider: Dr. Edina Harsay, University of Kansas Award: X01-MH077628-01 Chemical Genetic Screens to Identify Modulators of Post-Golgi Transport The intracellular transport and targeted delivery of cell surface and secreted proteins is a fundamental process in all eukaryotic cells. The regulation of membrane transport pa... aid839.table aid839.tbin
840 271 We analyzed the RNAi induced by a large subset of our siRNA library. The targets of this library include genes with a broad range of known and putative cancer-related functions including classical oncogenes and tumor suppressors, established and putative anti-cancer targets (primary and metastatic) and proteins associated with anti-cancer chemotherapeutic responses. Overall, we characterized the target specific effects of 258 synthetic siRNAs on mRNA levels corresponding to 129 human genes. To co... aid840.table aid840.tbin
841 137798 Emory Chemistry-Biology Discovery Center Assay Overview: Grant number: none Paramyxoviruses comprise several major human pathogens. Although a live-attenuated vaccine protects against measles virus (MV), a member of the paramyxovirus family, the virus remains a principal cause of worldwide mortality and accounts for approximately 21 million cases and 300,000 to 400,000 deaths annually. The development of novel antivirals that allow improved case management of severe measles and silence viral out... aid841.table aid841.tbin
842 28 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: James R. Williamson, TSRI Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1 X01 MH078935-01 Grant Proposal PI: James R. Williamson External Assay ID: HIVREVRRE_INH_FRET_1536_ IC50 Name: Dose response biochemical assay to identify inhibitors of the HIV Rev - RRE RNA interaction (disruption of protein-RNA... aid842.table aid842.tbin
843 63 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Hugh Rosen, TSRI Grant Proposal Number: 1 R03 MH076533-01 Grant Proposal PI: Germana Sanna External Assay ID: Counterscreen for S1P2 Agonists: Dose Response High Throughput Cell-Based Screen to Identify Activators of CRE-BLA Name: CRE_AG_BLA_384_EC50_%ACT Description: Sphingosine 1-phosphate (S1P) influences heart rate [1,2], corona... aid843.table aid843.tbin
844 803 Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening Centers Network (MLSCN) Award 1X01-MH077620-01: Submitted by Dr. Gary A. Piazza (Southern Research Institute) in collaboration with Sharon Terry (Genetic Alliance) Pseudoxanthoma elasticum (PXE) is a rare genetic disorder (Bergen, 2007), which involves damage to connective tissues that result in multiple manifestations including skin abnormalities, b... aid844.table aid844.tbin
845 94241 Data Source: Columbia University Molecular Screening Center Source (MLSCN Center Name): Columbia University Molecular Screening Center Center Affiliation: Columbia University Molecular Screening Center Assay Provider: Thomas Mayer, Columbia University Molecular Screening Center Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1R03MH076344-01 Inflammatory disease requires that endothelial cells detect and amplify a pro-inflammatory signal. This results in the adh... aid845.table aid845.tbin
846 302 Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsylvania MLSCN Grant: X01-MH076406-01 Target Factor XI (FXI) circulates as a complex with high molecular weight kininogen (HK) in the plasma at a concentration of 5 ug/ml (equivalent to 31.3 nM, dimeric concentration) as a homodimeric glycosylated blood plasma zymogen of approximately 160 kDa, containing monomeric subunits of 80 kDa each (1). Throm... aid846.table aid846.tbin
847 41218 Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening Centers Network (MLSCN) (Proposal number 1R03MH076408-012) Submitted by Gabriela Chiosis of the Memorial Sloan-Kettering Institute for Cancer Research Compounds that inhibit tumor cell growth may have cytotoxic or cytostatic effects and vary widely in structure and mechanism of action. Cancer chemotherapeutic drugs inhibit tumor cell growth by disru... aid847.table aid847.tbin
848 92911 Data Source: Columbia University Molecular Screening Center Source (MLSCN Center Name): Columbia University Molecular Screening Center Center Affiliation: Columbia University Molecular Screening Center Assay Provider: Thomas Mayer, Columbia University Molecular Screening Center Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1R03 MH076343-01 During inflammation, cytokine activation of the NFkB signaling pathway results in, among others, VCAM-1 (Vascular Cell A... aid848.table aid848.tbin
849 759 Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening Centers Network (MLSCN) Assay Provider: Dr. David S. Goldfarb, University of Rochester Award: R03 MH076395-01 There is now solid evidence for the existence of conserved pathways that regulate cell aging and senescence. These pathways may have evolved to allow eukaryotic cells and animals to remain reproductively viable for long periods during unfavor... aid849.table aid849.tbin
850 759 Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening Centers Network (MLSCN) Assay Provider: Dr. David S. Goldfarb, University of Rochester Award: R03 MH076395-01 There is now solid evidence for the existence of conserved pathways that regulate cell aging and senescence. These pathways may have evolved to allow eukaryotic cells and animals to remain reproductively viable for long periods during unfavor... aid850.table aid850.tbin
851 82 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Hugh Rosen, TSRI Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1 R03 MH076533-01 Grant Proposal PI: Germana Sanna External Assay ID: S1P2_ANT_BLA_384_IC50 Name: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor Description: Sphingosine 1-phosphate (S1P) influences heart rate [1,2... aid851.table aid851.tbin
852 649 Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsylvania MLSCN Grant: X01-MH076406-01 Target Factor XII (FXII) is a 80 kDa zymogen found at a concentration of 0.375 uM in plasma, and upon activation by kallikrein at R353, a disulfide-linked two chain molecule called factor XIIa alpha (FXIIa) is generated. FXIIa is also capable of autoactivation by binding to negatively charged surfaces (1). K... aid852.table aid852.tbin
853 46736 Data Source: Columbia University Molecular Screening Center Source (MLSCN Center Name): Columbia University Molecular Screening Center Center Affiliation: Columbia University Molecular Screening Center Assay Provider: Drs. A Yamamoto and JE Rothman, Department of Physiology and Cellular Biophysics at Columbia University. Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1R03MH076348-01 The neurodegenerative disorder Huntington's Disease is caused by a polyglutami... aid853.table aid853.tbin
854 63 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Hugh Rosen, TSRI Grant Proposal Number: 1 R03 MH076533-01 Grant Proposal PI: Germana Sanna External Assay ID: S1P2_AG_BLA_384_EC50 Name: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor Description: Sphingosine 1-phosphate (S1P) influences heart rate [1, 2], coronary artery caliber, endothelial integrity, lung epithe... aid854.table aid854.tbin
855 564 Dose Response Confirmation for Small Molecule Inhibitors of Eukaryotic Translation Initiation NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Jerry Pelletier, McGill UNIVERSITY MLSCN Grant: 1 R03 MH081216-01 Title: Dose Response Confirmation for Small Molecule Inhibitors of Eukaryotic Translation Initiation Assay Overview The recruitment of the 40S ribosomal subunit and associated factors (43S pre-initiation complex... aid855.table aid855.tbin
856 82 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Hugh Rosen, TSRI Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1 R03 MH076533-01 Grant Proposal PI: Germana Sanna External Assay ID: CRE _ANT_BLA_384_IC50_Counterscreen_ S1P2_Hits Name: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA Descript... aid856.table aid856.tbin
857 457 Assay Provider: Val Watts Assay Provider Affiliation: Purdue University Grant Title: Allosteric Modulators of D1 Receptors Grant Number: 1 X01 MH077619-01 Dopamine receptors have been classified into two large families, the D1-like and the D2-like (Neve et al., 2004). Members of the D1-like receptor family include D1 and D5 dopamine receptors. Activation of D1-like receptors stimulate Gs which in turn activates adenylate cyclase resulting in enhanced cyclic AMP accumulation (Neve et al., 2004). ... aid857.table aid857.tbin
858 517 Assay Provider: Val Watts Assay Provider Affiliation: Purdue University Grant Title: Allosteric Modulators of D1 Receptors Grant Number: 1 X01 MH077619-01 Dopamine receptors have been classified into two large families, the D1-like and the D2-like (Neve et al., 2004). Members of the D1-like receptor family include D1 and D5 dopamine receptors. Activation of D1-like receptors stimulate Gs which in turn activates adenylate cyclase resulting in enhanced cyclic AMP accumulation (Neve et al., 2004). ... aid858.table aid858.tbin
859 591 Assay Provider: P. Jeffrey Conn Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of novel allosteric modulators of the M1 muscarinic receptor Grant Number: 1 R03 MH077606-01 The M1 muscarinic receptor is thought to be an important therapeutic target in schizophrenia. A cell-based fluorometric calcium assay was developed for high throughput screening. This assay was used to identify compounds with high selectivity for the M1 receptor subtype that act at an allosteric site ... aid859.table aid859.tbin
860 719 Assay Provider: P. Jeffrey Conn Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of novel allosteric modulators of the M1 muscarinic receptor Grant Number: 1 R03 MH077606-01 The M1 muscarinic receptor is thought to be an important therapeutic target in schizophrenia. A cell-based fluorometric calcium assay was developed for high throughput screening. This assay was used to identify compounds with high selectivity for the M1 receptor subtype that act at an allosteric site ... aid860.table aid860.tbin
861 196012 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Peter Tobias, TSRI Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1 X01 MH079857-01 Grant Proposal PI: Peter Tobias External Assay ID: TLR4-MyD88 _INH_ BLA_1536_%INH Name: Primary cell-based high-throughput screening assay for inhibitors of TLR4-MyD88 binding Description: In atherosclerosis, kidney t... aid861.table aid861.tbin
862 194698 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: David Frank, Dana-Farber Cancer Institute Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1 X01 MH079826-01 Grant Proposal PI: David Frank External Assay ID: STAT3_INH_LUMI_1536_%INH Name: Primary cell-based high throughput screening assay to identify inhibitors of STAT3 Description: The signal... aid862.table aid862.tbin
863 15 Principal Investigator: Bruce S. Edwards, Ph.D Grant: NIH 1R03MH076381-01 Screening Center: New Mexico Molecular Libraries Screening Center Assay Background and Significance Formyl peptide receptors. The G-protein coupled formylpeptide receptor (FPR) was one of the originating members of the chemoattractant receptor superfamily (Le et al., 2002a; Oppenheim et al., 1991). N-formylated peptides such as fMLF are high affinity FPR ligands that trigger a variety of biologic activities in myeloid ce... aid863.table aid863.tbin
864 455 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Florida Research Institute, TSRI Assay Provider: Steven Brown, TSRI Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1 R21 NS057101-01 Grant Proposal PI: Steven Brown External Assay ID: GALR2_AG_BLA_1536_3X%ACT Name: Confirmatory cell-based high-throughput screening assay to identify agonists of galanin receptor 2 (GALR2) Description: Galanin, a 29 a... aid864.table aid864.tbin
865 455 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Florida Research Institute (TSRI) Assay Provider: Steven Brown, TSRI Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1 R21 NS057101-01 Grant Proposal PI: Steven Brown External Assay ID: NFAT_ACT_BLA_1536_3X%ACT Name: Counterscreen for agonists of galanin receptor 2 (GalR2): a cell-based high-throughput screening assay for activators of beta-lactamase ... aid865.table aid865.tbin
866 478 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Steven Brown, TSRI Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1 R21 NS057 101-01 Grant Proposal PI: Steven Brown External Assay ID: GALR2_ANT_BLA_1536_3X%INH Name: Confirmatory cell-based high-throughput screening assay to identify antagonists of galanin receptor 2 (GALR2) Description: Galanin, a 29 ami... aid866.table aid866.tbin
867 478 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Steven Brown, TSRI Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1 R21 NS057101-01 Grant Proposal PI: Steven Brown External Assay ID: NFAT_INH_BLA_1536_3X%INH Name: Counterscreen for antagonists of galanin receptor 2 (GalR2): a cell-based high-throughput screening assay for inhibitors of beta-lactamase activ... aid867.table aid867.tbin
868 194582 Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening Centers Network (MLSCN) Assay Provider: Dr. Eric Weiss, Northwestern University Award: 1R21NS056968-01 A screen for inhibitors of the budding yeast RAM network The RAM network is a novel and highly conserved signaling pathway involved in maintenance of polarized growth, cell proliferation, and control of gene expression. The pathway is well conserve... aid868.table aid868.tbin
869 9532 Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening Centers Network (MLSCN) Assay Provider: Dr. Eric Weiss, Northwestern University Award: 1R21NS056968-01 A screen for inhibitors of the budding yeast RAM network The RAM network is a novel and highly conserved signaling pathway involved in maintenance of polarized growth, cell proliferation, and control of gene expression. The pathway is well conserve... aid869.table aid869.tbin
871 194698 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: David Frank, Dana Farber Cancer Institute Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1 X01 MH079826-01 Grant Proposal PI: David Frank External Assay ID: STAT3_POT_LUC_1536_%ACT Name: Primary cell-based high throughput screening assay to measure STAT3 activation. Description: The signal transdu... aid871.table aid871.tbin
872 59 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Hugh Rosen, TSRI Grant Proposal Number: 1 R03 MH076533-01 Grant Proposal PI: Germana Sanna External Assay ID: S1P2_AG_BLA_384_EC50_Purchased_Analogues Name: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor of Purchased Analogues Description: Sphingosine 1-phosphate (S1P) influences heart rate [1, 2], coronary artery ca... aid872.table aid872.tbin
873 214261 Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsylvania MLSCN Grant: X01-MH076406-01 Target Human kallikrein 5 (hK5) is a member of the human tissue kallikrein family, which contains 15 kallikrein-like serine proteases (1). It is synthesized as a 293 amino acid zymogen, and loses a 29 amino acid signal peptide upon secretion, followed by cleavage at the Arg66-Ile67 bond, which releases a 37 ami... aid873.table aid873.tbin
874 59 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Hugh Rosen, TSRI Grant Proposal Number: 1 R03 MH076533-01 Grant Proposal PI: Germana Sanna External Assay ID: CRE_AG_BLA_384_EC50_S1P2_Purchased_Analogues Name: Counterscreen for S1P2 Agonists: Dose Response High Throughput Cell-Based Screen to Identify Activators of CRE-BLA: S1P2 Purchased Analogues Description: Sphingosine 1-phosphat... aid874.table aid874.tbin
875 75028 NIH Molecular Libraries Screening Centers Network [MLSCN] NIH Chemical Genomics Center [NCGC] MLSCN Grant: MH081227-01 PI Name: Natarajan, Amarnath; University of Texas Inhibitors of the BRCT:pBACH1 interaction should prove useful in studies of BRCA1's tumor suppression role and to potentially sensitive tumors to chemotherapeutic agents. A complex of BRCT (C-terminal portion of BRCA1, MW ~35 kDa, His-tagged) and fluorescently labeled pBACH1 phosphorylated 10 aa peptide fragment of BACH1, a helic... aid875.table aid875.tbin
876 119 List of compounds to be tested: Compounds that met the active criterion of Z-score is </= -3 in the in vitro PLK1-PBD binding primary screen AID 693, will be tested in 10-point concentration response assays in the presence of 0.5 mM DTT. The PLK-1-PBD hit characterization compound concentration dependent redox cycling H2O2 generation assay in the presence of 0.5 mM DTT, has been developed to evaluate actives that were identified in the in vitro PLK1-PBD binding primary screen AID 693, conducte... aid876.table aid876.tbin
877 117 List of compounds to be tested: Compounds that met the active criterion of Z-score is </= -3 in the in vitro PLK1-PBD binding primary screen AID 693, will be confirmed in 10-point concentration response assays. Extracted from the MH078944 proposal submitted by Dr. Michael Yaffe of MIT. The Polo-like kinases (Plks) play important roles in many cell cycle-related events including the initiation of mitosis, chromosome segregation, centrosome maturation, bipolar spindle formation, regulation of an... aid877.table aid877.tbin
878 195853 Hydrogen peroxide (H2O2) can modulate (activate or inhibit) the activity of a variety of proteins including protein kinases, protein phosphatases, transcription factors, phospholipases, ion channels and G proteins. H2O2 is capable of oxidizing the cysteine residues of proteins that may be crucial for their catalytic and/or structural function. Many proteins, including a significant number of the targets screened by the MLSCN, contain an active site cysteine that is required for biological activi... aid878.table aid878.tbin
879 1279 Assay Overview: NIH Molecular Libraries Screening Centers Network [MLSCN] NIH Chemical Genomics Center [NCGC] MLSCN Grant: NS053754-01 Assay Provider: Siderovski, David P, University of North Carolina at Chapel Hill G-protein-coupled receptors (GPCRs) are major targets for drug discovery. The regulator of G-protein signaling (RGS)-protein family has important roles in GPCR signal transduction. RGS proteins contain a conserved RGS-box, which is often accompanied by other signaling regulatory ele... aid879.table aid879.tbin
880 234161 Assay Submitter: Siderovski, David P, University of North Carolina at Chapel Hill Screening Center PI: Austin, C.P. Screening Center: NIH Chemical Genomics Center [NCGC] NIH Grant: NS053754-01 G-protein-coupled receptors (GPCRs) are major targets for drug discovery. The regulator of G-protein signaling (RGS)-protein family has important roles in GPCR signal transduction. RGS proteins contain a conserved RGS-box, which is often accompanied by other signaling regulatory elements. RGS proteins acce... aid880.table aid880.tbin
881 108408 Assay Overview: NIH Molecular Libraries Screening Centers Network [MLSCN] NIH Chemical Genomics Center [NCGC] MLSCN Grant: MH081283-01A1 PI Name: Holman, T.R., University of California, Santa Cruz Human lipoxygenase 15hLO-2 is a member of the closely related lipoxygenase family of enzymes which catalyze the site-specific oxidation of arachidonic acid to various hormone precursor molecules and as such is a candidate for drug development in a variety of disease areas, such as cancer and inflammat... aid881.table aid881.tbin
883 10320 NIH Molecular Libraries Screening Centers Network [MLSCN] NIH Chemical Genomics Center [NCGC] MLSCN Grant: None NCGC Assay Overview: The P450 gene superfamily is involved in the metabolism and clearance of xenobiotics. This assay used human CYP2C9 to measure the hydroxylation of deoxyluciferin (Luciferin-H; P450 Glo-Buffer) to luciferin. The luciferin is then measured by luminescence after the addition of a luciferase detection reagent. Luciferin-H concentration in the assay was equal to its M... aid883.table aid883.tbin
884 14155 NIH Molecular Libraries Screening Centers Network [MLSCN] NIH Chemical Genomics Center [NCGC] MLSCN Grant: None NCGC Assay Overview: The P450 gene superfamily is involved in the metabolism and clearance of xenobiotics. This assay used human CYP3A4 to measure the dealkylation of luciferin-6' phenylpiperazinylyl (Luciferin-PPXE; luciferin detection buffer) to luciferin. The luciferin is then measured by luminescence after the addition of a luciferase detection reagent. Luciferin-PPXE concentrati... aid884.table aid884.tbin
885 14155 NIH Molecular Libraries Screening Centers Network [MLSCN] NIH Chemical Genomics Center [NCGC] MLSCN Grant: None NCGC Assay Overview: The P450 gene superfamily is involved in the metabolism and clearance of xenobiotics. This assay used human CYP3A4 to measure the dealkylation of luciferin-6' phenylpiperazinylyl (Luciferin-PPXE; luciferin detection buffer) to luciferin. The luciferin is then measured by luminescence after the addition of a luciferase detection reagent. Luciferin-PPXE concentrati... aid885.table aid885.tbin
886 73252 Assay Overview: NIH Molecular Libraries Screening Centers Network [MLSCN] NIH Chemical Genomics Center [NCGC] Structural Genomics Consortium [SGC] Grant Number: None HADH2: Hydroxyacyl-Coenzyme A dehydrogenase, type II, was supplied by researchers at the Structural Genomics Consortium, Oxford University lab (PI Udo Oppermann). The mitochondrial enzyme 17-hydroxysteroid dehydrogenase type 10 (HSD17-10) previously classified as type II hydroxyacyl-CoA dehydrogenase (HADH2) catalyzes the NAD+ depe... aid886.table aid886.tbin
887 74290 Assay Overview: NIH Molecular Libraries Screening Centers Network [MLSCN] NIH Chemical Genomics Center [NCGC] MLSCN Grant: MH081283-01A1 PI Name: Holman, T.R., University of California, Santa Cruz Human lipoxygenase 15hLO-1 is a member of the closely related lipoxygenase family of enzymes which catalyze the site-specific oxidation of arachidonic acid to various hormone precursor molecules and as such is a candidate for drug development in a variety of disease areas, such as cancer and inflammat... aid887.table aid887.tbin
888 28 NIH Molecular Libraries Screening Centers Network [MLSCN] NIH Chemical Genomics Center [NCGC] MLSCN Grant: 1 X01 MH078950-01 PI Name: Dr. James Wells, Dr. Enrique Perez-Paya, Dr.Janice Williams, Dr. Dennis Wolan, Mr. Brandon Butler NCGC Assay Overview: The caspases (Cysteine Aspartyl Protease) comprise a related family of 14 dimeric proteases that are critical mediators of apoptosis (programmed cell death) and inflammation. The caspases represent an important class of drug targets for stroke,... aid888.table aid888.tbin
889 74940 NIH Molecular Libraries Screening Centers Network [MLSCN] NIH Chemical Genomics Center [NCGC] MLSCN Grant: 1 X01 MH078950-01 PI Name: Dr. James Wells, Dr. Enrique Perez-Paya, Dr.Janice Williams, Dr. Dennis Wolan, Mr. Brandon Butler NCGC Assay Overview: The caspases (Cysteine Aspartyl Protease) comprise a related family of 14 dimeric proteases that are critical mediators of apoptosis (programmed cell death) and inflammation. The caspases represent an important class of drug targets for stroke,... aid889.table aid889.tbin
890 51 NIH Molecular Libraries Screening Centers Network [MLSCN] NIH Chemical Genomics Center [NCGC] MLSCN Grant: 1 X01 MH079860-01 Assay Provider: Elisabeth D. Martinez, University of Texas SW Medical Center NCGC Assay Overview: The Locus Derepression assay detects the derepression of a GFP reporter that is stably integrated in a region of the genome of murine c127i mammary cells that is presumably silenced. GFP transcription in this construct is controlled by a CMV promoter, which normally is stron... aid890.table aid890.tbin
891 10320 NIH Molecular Libraries Screening Centers Network [MLSCN] NIH Chemical Genomics Center [NCGC] MLSCN Grant: None. NCGC Assay Overview: The P450 gene superfamily is involved in the metabolism and clearance of xenobiotics. This assay used human CYP2D6 to measure the demethylation of ethylene glycol ester of luciferin 6' methyl ether (Luciferin-ME EGE; luciferin detection buffer) to luciferin. The luciferin is then measured by luminescence after the addition of a luciferase detection reagent. Luci... aid891.table aid891.tbin
892 75028 Assay Overview: NIH Molecular Libraries Screening Centers Network [MLSCN] NIH Chemical Genomics Center [NCGC] MLSCN Grant: MH081227-01 PI Name: Natarajan, Amarnath; University of Texas Inhibitors of the BRCT:pBACH1 interaction should prove useful in studies of BRCA1's tumor suppression role and to potentially sensitive tumors to chemotherapeutic agents. A complex of BRCT (C-terminal portion of BRCA1, MW ~35 kDa, His-tagged) and fluorescently labeled pBACH1 phosphorylated 10 aa peptide fragment ... aid892.table aid892.tbin
893 75028 Assay Overview: NIH Molecular Libraries Screening Centers Network [MLSCN] NIH Chemical Genomics Center [NCGC] Structural Genomics Consortium [SGC] Grant number: None HADH2: Hydroxyacyl-Coenzyme A dehydrogenase, type II, was supplied by researchers at the Structural Genomics Consortium, Oxford University lab (PI Udo Oppermann). The mitochondrial enzyme 17-hydroxysteroid dehydrogenase type 10 (HSD17-10) previously classified as type II hydroxyacyl-CoA dehydrogenase (HADH2) catalyzes the NAD+ depen... aid893.table aid893.tbin
894 150839 Human 15-Hydroxyprostaglandin dehydrogenase (HPGD) catalyzes the inactivation of prostaglandin E2, and plays a major role in cancer biology by antagonizing the oncogenic potential of cyclooxygenase type 2 (COX2). Assays are available, based on absorbance/fluorescence increase of NADH with the substrate 15-OH prostaglandin E2. References 1. Myung SJ, Rerko RM, Yan M, Platzer P, Guda K, Dotson A, Lawrence E, Dannenberg AJ, Lovgren AK, Luo G, Pretlow TP, Newman RA, Willis J, Dawson D, Markowitz ... aid894.table aid894.tbin
895 1279 NIH Molecular Libraries Screening Centers Network [MLSCN] NIH Chemical Genomics Center [NCGC] MLSCN Grant: None NCGC Assay Overview: The TNF alpha/NFkB signaling pathway was assayed in NFkB-bla cells (Invitrogen), a ME-180 cervical carcinoma line containing a stably integrated beta-lactamase reporter gene controlled by a NFkB response element. This reporter is induced by TNF alpha at 10 pM EC50 and inhibited by the proteosome inhibitor MG-132 at approximately 100 nM IC50. The assay was screene... aid895.table aid895.tbin
896 58 NIH Molecular Libraries Screening Centers Network [MLSCN] NIH Chemical Genomics Center [NCGC] MLSCN Grant: 1 X01 MH078950-01 PI Name: Dr. James Wells, Dr. Enrique Perez-Paya, Dr.Janice Williams, Dr. Dennis Wolan, Mr. Brandon Butler NCGC Assay Overview: The caspases (Cysteine Aspartyl Protease) comprise a related family of 14 dimeric proteases that are critical mediators of apoptosis (programmed cell death) and inflammation. The caspases represent an important class of drug targets for stroke,... aid896.table aid896.tbin
897 58 NIH Molecular Libraries Screening Centers Network [MLSCN] NIH Chemical Genomics Center [NCGC] MLSCN Grant: 1 X01 MH078950-01 PI Name: Dr. James Wells, Dr. Enrique Perez-Paya, Dr.Janice Williams, Dr. Dennis Wolan, Mr. Brandon Butler NCGC Assay Overview: The caspases (Cysteine Aspartyl Protease) comprise a related family of 14 dimeric proteases that are critical mediators of apoptosis (programmed cell death) and inflammation. The caspases represent an important class of drug targets for stroke,... aid897.table aid897.tbin
898 139950 Grant number: none. Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague remains a threat in many areas in the world. Outbreaks of hundreds of cases still occur in Asia, Africa and South America and, in the United States cases are reported sporadically, mainly because of people handling infected animals or by being bitten by infected wild rodent fleas (http://www.cdc.gov). YopH (Yersinia outer protein ... aid898.table aid898.tbin
899 10320 NIH Molecular Libraries Screening Centers Network [MLSCN] NIH Chemical Genomics Center [NCGC] MLSCN Grant: None NCGC Assay Overview: The P450 gene superfamily is involved in the metabolism and clearance of xenobiotics. This assay used human CYP2C19 to measure the hydroxylation of ethylene glycol ester of 6' deoxyluciferin (Luciferin-H EGE; luciferin detection buffer) to luciferin. The luciferin is then measured by luminescence after the addition of a luciferase detection reagent. Luciferin-H E... aid899.table aid899.tbin
900 75028 NIH Molecular Libraries Screening Centers Network [MLSCN] NIH Chemical Genomics Center [NCGC] MLSCN Grant: 1 X01 MH078950-01 PI Name: Dr. James Wells, Dr. Enrique Perez-Paya, Dr.Janice Williams, Dr. Dennis Wolan, Mr. Brandon Butler NCGC Assay Overview: The caspases (Cysteine Aspartyl Protease) comprise a related family of 14 dimeric proteases that are critical mediators of apoptosis (programmed cell death) and inflammation. The caspases represent an important class of drug targets for stroke,... aid900.table aid900.tbin
901 123827 NCGC IMPase Assay Overview Lithium has been widely used for the treatment of bipolar disorder. But lithium has a narrow therapeutic index and it can cause side effects such as thirst, weight gain, tremor, polyuria and memory problems. Although the mechanism for lithium action in treatment of bipolar disorder is still not fully understood, inhibition of inositol monophosphatase (IMPase) and the subsequent depletion of the inositol pool in living cells have been implicated as the primary therapeut... aid901.table aid901.tbin
902 126600 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] MLSCN Grant: 1 X01 MH079844-01 Assay Submitter (PI): Dr. SUN, YI, University of Michigan NCGC Assay Overview: Synthetic Lethal Screen for Compounds to Kill Cancer Cells with p53 Mutation. Tumor suppressor gene p53 serves as a major cellular barrier against tumorigenesis. It has been reported that p53 mutations occurs in half of all tumors, and the other half possess alterations in the p53 pathway th... aid902.table aid902.tbin
903 54550 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] MLSCN Grant: 1 X01 MH079844-01 Assay Submitter (PI): Dr. SUN, YI, University of Michigan NCGC Assay Overview: Synthetic Lethal Screen for Compounds to Kill Cancer Cells with p53 Mutation. Tumor suppressor gene p53 serves as a major cellular barrier against tumorigenesis. It has been reported that p53 mutations occurs in half of all tumors, and the other half possess alterations in the p53 pathway th... aid903.table aid903.tbin
904 54550 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] MLSCN Grant: 1 X01 MH079844-01 Assay Submitter (PI): Dr. SUN, YI, University of Michigan NCGC Assay Overview: Synthetic Lethal Screen for Compounds to Kill Cancer Cells with p53 Mutation. Tumor suppressor gene p53 serves as a major cellular barrier against tumorigenesis. It has been reported that p53 mutations occurs in half of all tumors, and the other half possess alterations in the p53 pathway th... aid904.table aid904.tbin
905 120 NIH Molecular Libraries Screening Centers Network [MLSCN] NIH Chemical Genomics Center [NCGC] National Institutes of Environmental Health Sciences [NIEHS] National Toxicology Program [NTP] MLSCN Grant: 1X01MH079867-01 Assay Provider: Marshall W. Nirenberg, U.S. National Heart, Lung and Blood Institute NCGC Assay Overview: We have developed a 1536-well cell-based assay for quantitative high throughput screening (qHTS) against a number of cell lines to determine in vitro cytotoxicity of small mo... aid905.table aid905.tbin
906 120 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] National Institutes of Environmental Health Sciences [NIEHS] National Toxicology Program [NTP] MLSCN Grant: 1X01MH079867-01 Assay Provider: Marshall W. Nirenberg, U.S. National Heart, Lung and Blood Institute NCGC Assay Overview: We have developed a 1536-well cell-based assay for quantitative high throughput screening (qHTS) against a number of cell lines to determine in vitro cytotoxicity of small mo... aid906.table aid906.tbin
907 120 NIH Molecular Libraries Screening Centers Network [MLSCN] NIH Chemical Genomics Center [NCGC] MLSCN Grant: 1X01MH079867-01 Assay Provider: Marshall W. Nirenberg, U.S. National Heart, Lung and Blood Institute CRE Luciferase Assay Overview Memories persist for different lengths of time, from seconds or minutes to a lifetime. There are two kinds of memory: short-term memory (STM) and long-term memory (LTM). STM lasts for minutes to hours, which maybe mediated by modifications of molecules involve... aid907.table aid907.tbin
908 58 NIH Molecular Libraries Screening Centers Network [MLSCN] NIH Chemical Genomics Center [NCGC] MLSCN Grant: 1 X01 MH078950-01 PI Name: Dr. James Wells, Dr. Enrique Perez-Paya, Dr.Janice Williams, Dr. Dennis Wolan, Mr. Brandon Butler NCGC Assay Overview: The caspases (Cysteine Aspartyl Protease) comprise a related family of 14 dimeric proteases that are critical mediators of apoptosis (programmed cell death) and inflammation. The caspases represent an important class of drug targets for stroke,... aid908.table aid908.tbin
909 28 NIH Molecular Libraries Screening Centers Network [MLSCN] NIH Chemical Genomics Center [NCGC] MLSCN Grant: 1 X01 MH078950-01 PI Name: Dr. James Wells, Dr. Enrique Perez-Paya, Dr.Janice Williams, Dr. Dennis Wolan, Mr. Brandon Butler NCGC Assay Overview: The caspases (Cysteine Aspartyl Protease) comprise a related family of 14 dimeric proteases that are critical mediators of apoptosis (programmed cell death) and inflammation. The caspases represent an important class of drug targets for stroke,... aid909.table aid909.tbin
910 2385 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] MLSCN Grant: 1 X01 MH080684-01 PI Name: Dr. Ryszard Kole NCGC Assay Overview: Modulation of Alternative Splicing as Therapy Abnormal splicing is associated with a number of diseases, including cancer and genetic diseases such as cystic fibrosis, muscular dystrophy and beta-thalassemia. Alteration of disease associated splicing patterns provides a promising target for treatment. Work in the Kole labor... aid910.table aid910.tbin
911 58 NIH Molecular Libraries Screening Centers Network [MLSCN] NIH Chemical Genomics Center [NCGC] MLSCN Grant: 1 X01 MH079825-01 Assay Provider: Jeffrey A. Kuret, Ohio State University NCGC Assay Overview: This assay is a confirmation study for the qHTS Assay for Tau Filament Binding (PubChem AID 596). Tau monomers form filaments in vitro in the presence of arachidonic acid. The dye Thioflavine S (ThS) binds to tau filaments and upon binding, increases in fluorescence several fold. Small molecules... aid911.table aid911.tbin
912 70086 NIH Molecular Libraries Screening Centers Network [MLSCN] NIH Chemical Genomics Center [NCGC] MLSCN Grant: 1 X01 MH082337-01 PI Name: Dr. Thomas Bugge NCGC Assay Overview: Lethal factor (LF, 83 kDa), edema factor (98 kDa) and protective antigen (PA, 83 kDa) are lethal toxins produced by bacillus anthracis, a Gram-positive and spore-forming bacterium responsible for anthrax. While LF and EF contribute the cytotoxic activity of anthrax bacteria, PA is required for internalization of LF an EF. ... aid912.table aid912.tbin
914 11410 NIH Molecular Libraries Screening Centers Network [MLSCN] NIH Chemical Genomics Center [NCGC] MLSCN Grant: None NCGC Assay Overview: Hypoxia-inducible factor-1 (HIF-1) is the major hypoxia-regulated transcription factor that controls cellular responses to low oxygen concentration. HIF-1 is composed of two subunits: hypoxia responsive HIF-1 alpha and constitutively expressed HIF-1 beta, which is also known as aryl hydrocarbon receptor nuclear translocator. During hypoxic conditions, HIF-1 alpha... aid914.table aid914.tbin
915 11410 NIH Molecular Libraries Screening Centers Network [MLSCN] NIH Chemical Genomics Center [NCGC] MLSCN Grant: None NCGC Assay Overview: Hypoxia-inducible factor-1 (HIF-1) is the major hypoxia-regulated transcription factor that controls cellular responses to low oxygen concentration. HIF-1 is composed of two subunits: hypoxia responsive HIF-1 alpha and constitutively expressed HIF-1 beta, which is also known as aryl hydrocarbon receptor nuclear translocator. During hypoxic conditions, HIF-1 alpha... aid915.table aid915.tbin
916 120 NIH Molecular Libraries Screening Centers Network [MLSCN] NIH Chemical Genomics Center [NCGC] MLSCN Grant: 1X01MH079867-01 Assay Provider: Marshall W. Nirenberg, U.S. National Heart, Lung and Blood Institute CRE beta-lactamase Assay Overview Memories persist for different lengths of time, from seconds or minutes to a lifetime. There are two kinds of memory: short-term memory (STM) and long-term memory (LTM). STM lasts for minutes to hours, which maybe mediated by modifications of molecules inv... aid916.table aid916.tbin
917 1277 NIH Molecular Libraries Screening Centers Network [MLSCN] NIH Chemical Genomics Center [NCGC] MLSCN Grant: None NCGC Assay Overview: The thrombopoietin (TPO) signaling pathway was assayed in murine Ba/F3 cells stably transfected with the human TPO receptor and a luciferase reporter gene controlled by the Glycoprotein IIb promoter (provided by Axxam). BaF3 cells are an IL-3-dependent pro B cell line that upon TPO stimulation, undergo cell division and induce the megakaryocyte marker, Glycoprot... aid917.table aid917.tbin
918 1277 NIH Molecular Libraries Screening Centers Network [MLSCN] NIH Chemical Genomics Center [NCGC] MLSCN Grant: None NCGC Assay Overview: The thrombopoietin (TPO) signaling pathway was assayed in murine Ba/F3 cells stably transfected with the human TPO receptor and a luciferase reporter gene controlled by the Glycoprotein IIb promoter (provided by Axxam). BaF3 cells are an IL-3-dependent pro B cell line that upon TPO stimulation, undergo cell division and induce the megakaryocyte marker, Glycoprot... aid918.table aid918.tbin
919 58 NIH Molecular Libraries Screening Centers Network [MLSCN] NIH Chemical Genomics Center [NCGC] MLSCN Grant: 1 X01 MH078950-01 PI Name: Dr. James Wells, Dr. Enrique Perez-Paya, Dr.Janice Williams, Dr. Dennis Wolan, Mr. Brandon Butler NCGC Assay Overview: The caspases (Cysteine Aspartyl Protease) comprise a related family of 14 dimeric proteases that are critical mediators of apoptosis (programmed cell death) and inflammation. The caspases represent an important class of drug targets for stroke,... aid919.table aid919.tbin
920 196012 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: David Frank Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1 X01 MH079826-01 Grant Proposal PI: David Frank External Assay ID: STAT1_INH_LUMI_1536_%INH Name: Primary cell-based high throughput screening assay to identify inhibitors of STAT1 Description: The signal transducer and activator of tr... aid920.table aid920.tbin
921 1408 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] National Institutes of Environmental Health Sciences [NIEHS] National Toxicology Program [NTP] MLSCN Grant: None NCGC Assay Overview: We have developed a 1536-well cell-based assay for quantitative high throughput screening (qHTS) against a number of cell lines to determine in vitro cytotoxicity of small molecules. This particular assay uses a human lymphoblastoid cell line (LYMP2-001) purchased from ... aid921.table aid921.tbin
922 120 NIH Molecular Libraries Screening Centers Network [MLSCN] NIH Chemical Genomics Center [NCGC] MLSCN Grant: None NCGC Assay Overview: This assay is a retest of actives identified from the Stat signaling pathway assay (PubChem AID 446). The Stat assay is cell-based and measures Interleukin 6 (IL-6) mediated modulation of a beta-lactamase reporter gene controlled by a STAT inducible element (SIE-bla cells, Invitrogen). IL-6 is a cytokine that signals via the JAK/STAT pathway and is implicated in ... aid922.table aid922.tbin
923 75028 NIH Molecular Libraries Screening Centers Network [MLSCN] NIH Chemical Genomics Center [NCGC] MLSCN Grant: 1 X01 MH078950-01 PI Name: Dr. James Wells, Dr. Enrique Perez-Paya, Dr.Janice Williams, Dr. Dennis Wolan, Mr. Brandon Butler NCGC Assay Overview: The rate of false hits is dramatically reduced by the qHTS approach (Inglese et al, PNAS, 103, 1147 (2006)) as spurious high- or low-response wells are quickly revealed when plotted in the context of concentration response. Occasionally, the ar... aid923.table aid923.tbin
924 125218 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] MLSCN Grant: 1 X01 MH079844-01 Assay Submitter (PI): Dr. SUN, YI, University of Michigan NCGC Assay Overview: Synthetic Lethal Screen for Compounds to Kill Cancer Cells with p53 Mutation. Tumor suppressor gene p53 serves as a major cellular barrier against tumorigenesis. It has been reported that p53 mutations occurs in half of all tumors, and the other half possess alterations in the p53 pathway th... aid924.table aid924.tbin
925 65077 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] MLSCN Grant: 1 X01 MH080684-01 PI Name: Dr. Ryszard Kole NCGC Assay Overview: Modulation of Alternative Splicing as Therapy Abnormal splicing is associated with a number of diseases, including cancer and genetic diseases such as cystic fibrosis, muscular dystrophy and beta-thalassemia. Alteration of disease associated splicing patterns provides a promising target for treatment. Work in the Kole labor... aid925.table aid925.tbin
926 73162 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] MLSCN Grant: 1 X01 MH080680-01 PI Name: Dr. Marvin Gershengorn, NIH NCGC Assay Overview: Thyroid Stimulating Hormone Receptor TSH is an alpha/beta heterodimeric glycoprotein hormone secreted from the anterior pituitary gland which belongs to the glycoprotein hormone family. The actions of TSH are mediated by a seven-transmembrane receptor, which upon TSH binding couples preferentially to the G-alpha ... aid926.table aid926.tbin
927 59724 NIH Molecular Libraries Screening Centers Network [MLSCN] NIH Chemical Genomics Center [NCGC] MLSCN Grant: XO1-MH079852-01 PI Name: Nicholson, Ben. Progenra Inc, Malvern, PA NCGC Assay Overview: Homeostasis of cellular proteins is maintained through a combination of synthesis and degradation. The pathway that accounts for the majority of protein degradation is the ubiquitin-proteasomal pathway. Ubiquitin (Ub) is highly conserved in all cells and the generation of a multi-Ub chain typically tar... aid927.table aid927.tbin
928 1279 NIH Molecular Libraries Screening Centers Network [MLSCN] NIH Chemical Genomics Center [NCGC] MLSCN Grant: None NCGC Assay Overview: The TNF alpha/NFkB signaling pathway was assayed in NFkB-bla cells (Invitrogen), a ME-180 cervical carcinoma line containing a stably integrated beta-lactamase reporter gene controlled by a NFkB response element. This reporter is induced by TNF alpha at 10 pM EC50 and inhibited by the proteosome inhibitor MG-132 at approximately 100 nM IC50. The assay was screene... aid928.table aid928.tbin
929 58 NIH Molecular Libraries Screening Centers Network [MLSCN] NIH Chemical Genomics Center [NCGC] MLSCN Grant: 1 X01 MH078950-01 PI Name: Dr. James Wells, Dr. Enrique Perez-Paya, Dr.Janice Williams, Dr. Dennis Wolan, Mr. Brandon Butler NCGC Assay Overview: The caspases (Cysteine Aspartyl Protease) comprise a related family of 14 dimeric proteases that are critical mediators of apoptosis (programmed cell death) and inflammation. The caspases represent an important class of drug targets for stroke,... aid929.table aid929.tbin
930 2385 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] MLSCN Grant: 1 X01 MH080684-01 PI Name: Dr. Ryszard Kole NCGC Assay Overview: Modulation of Alternative Splicing as Therapy Abnormal splicing is associated with a number of diseases, including cancer and genetic diseases such as cystic fibrosis, muscular dystrophy and beta-thalassemia. Alteration of disease associated splicing patterns provides a promising target for treatment. Work in the Kole labor... aid930.table aid930.tbin
931 22 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] MLSCN Grant: 1 X01 MH080684-01 PI Name: Dr. Ryszard Kole NCGC Assay Overview: Modulation of Alternative Splicing as Therapy Abnormal splicing is associated with a number of diseases, including cancer and genetic diseases such as cystic fibrosis, muscular dystrophy and beta-thalassemia. Alteration of disease associated splicing patterns provides a promising target for treatment. Work in the Kole labor... aid931.table aid931.tbin
932 196012 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: David Frank Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1 X01 MH079826-01 Grant Proposal PI: David Frank External Assay ID: STAT1_POT_LUMI_1536_%ACT Name: Primary cell-based high throughput screening assay to measure STAT1 activation. Description: The signal transducer and activator of transcripti... aid932.table aid932.tbin
933 367 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] MLSCN Grant: 1 X01 MH080680-01 PI Name: Dr. Marvin Gershengorn, NIH NCGC Assay Overview: Confirmation of Thyroid Stimulating Hormone Receptor Agonists TSH is an alpha/beta heterodimeric glycoprotein hormone secreted from the anterior pituitary gland which belongs to the glycoprotein hormone family. The actions of TSH are mediated by a seven-transmembrane receptor, which upon TSH binding couples prefe... aid933.table aid933.tbin
934 120 NIH Molecular Libraries Screening Centers Network [MLSCN] NIH Chemical Genomics Center [NCGC] MLSCN Grant: None NCGC Assay Overview: This assay is a counter screen for the Stat signaling pathway assay (PubChem AID 446). The Stat assay is cell-based and measures Interleukin 6 (IL-6) mediated modulation of a beta-lactamase reporter gene controlled by a STAT inducible element (SIE-bla cells, Invitrogen). IL-6 is a cytokine that signals via the JAK/STAT pathway and is implicated in cancer and infl... aid934.table aid934.tbin
935 120 NIH Molecular Libraries Screening Centers Network [MLSCN] NIH Chemical Genomics Center [NCGC] MLSCN Grant: None NCGC Assay Overview: This assay is a retest of actives identified from the Stat signaling pathway assay (PubChem AID 446). The Stat assay is cell-based and measures Interleukin 6 (IL-6) mediated modulation of a beta-lactamase reporter gene controlled by a STAT inducible element (SIE-bla cells, Invitrogen). IL-6 is a cytokine that signals via the JAK/STAT pathway and is implicated in ... aid935.table aid935.tbin
936 119 List of compounds to be tested: Compounds that met the active criterion of Z-score is </= -3 in the in vitro PLK1-PBD binding primary screen AID 693, will be tested in 10-point concentration response assays in the presence of 1.0 mM DTT. The PLK-1-PBD hit characterization compound concentration dependent redox cycling H2O2 generation assay in the presence of 1.0 mM DTT, has been developed to evaluate actives that were identified in the in vitro PLK1-PBD binding primary screen AID 693, conducte... aid936.table aid936.tbin
937 58 NIH Molecular Libraries Screening Centers Network [MLSCN] NIH Chemical Genomics Center [NCGC] MLSCN Grant: 1 X01 MH079825-01 Assay Provider: Jeffrey A. Kuret, Ohio State University NCGC Assay Overview: Lewy body disease is characterized by the appearance of lesions containing alpha-synuclein. The protein components in these lesions can be induced to form filaments under experimentally tractable times when incubated in vitro with anionic inducers such as alkyl sulfate detergents or fatty acids.... aid937.table aid937.tbin
938 73162 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] MLSCN Grant: 1 X01 MH080680-01 PI Name: Dr. Marvin Gershengorn NCGC Assay Overview: This cell based assay utilized a cyclic nucleotide gated ion channel (CNG) as a biosensor for cAMP induction. HEK 293 cells stably expressing the modified CNG were purchased from BD biosciences (http://www.atto.com/products/actone/features_benefits.shtml) . Stimulation of cAMP production causes the CNG to open and subse... aid938.table aid938.tbin
939 151 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] MLSCN Grant: 1 X01 MH080680-01 PI Name: Dr. Marvin Gershengorn, NIH NCGC Assay Overview: Thyroid Stimulating Hormone Receptor TSH is an alpha/beta heterodimeric glycoprotein hormone secreted from the anterior pituitary gland which belongs to the glycoprotein hormone family. The actions of TSH are mediated by a seven-transmembrane receptor, which upon TSH binding couples preferentially to the G-alpha ... aid939.table aid939.tbin
940 262043 NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Raymond Dingledine, Emory University MLSCN Grant: 5-U01NS058158-02 Assay Overview: Injury of the brain is a major cause of death and morbidity after the prolonged seizures termed status epilepticus (SE). Studies in rodents have demonstrated that cyclooxygenase 2 (COX2) activation by ischemia and SE generally contributes to neuronal injury, but multiple downstream COX2 si... aid940.table aid940.tbin
941 349 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Peter Tobias, TSRI Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1 X01 MH079857-01 Grant Proposal PI: Peter Tobias External Assay ID: TRL4-MyD88_INH_BLA_1536_3X%INH Name: Confirmatory cell-based high-throughput screening assay for inhibitors of TLR4-MyD88 binding Description: In atherosclerosis, kidn... aid941.table aid941.tbin
942 35 NIH Molecular Libraries Screening Centers Network [MLSCN] NIH Chemical Genomics Center [NCGC] MLSCN Grant: 1 X01 MH082337-01 PI Name: Dr. Thomas Bugge NCGC Assay Overview: Lethal factor (LF, 83 kDa), edema factor (98 kDa) and protective antigen (PA, 83 kDa) are lethal toxins produced by bacillus anthracis, a Gram-positive and spore-forming bacterium responsible for anthrax. While LF and EF contribute the cytotoxic activity of anthrax bacteria, PA is required for internalization of LF an EF. ... aid942.table aid942.tbin
943 1279 NIH Molecular Libraries Screening Centers Network [MLSCN] NIH Chemical Genomics Center [NCGC] MLSCN Grant: None NCGC Assay Overview: Acetylcholine muscarinic M1 receptor is a G-protein coupled receptor (GPCR) coupling to the Gq G protein. It is mainly expressed in brain and functionally related to the learning and memory processes. The agonists of this receptor have the potential for the treatment of Alzheimer's disease and cognitive impairments associated with Schizophrenia. Upon an activatio... aid943.table aid943.tbin
944 1279 NIH Molecular Libraries Screening Centers Network [MLSCN] NIH Chemical Genomics Center [NCGC] MLSCN Grant: None NCGC Assay Overview: Acetylcholine muscarinic M1 receptor is a G-protein coupled receptor (GPCR) coupling to the Gq G protein. It is mainly expressed in brain and functionally related to the learning and memory processes. The agonists of this receptor have the potential for the treatment of Alzheimer's disease and cognitive impairments associated with Schizophrenia. Upon an activat... aid944.table aid944.tbin
945 1279 NIH Molecular Libraries Screening Centers Network [MLSCN] NIH Chemical Genomics Center [NCGC] MLSCN Grant: None PI names: Malcom Walkinshaw, Hugh Morgan and Linda Gilmore University of Edinburgh, Edinburgh, UK Assay Overview: Species of Leishmania are responsible for a wide spectrum of diseases throughout the tropics and subtropics, ranging from self-healing ulcers to highly disfiguring lesions and serious, often lethal visceral diseases, such as kala-azar. In Leishmania spp. it has been shown... aid945.table aid945.tbin
946 1408 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] National Institutes of Environmental Health Sciences [NIEHS] National Toxicology Program [NTP] MLSCN Grant: None NCGC Assay Overview: We have developed a 1536-well cell-based assay for quantitative high throughput screening (qHTS) against a number of cell lines to determine in vitro cytotoxicity of small molecules. This particular assay uses a human lymphoblastoid cell line (LYMP1-001) purchased from ... aid946.table aid946.tbin
947 1408 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] National Institutes of Environmental Health Sciences [NIEHS] National Toxicology Program [NTP] MLSCN Grant: None NCGC Assay Overview: We have developed a 1536-well cell-based assay for quantitative high throughput screening (qHTS) against a number of cell lines to determine in vitro cytotoxicity of small molecules. This particular assay uses a human lymphoblastoid cell line (LYMP1-001) purchased from ... aid947.table aid947.tbin
948 1408 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] National Institutes of Environmental Health Sciences [NIEHS] National Toxicology Program [NTP] MLSCN Grant: None NCGC Assay Overview: We have developed a 1536-well cell-based assay for quantitative high throughput screening (qHTS) against a number of cell lines to determine in vitro cytotoxicity of small molecules. This particular assay uses a human lymphoblastoid cell line (LYMP1-002) purchased from ... aid948.table aid948.tbin
949 443 NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Paul De Figueiredo, Texas A&M University System MLSCN Grant: 1 X01 MH079865-01 Assay Overview: Shwachman-Diamond Syndrome (SDS) is an autosomal recessive genetic syndrome that results in hematopoietic defects as well as impaired pancreatic function and skeletal development (1, 2). Presently, therapeutic options are limited to supportive care or bone marrow transplant, ... aid949.table aid949.tbin
950 194920 University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein interactions PI: Larry Sklar, Ph.D. Assay Implementatiion: Peter Simons Ph.D, Susan Young MS, Anna Waller Ph.D, Mark Carter MS Assay Background and Significance: One arm of apoptosis is regulated by the balance of anti-apoptotic and pro-apoptotic Bcl-2 family members. In humans, six genes have been identified that encode anti-apoptotic proteins cha... aid950.table aid950.tbin
951 194920 University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein interactions PI: Larry Sklar, Ph.D. Assay Implementatiion: Peter Simons Ph.D, Susan Young MS, Anna Waller Ph.D, Mark Carter MS Assay Background and Significance: One arm of apoptosis is regulated by the balance of anti-apoptotic and pro-apoptotic Bcl-2 family members. In humans, six genes have been identified that encode anti-apoptotic proteins ch... aid951.table aid951.tbin
952 194920 University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein interactions PI: Larry Sklar, Ph.D. Assay Implementatiion: Peter Simons Ph.D, Susan Young MS, Anna Waller Ph.D, Mark Carter MS Assay Background and Significance: One arm of apoptosis is regulated by the balance of anti-apoptotic and pro-apoptotic Bcl-2 family members. In humans, six genes have been identified that encode anti-apoptotic proteins ch... aid952.table aid952.tbin
953 151 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] MLSCN Grant: 1 X01 MH080680-01 PI Name: Dr. Marvin Gershengorn NCGC Assay Overview: This cell based assay utilized a cyclic nucleotide gated ion channel (CNG) as a biosensor for cAMP induction. HEK 293 cells stably expressing the modified CNG were purchased from BD biosciences (http://www.atto.com/products/actone/features_benefits.shtml) . Stimulation of cAMP production causes the CNG to open and subse... aid953.table aid953.tbin
954 1279 NIH Molecular Libraries Screening Centers Network [MLSCN] NIH Chemical Genomics Center [NCGC] MLSCN Grant: None Wael M. Rabeh, Lyudmila Nedyalkova and Hee-Wan Park [Structural Genomics Consortium, 100 College St. Toronto, Ontario, Canada] NCGC Assay Overview: Human pyruvate kinase muscle 2 enzyme was supplied as a highly purified (>95% pure) preparation by the Structural Genomics Consortium in Toronto (Ontario, Canada) and was assayed for its ability to generate ATP from ADP using phosphoenol... aid954.table aid954.tbin
955 1408 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] National Institutes of Environmental Health Sciences [NIEHS] National Toxicology Program [NTP] MLSCN Grant: None NCGC Assay Overview: We have developed a 1536-well cell-based assay for quantitative high throughput screening (qHTS) against a number of cell lines to determine in vitro cytotoxicity of small molecules. This particular assay uses a human lymphoblastoid cell line (LYMP1-002) purchased from ... aid955.table aid955.tbin
956 58 NIH Molecular Libraries Screening Centers Network [MLSCN] NIH Chemical Genomics Center [NCGC] MLSCN Grant: 1 X01 MH079825-01 Assay Provider: Jeffrey A. Kuret, Ohio State University NCGC Assay Overview: Alzheimer disease is characterized by the accumulation of proteinacious aggregates comprised of tau and beta-amyloid. The protein components of each lesion can be induced to form filaments under experimentally tractable times when incubated in vitro with anionic inducers such as alkyl sulfate d... aid956.table aid956.tbin
957 1279 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] MLSCN Grant: 1 X01MH78932-01 PI Name: Zheng, Wei [NIH] NCGC Assay Overview: Alpha-galactosidase is a homodimeric glycoprotein that hydrolyzes the terminal alpha-galactosyl moieties from glycolipids and glycoproteins. Deficiency of this enzyme results in Fabry Disease with progressive accumulation of globotriaosylceramide and other glycosphingolipids in vascular endothelial cells that causes renal fail... aid957.table aid957.tbin
958 1279 NIH Molecular Libraries Screening Centers Network [MLSCN] NIH Chemical Genomics Center [NCGC] MLSCN Grant: None Wael M. Rabeh, Lyudmila Nedyalkova and Hee-Wan Park [Structural Genomics Consortium, 100 College St. Toronto, Ontario, Canada] NCGC Assay Overview: Human pyruvate kinase muscle 2 enzyme was supplied as a highly purified (>95% pure) preparation by the Structural Genomics Consortium in Toronto (Ontario, Canada) and was assayed for its ability to generate ATP from ADP using phosphoenol... aid958.table aid958.tbin
959 1279 NIH Molecular Libraries Screening Centers Network [MLSCN] NIH Chemical Genomics Center [NCGC] MLSCN Grant: None PI names: Malcom Walkinshaw, Hugh Morgan and Linda Gilmore University of Edinburgh, Edinburgh, UK Assay Overview: Species of Leishmania are responsible for a wide spectrum of diseases throughout the tropics and subtropics, ranging from self-healing ulcers to highly disfiguring lesions and serious, often lethal visceral diseases, such as kala-azar. In Leishmania spp. it has been shown... aid959.table aid959.tbin
960 1408 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] National Institutes of Environmental Health Sciences [NIEHS] National Toxicology Program [NTP] MLSCN Grant: None NCGC Assay Overview: We have developed a 1536-well cell-based assay for quantitative high throughput screening (qHTS) against a number of cell lines to determine in vitro cytotoxicity of small molecules. This particular assay uses a human lymphoblastoid cell line (LYMP1-002) purchased from ... aid960.table aid960.tbin
961 1408 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] National Institutes of Environmental Health Sciences [NIEHS] National Toxicology Program [NTP] MLSCN Grant: None NCGC Assay Overview: We have developed a 1536-well cell-based assay for quantitative high throughput screening (qHTS) against a number of cell lines to determine in vitro cytotoxicity of small molecules. This particular assay uses a human lymphoblastoid cell line (LYMP1-003) purchased from ... aid961.table aid961.tbin
962 1408 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] National Institutes of Environmental Health Sciences [NIEHS] National Toxicology Program [NTP] MLSCN Grant: None NCGC Assay Overview: We have developed a 1536-well cell-based assay for quantitative high throughput screening (qHTS) against a number of cell lines to determine in vitro cytotoxicity of small molecules. This particular assay uses a human lymphoblastoid cell line (LYMP1-003) purchased from ... aid962.table aid962.tbin
963 1408 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] National Institutes of Environmental Health Sciences [NIEHS] National Toxicology Program [NTP] MLSCN Grant: None NCGC Assay Overview: We have developed a 1536-well cell-based assay for quantitative high throughput screening (qHTS) against a number of cell lines to determine in vitro cytotoxicity of small molecules. This particular assay uses a human lymphoblastoid cell line (LYMP1-003) purchased from ... aid963.table aid963.tbin
964 1408 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] National Institutes of Environmental Health Sciences [NIEHS] National Toxicology Program [NTP] MLSCN Grant: None NCGC Assay Overview: We have developed a 1536-well cell-based assay for quantitative high throughput screening (qHTS) against a number of cell lines to determine in vitro cytotoxicity of small molecules. This particular assay uses a human lymphoblastoid cell line (LYMP1-003) purchased from ... aid964.table aid964.tbin
965 1408 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] National Institutes of Environmental Health Sciences [NIEHS] National Toxicology Program [NTP] MLSCN Grant: None NCGC Assay Overview: We have developed a 1536-well cell-based assay for quantitative high throughput screening (qHTS) against a number of cell lines to determine in vitro cytotoxicity of small molecules. This particular assay uses a human lymphoblastoid cell line (LYMP2-003) purchased from ... aid965.table aid965.tbin
966 1408 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] National Institutes of Environmental Health Sciences [NIEHS] National Toxicology Program [NTP] MLSCN Grant: None NCGC Assay Overview: We have developed a 1536-well cell-based assay for quantitative high throughput screening (qHTS) against a number of cell lines to determine in vitro cytotoxicity of small molecules. This particular assay uses a human lymphoblastoid cell line (LYMP2-004) purchased from ... aid966.table aid966.tbin
967 1408 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] National Institutes of Environmental Health Sciences [NIEHS] National Toxicology Program [NTP] MLSCN Grant: None NCGC Assay Overview: We have developed a 1536-well cell-based assay for quantitative high throughput screening (qHTS) against a number of cell lines to determine in vitro cytotoxicity of small molecules. This particular assay uses a human lymphoblastoid cell line (LYMP2-005) purchased from ... aid967.table aid967.tbin
968 1408 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] National Institutes of Environmental Health Sciences [NIEHS] National Toxicology Program [NTP] MLSCN Grant: None NCGC Assay Overview: We have developed a 1536-well cell-based assay for quantitative high throughput screening (qHTS) against a number of cell lines to determine in vitro cytotoxicity of small molecules. This particular assay uses a human lymphoblastoid cell line (LYMP2-009) purchased from ... aid968.table aid968.tbin
969 1408 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] National Institutes of Environmental Health Sciences [NIEHS] National Toxicology Program [NTP] MLSCN Grant: None NCGC Assay Overview: We have developed a 1536-well cell-based assay for quantitative high throughput screening (qHTS) against a number of cell lines to determine in vitro cytotoxicity of small molecules. This particular assay uses a human lymphoblastoid cell line (LYMP2-011) purchased from ... aid969.table aid969.tbin
970 1408 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] National Institutes of Environmental Health Sciences [NIEHS] National Toxicology Program [NTP] MLSCN Grant: None NCGC Assay Overview: We have developed a 1536-well cell-based assay for quantitative high throughput screening (qHTS) against a number of cell lines to determine in vitro cytotoxicity of small molecules. This particular assay uses a human lymphoblastoid cell line (LYMP2-013) purchased from ... aid970.table aid970.tbin
971 1408 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] National Institutes of Environmental Health Sciences [NIEHS] National Toxicology Program [NTP] MLSCN Grant: None NCGC Assay Overview: We have developed a 1536-well cell-based assay for quantitative high throughput screening (qHTS) against a number of cell lines to determine in vitro cytotoxicity of small molecules. This particular assay uses a human lymphoblastoid cell line (LYMP2-015) purchased from ... aid971.table aid971.tbin
972 1408 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] National Institutes of Environmental Health Sciences [NIEHS] National Toxicology Program [NTP] MLSCN Grant: None NCGC Assay Overview: We have developed a 1536-well cell-based assay for quantitative high throughput screening (qHTS) against a number of cell lines to determine in vitro cytotoxicity of small molecules. This particular assay uses a human lymphoblastoid cell line (LYMP2-017) purchased from ... aid972.table aid972.tbin
973 1408 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] National Institutes of Environmental Health Sciences [NIEHS] National Toxicology Program [NTP] MLSCN Grant: None NCGC Assay Overview: We have developed a 1536-well cell-based assay for quantitative high throughput screening (qHTS) against a number of cell lines to determine in vitro cytotoxicity of small molecules. This particular assay uses a human lymphoblastoid cell line (LYMP2-019) purchased from ... aid973.table aid973.tbin
974 1408 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] National Institutes of Environmental Health Sciences [NIEHS] National Toxicology Program [NTP] MLSCN Grant: None NCGC Assay Overview: We have developed a 1536-well cell-based assay for quantitative high throughput screening (qHTS) against a number of cell lines to determine in vitro cytotoxicity of small molecules. This particular assay uses a human lymphoblastoid cell line (LYMP2-021) purchased from ... aid974.table aid974.tbin
975 1408 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] National Institutes of Environmental Health Sciences [NIEHS] National Toxicology Program [NTP] MLSCN Grant: None NCGC Assay Overview: We have developed a 1536-well cell-based assay for quantitative high throughput screening (qHTS) against a number of cell lines to determine in vitro cytotoxicity of small molecules. This particular assay uses a human lymphoblastoid cell line (LYMP2-023) purchased from ... aid975.table aid975.tbin
976 1408 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] National Institutes of Environmental Health Sciences [NIEHS] National Toxicology Program [NTP] MLSCN Grant: None NCGC Assay Overview: We have developed a 1536-well cell-based assay for quantitative high throughput screening (qHTS) against a number of cell lines to determine in vitro cytotoxicity of small molecules. This particular assay uses a human lymphoblastoid cell line (LYMP2-025) purchased from ... aid976.table aid976.tbin
977 1408 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] National Institutes of Environmental Health Sciences [NIEHS] National Toxicology Program [NTP] MLSCN Grant: None NCGC Assay Overview: We have developed a 1536-well cell-based assay for quantitative high throughput screening (qHTS) against a number of cell lines to determine in vitro cytotoxicity of small molecules. This particular assay uses a human lymphoblastoid cell line (LYMP2-002) purchased from ... aid977.table aid977.tbin
978 1408 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] National Institutes of Environmental Health Sciences [NIEHS] National Toxicology Program [NTP] MLSCN Grant: None NCGC Assay Overview: We have developed a 1536-well cell-based assay for quantitative high throughput screening (qHTS) against a number of cell lines to determine in vitro cytotoxicity of small molecules. This particular assay uses a human lymphoblastoid cell line (LYMP2-006) purchased from ... aid978.table aid978.tbin
979 1408 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] National Institutes of Environmental Health Sciences [NIEHS] National Toxicology Program [NTP] MLSCN Grant: None NCGC Assay Overview: We have developed a 1536-well cell-based assay for quantitative high throughput screening (qHTS) against a number of cell lines to determine in vitro cytotoxicity of small molecules. This particular assay uses a human lymphoblastoid cell line (LYMP2-007) purchased from ... aid979.table aid979.tbin
980 1408 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] National Institutes of Environmental Health Sciences [NIEHS] National Toxicology Program [NTP] MLSCN Grant: None NCGC Assay Overview: We have developed a 1536-well cell-based assay for quantitative high throughput screening (qHTS) against a number of cell lines to determine in vitro cytotoxicity of small molecules. This particular assay uses a human lymphoblastoid cell line (LYMP2-008) purchased from ... aid980.table aid980.tbin
981 1408 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] National Institutes of Environmental Health Sciences [NIEHS] National Toxicology Program [NTP] MLSCN Grant: None NCGC Assay Overview: We have developed a 1536-well cell-based assay for quantitative high throughput screening (qHTS) against a number of cell lines to determine in vitro cytotoxicity of small molecules. This particular assay uses a human lymphoblastoid cell line (LYMP2-010) purchased from ... aid981.table aid981.tbin
982 1408 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] National Institutes of Environmental Health Sciences [NIEHS] National Toxicology Program [NTP] MLSCN Grant: None NCGC Assay Overview: We have developed a 1536-well cell-based assay for quantitative high throughput screening (qHTS) against a number of cell lines to determine in vitro cytotoxicity of small molecules. This particular assay uses a human lymphoblastoid cell line (LYMP2-012) purchased from ... aid982.table aid982.tbin
983 1408 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] National Institutes of Environmental Health Sciences [NIEHS] National Toxicology Program [NTP] MLSCN Grant: None NCGC Assay Overview: We have developed a 1536-well cell-based assay for quantitative high throughput screening (qHTS) against a number of cell lines to determine in vitro cytotoxicity of small molecules. This particular assay uses a human lymphoblastoid cell line (LYMP2-014) purchased from ... aid983.table aid983.tbin
984 1408 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] National Institutes of Environmental Health Sciences [NIEHS] National Toxicology Program [NTP] MLSCN Grant: None NCGC Assay Overview: We have developed a 1536-well cell-based assay for quantitative high throughput screening (qHTS) against a number of cell lines to determine in vitro cytotoxicity of small molecules. This particular assay uses a human lymphoblastoid cell line (LYMP2-016) purchased from ... aid984.table aid984.tbin
985 1408 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] National Institutes of Environmental Health Sciences [NIEHS] National Toxicology Program [NTP] MLSCN Grant: None NCGC Assay Overview: We have developed a 1536-well cell-based assay for quantitative high throughput screening (qHTS) against a number of cell lines to determine in vitro cytotoxicity of small molecules. This particular assay uses a human lymphoblastoid cell line (LYMP2-018) purchased from ... aid985.table aid985.tbin
986 1408 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] National Institutes of Environmental Health Sciences [NIEHS] National Toxicology Program [NTP] MLSCN Grant: None NCGC Assay Overview: We have developed a 1536-well cell-based assay for quantitative high throughput screening (qHTS) against a number of cell lines to determine in vitro cytotoxicity of small molecules. This particular assay uses a human lymphoblastoid cell line (LYMP2-020) purchased from ... aid986.table aid986.tbin
987 1408 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] National Institutes of Environmental Health Sciences [NIEHS] National Toxicology Program [NTP] MLSCN Grant: None NCGC Assay Overview: We have developed a 1536-well cell-based assay for quantitative high throughput screening (qHTS) against a number of cell lines to determine in vitro cytotoxicity of small molecules. This particular assay uses a human lymphoblastoid cell line (LYMP2-022) purchased from ... aid987.table aid987.tbin
988 1408 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] National Institutes of Environmental Health Sciences [NIEHS] National Toxicology Program [NTP] MLSCN Grant: None NCGC Assay Overview: We have developed a 1536-well cell-based assay for quantitative high throughput screening (qHTS) against a number of cell lines to determine in vitro cytotoxicity of small molecules. This particular assay uses a human lymphoblastoid cell line (LYMP2-024) purchased from ... aid988.table aid988.tbin
989 1408 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] National Institutes of Environmental Health Sciences [NIEHS] National Toxicology Program [NTP] MLSCN Grant: None NCGC Assay Overview: We have developed a 1536-well cell-based assay for quantitative high throughput screening (qHTS) against a number of cell lines to determine in vitro cytotoxicity of small molecules. This particular assay uses a human lymphoblastoid cell line (LYMP2-026) purchased from ... aid989.table aid989.tbin
990 51 NIH Molecular Libraries Screening Centers Network [MLSCN] NIH Chemical Genomics Center [NCGC] MLSCN Grant: 1 X01 MH079860-01 Assay Provider: Elisabeth D. Martinez, University of Texas SW Medical Center NCGC Assay Overview: This assay is a counter screen for the Locus Derepression (LDR) assay (PubChem AID 597). The LDR assay detects the derepression of a GFP reporter that is stably integrated in a region of the genome of murine c127i mammary cells that is presumably silenced. Compounds that cau... aid990.table aid990.tbin
991 6 NIH Molecular Libraries Screening Centers Network [MLSCN] NIH Chemical Genomics Center [NCGC] MLSCN Grant: 1 X01 MH079825-01 Assay Provider: Jeffrey A. Kuret, Ohio State University NCGC Assay Overview: A number of solution-based assays are available for quantifying the amount of aggregated protein, such as fluorescence spectroscopy, sedimentation, and static and laser light scattering. However, none of these methods allows direct visualization of filaments. Transmission electron microscopy (T... aid991.table aid991.tbin
992 1284 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] MLSCN Grant: 1 X01MH78932-01 PI Name: Zheng, Wei [NIH] NCGC Assay Overview: Alpha-galactosidase is a homodimeric glycoprotein that hydrolyzes the terminal alpha-galactosyl moieties from glycolipids and glycoproteins. Deficiency of this enzyme results in Fabry Disease with progressive accumulation of globotriaosylceramide and other glycosphingolipids in vascular endothelial cells that causes renal fail... aid992.table aid992.tbin
993 1408 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] National Institutes of Environmental Health Sciences [NIEHS] National Toxicology Program [NTP] MLSCN Grant: None NCGC Assay Overview: We have developed a 1536-well cell-based assay for quantitative high throughput screening (qHTS) against a number of cell lines to determine in vitro cytotoxicity of small molecules. This particular assay uses a human lymphoblastoid cell line (LYMP1-002) purchased from ... aid993.table aid993.tbin
994 1408 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] National Institutes of Environmental Health Sciences [NIEHS] National Toxicology Program [NTP] MLSCN Grant: None NCGC Assay Overview: We have developed a 1536-well cell-based assay for quantitative high throughput screening (qHTS) against a number of cell lines to determine in vitro cytotoxicity of small molecules. This particular assay uses a human lymphoblastoid cell line (LYMP1-002) purchased from ... aid994.table aid994.tbin
995 72004 qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] MLSCN Grant: 1X01MH082406-01 Assay Submitter (PI): Dr. Wei Zheng, NCGC/NIH NCGC Assay Overview: The Ras/extracellular-signal-regulated kinase (ERK) mitogen activated protein (MAP) kinase signaling pathway (ERK1/2 cascade) plays is a key role in transmitting signals from the cell surface to the nucleus (Nis... aid995.table aid995.tbin
996 58 NIH Molecular Libraries Screening Centers Network [MLSCN] NIH Chemical Genomics Center [NCGC] MLSCN Grant: 1 X01 MH078950-01 PI Name: Dr. James Wells, Dr. Enrique Perez-Paya, Dr.Janice Williams, Dr. Dennis Wolan, Mr. Brandon Butler NCGC Assay Overview: The caspases (Cysteine Aspartyl Protease) comprise a related family of 14 dimeric proteases that are critical mediators of apoptosis (programmed cell death) and inflammation. The caspases represent an important class of drug targets for stroke,... aid996.table aid996.tbin
997 1284 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] MLSCN Grant: 1 X01MH78932-01 PI Name: Zheng, Wei [NIH] NCGC Assay Overview: Alpha-glucosidase is responsible for hydrolysis of terminal, non-reducing 1,4-linked alpha-D-glucose residues with release of alpha-D-glucose. It is a lysosomal hydrolase that is required for the degradation of a small percentage (1-3%) of cellular glycogen in human. Deficiency of this enzyme results in glycogen-storage diseas... aid997.table aid997.tbin
998 1279 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] MLSCN Grant: 1 X01MH78932-01 PI Name: Zheng, Wei [NIH] NCGC Assay Overview: Alpha-galactosidase is a homodimeric glycoprotein that hydrolyzes the terminal alpha-galactosyl moieties from glycolipids and glycoproteins. Deficiency of this enzyme results in Fabry Disease with progressive accumulation of globotriaosylceramide and other glycosphingolipids in vascular endothelial cells that causes renal fail... aid998.table aid998.tbin
999 156 Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening Centers Network (MLSCN) Submitted by Dr. Todd Waldman (Lombardi Cancer Center, Georgetown University School of Medicine) Award: 1R03NS050857-01 Numerous genes have been identified which participate, either through activation (oncogenes) or inactivation (tumor suppressors), in the multifactorial process of carcinogenesis (Vogelstein B and Kinzler KW, ... aid999.table aid999.tbin
1000 57 Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening Centers Network (MLSCN) Assay Provider: Dr. Thomas S. Leyh, Albert Einstein College of medicine of Yeshiva University Award: R03 MH078936-01 Streptococcus pneumonia (SP) takes the lives of nearly 4,000 people daily and antibiotic resistant strains are becoming an increasing problem. Because of this, the discovery of drugs targeting novel pathways... aid1000.table aid1000.tbin
1001 195632 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Proposal Number: 1R03 MH082385-01 Alkaline phosphatases (EC 3.1.3.1) (APs) catalyze the hydrolysis of phosphomonoesters, releasing phosphate and alcohol. APs are dimeric enzymes found in the most organisms. In human, four isozymes of APs have been identified. Three isozymes ... aid1001.table aid1001.tbin
1002 9 NIH Molecular Libraries Screening Centers Network [MLSCN] NIH Chemical Genomics Center [NCGC] MLSCN Grant: MH079825-01 Assay Provider: Shoichet, Brian K. This aggregation profiling approach exploits the sensitivity of aggregate formation to detergent. Inhibition of b-lactamase is measured in the presence and absence of 0.01% Triton X-100 (Feng 2007). This particular assay is a confirmation of previous qHTS (Inglese, 2006), Pubchem AID 584, assay with presence of 0.01% Triton X-100. For a relate... aid1002.table aid1002.tbin
1003 8 NIH Molecular Libraries Screening Centers Network [MLSCN] NIH Chemical Genomics Center [NCGC] MLSCN Grant: MH079825-01 Assay Provider: Shoichet, Brian K. This aggregation profiling approach exploits the sensitivity of aggregate formation to detergent. Inhibition of b-lactamase is measured in the presence and absence of 0.01% Triton X-100 (Feng 2007). This particular assay is a confirmation of previous qHTS (Inglese, 2006), Pubchem AID 584, assay with presence of 0.01% Triton X-100. For a relate... aid1003.table aid1003.tbin
1004 156 Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening Centers Network (MLSCN) Submitted by Dr. Todd Waldman (Lombardi Cancer Center, Georgetown University School of Medicine) Award: R03-NS053741 Numerous genes have been identified which participate, either through activation (oncogenes) or inactivation (tumor suppressors), in the multifactorial process of carcinogenesis (Vogelstein B and Kinzler KW, 200... aid1004.table aid1004.tbin
1006 195634 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: None This functional assay was developed for detection of compounds inhibiting luciferase. These compounds would be observed as false positives of assays employing luciferase-based detection. aid1006.table aid1006.tbin
1007 194920 University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein interactions PI: Larry Sklar, Ph.D. Assay Implementatiion: Peter Simons Ph.D, Susan Young MS, Anna Waller Ph.D, Mark Carter MS Assay Background and Significance: One arm of apoptosis is regulated by the balance of anti-apoptotic and pro-apoptotic Bcl-2 family members. In humans, six genes have been identified that encode anti-apoptotic proteins ch... aid1007.table aid1007.tbin
1008 194920 University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein interactions PI: Larry Sklar, Ph.D. Assay Implementatiion: Peter Simons Ph.D, Susan Young MS, Anna Waller Ph.D, Mark Carter MS Assay Background and Significance: One arm of apoptosis is regulated by the balance of anti-apoptotic and pro-apoptotic Bcl-2 family members. In humans, six genes have been identified that encode anti-apoptotic proteins ch... aid1008.table aid1008.tbin
1009 194920 University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein interactions PI: Larry Sklar, Ph.D. Assay Implementatiion: Peter Simons Ph.D, Susan Young MS, Anna Waller Ph.D, Mark Carter MS Assay Background and Significance: One arm of apoptosis is regulated by the balance of anti-apoptotic and pro-apoptotic Bcl-2 family members. In humans, six genes have been identified that encode anti-apoptotic proteins ch... aid1009.table aid1009.tbin
1010 48000 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: 1R03 DA024887-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute The endoplasmic reticulum (ER) fulfills multiple cellular functions (reviewed in [1-4]). The lumen of the ER contains high concentration of Ca2+ due to the transport of cal... aid1010.table aid1010.tbin
1011 27 NIH Molecular Libraries Screening Centers Network [MLSCN] NIH Chemical Genomics Center [NCGC] MLSCN Grant: MH076449-01 Assay Provider: Prof David Williams, Illinois State University This is a confirmation assay for PubChem BioAssay AID 448. Schistosoma mansoni, a causative agent of schistosomiasis, resides in the bloodstream of their host up to 30 years without being eliminated by the host immune attack. One proposed survival mechanism is the production of an antioxidant "firewall" that neutral... aid1011.table aid1011.tbin
1012 195634 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Proposal Number: MH077602-01 Alkaline phosphatase (EC 3.1.3.1) (APs) catalyze the hydrolysis of phosphomonoesters, releasing phosphate and alcohol. APs are dimeric enzymes found in the most organism. In human, four isozymes of APs have been identified. Three isozymes are tis... aid1012.table aid1012.tbin
1013 493 Data Source: Columbia University Molecular Screening Center Source (MLSCN Center Name): Columbia University Molecular Screening Center Center Affiliation: Columbia University Molecular Screening Center Assay Provider: Thomas Mayer, Columbia University Molecular Screening Center Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1R03 MH076343-01 Cytokines such as TNF alpha and IL-1B activate a pro-inflammatory response in endothelial cells by nuclear translocation... aid1013.table aid1013.tbin
1014 240 Principal Investigator: Hattie D. Gresham, Ph.D. Grant: NIH 1X01MH078952-01 Screening Center: New Mexico Molecular Libraries Screening Center Assay Background and Significance Quorum sensing is a cell-to-cell communication system that permits members of a bacterial population to coordinate their behavior dependent on cell density (for review see Waters and Bassler, 2005). The mediators of this communication system are small, diffusible pheromones or autoinducers that are secreted by the bacte... aid1014.table aid1014.tbin
1015 32 Principal Investigator: Hattie D. Gresham, Ph.D. Grant: NIH 1X01MH078952-01 Screening Center: New Mexico Molecular Libraries Screening Center Assay Background and Significance Quorum sensing is a cell-to-cell communication system that permits members of a bacterial population to coordinate their behavior dependent on cell density (for review see Waters and Bassler, 2005). The mediators of this communication system are small, diffusible pheromones or autoinducers that are secreted by the bacte... aid1015.table aid1015.tbin
1016 195645 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Proposal Number: MH082385-01 Alkaline phosphatase (EC 3.1.3.1) (APs) catalyze the hydrolysis of phosphomonoesters, releasing inorganic phosphate and alcohol. APs are dimeric enzymes found in most organisms. In human, four isozymes of APs have been identified. One isozyme is ... aid1016.table aid1016.tbin
1017 67 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Proposal Number: XO1 MH077602-01 Alkaline phosphatase (EC 3.1.3.1) (APs) catalyze the hydrolysis of phosphomonoesters, releasing inorganic phosphate and alcohol. APs are dimeric enzymes found in most organisms. In human, four isozymes of APs have been identified. One isozym... aid1017.table aid1017.tbin
1018 195645 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Proposal Number: MH081277-01 Assay Provider: John C. Reed, Sanford-Burnham Medical Research Institute, San Diego, CA Apoptosis plays an essential role in many aspects of normal development and physiology, becoming dysregulated in myriad diseases characterized by insufficient... aid1018.table aid1018.tbin
1019 194182 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Proposal Number: MH077602-01 Alkaline phosphatase (EC 3.1.3.1) (APs) catalyze the hydrolysis of phosphomonoesters, releasing inorganic phosphate and alcohol. APs are dimeric enzymes found in most organisms. In human, four isozymes of APs have been identified. One isozyme is... aid1019.table aid1019.tbin
1020 195634 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) This functional assay was developed for detection of compounds inhibiting glucose-6-phosphate dehydrogenase (G6PDH) from Leuconostoc mesenteroides. These compounds would be observed as false positives of assays employing G6PDH, e.g. cytochrome P450 enzyme assays where G6PDH is uti... aid1020.table aid1020.tbin
1021 218788 NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, University of Michigan MLSCN Grant: R21NS057014 The Bcl-2 protein family includes anti-apoptotic proteins such as Bcl-2, Bcl-xL and Mcl-1 and pro-apoptotic proteins such as Bak, Bax, Bim, Bid and Bad. All members of the Bcl-2 protein family contain at least one conserved Bcl-2 homology (BH) domain. These domains have been demonstrated to be involved in th... aid1021.table aid1021.tbin
1022 217515 NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, University of Michigan MLSCN Grant: R21NS057014 The Bcl-2 protein family includes anti-apoptotic proteins such as Bcl-2, Bcl-xL and Mcl-1 and pro-apoptotic proteins such as Bak, Bax, Bim, Bid and Bad. All members of the Bcl-2 protein family contain at least one conserved Bcl-2 homology (BH) domain. These domains have been demonstrated to be involved in th... aid1022.table aid1022.tbin
1023 6 Data Source: Columbia University Molecular Screening Center Source (MLSCN Center Name): Columbia University Molecular Screening Center Center Affiliation: Columbia University Molecular Screening Center Assay Provider: Thomas Mayer, Columbia University Molecular Screening Center Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1R03MH076344-01 Eight compounds were confirmed as hits from the original TNFalpha induced NFkappaB translocation assay (primary AID: 438, ... aid1023.table aid1023.tbin
1024 95868 Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: None The cytochrome P450 enzymes represent a diverse superfamily of hemoproteins present in eukaryotic, bacterial, and archaean systems. The primary function of these enzymes is in the metabolism and clearance of both endogenous and exogenous (xenobiotic) compounds due to their propensity to metabolize mult... aid1024.table aid1024.tbin
1025 95867 Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: None The cytochrome P450 enzymes represent a diverse superfamily of hemoproteins present in eukaryotic, bacterial, and archaean systems. The primary function of these enzymes is in the metabolism and clearance of both endogenous and exogenous (xenobiotic) compounds due to their propensity to metabolize mult... aid1025.table aid1025.tbin
1026 301 Data Source: Columbia University Molecular Screening Center Source (MLSCN Center Name): Columbia University Molecular Screening Center Center Affiliation: Columbia University Molecular Screening Center Assay Provider: Dr. Bruce D. Hammock, UC, Davis, CA. Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: X01 MH078954-01 Hypertension and vascular inflammation are associated with cardiovascular diseases, the primary cause of death in our society. Because a large pro... aid1026.table aid1026.tbin
1027 195634 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: None This functional assay was developed for detection of compounds activating luciferase. These compounds would be observed as false positives of assays with increase-of-signal detection employing luciferase-based reactions. Potentially, the same compounds would act... aid1027.table aid1027.tbin
1028 76 Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening Centers Network (MLSCN) Assay Provider: Dr. Thomas S. Leyh, Albert Einstein College of Medicine of Yeshiva University Award: R03 MH078936-01 Streptococcus pneumoniae takes the lives of nearly 4,000 people daily and antibiotic resistant strains are becoming an increasing problem. Because of this, the discovery of drugs targeting novel pathways ha... aid1028.table aid1028.tbin
1029 109291 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Proposal Number: 1R03 MH076502-01 Assay Provider: Dr. Fabienne Paumet, Columbia University Phagocytic uptake of large particles such as invading pathogens, foreign particles and dead cell bodies represents a key component of the immune system of mammalian organisms. Due to ... aid1029.table aid1029.tbin
1030 220402 Aldehyde dehydrogenase 1 (ALDH1A1) catalyzes the NAD+ dependent oxidation of a variety of endogenous and exogenous aldehydes to the corresponding carboxylic acids. The enzyme is the critical step in the metabolic activation of retinoic acid, which plays essential roles as nuclear receptor ligand. Furthermore, the precursor, retinaldehyde has recently been shown to play a fundamental role in adipogenesis and obesity, which makes inhibitor development a possible target in metabolic diseases. See [1... aid1030.table aid1030.tbin
1031 102 Data Source: Columbia University Molecular Screening Center Source (MLSCN Center Name): Columbia University Molecular Screening Center Center Affiliation: Columbia University Molecular Screening Center Assay Provider: Drs. Tomas Mustelin and Lutz Tautz, Burnham Institute for Medical Research, La Jolla, CA Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: X01-MH077604-01 LYP, a lymphocyte specific protein tyrosine phosphatase that plays a critical regulatory role ... aid1031.table aid1031.tbin
1032 196255 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Pat Griffin, TSRI Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1 X01 MH079861-01 Grant Proposal PI: Pat Griffin, TSRI External Assay ID: PPARgSRC2_AG_TRFRET_1536_%ACT Name: Pimary biochemical High Throughput Screening assay for agonists of the steroid receptor coactivator 2 (SRC-2) recruitment by the... aid1032.table aid1032.tbin
1033 3684 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: XO1 MH078942 Assay Provider: Dr. Maurizio Pellecchia, Sanford-Burnham Medical Research Institute The misregulation of protein folding often results in a variety of deleterious consequences on cellular function that range from the accumulation of protein aggregates l... aid1033.table aid1033.tbin
1034 227 Data Source: Columbia University Molecular Screening Center Source (MLSCN Center Name): Columbia University Molecular Screening Center Center Affiliation: Columbia University Molecular Screening Center Assay Provider: Thomas Mayer, Columbia University Molecular Screening Center Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1R03 MH076343-01 Cytokines such as TNF alpha and IL-1B activate a pro-inflammatory response in endothelial cells by nuclear translocation ... aid1034.table aid1034.tbin
1035 14 NIH Molecular Libraries Screening Centers Network [MLSCN] NIH Chemical Genomics Center [NCGC] MLSCN Grant: 1 X01 MH079860-01 Assay Provider: Elisabeth D. Martinez, University of Texas SW Medical Center NCGC Assay Overview: This secondary assay characterizes selected actives identified in the qHTS of the Locus Derepression (LDR) assay (PubChem AID 597). The LDR assay detects the derepression of a GFP reporter that is stably integrated in a region of the genome of murine c127i mammary cells that... aid1035.table aid1035.tbin
1036 9 NIH Molecular Libraries Screening Centers Network [MLSCN] NIH Chemical Genomics Center [NCGC] MLSCN Grant: 1 X01 MH079860-01 Assay Provider: Elisabeth D. Martinez, University of Texas SW Medical Center NCGC Assay Overview: This secondary assay characterizes selected actives identified in the qHTS of the Locus Derepression (LDR) assay (PubChem AID 597). The LDR assay detects the derepression of a GFP reporter that is stably integrated in a region of the genome of murine c127i mammary cells that... aid1036.table aid1036.tbin
1037 9 NIH Molecular Libraries Screening Centers Network [MLSCN] NIH Chemical Genomics Center [NCGC] MLSCN Grant: 1 X01 MH079860-01 Assay Provider: Elisabeth D. Martinez, University of Texas SW Medical Center NCGC Assay Overview: This secondary assay characterizes selected actives identified in the qHTS of the Locus Derepression (LDR) assay (PubChem AID 597). The LDR assay detects the derepression of a GFP reporter that is stably integrated in a region of the genome of murine c127i mammary cells that... aid1037.table aid1037.tbin
1038 9 NIH Molecular Libraries Screening Centers Network [MLSCN] NIH Chemical Genomics Center [NCGC] MLSCN Grant: 1 X01 MH079860-01 Assay Provider: Elisabeth D. Martinez, University of Texas SW Medical Center NCGC Assay Overview: This secondary assay characterizes selected actives identified in the qHTS of the Locus Derepression (LDR) assay (PubChem AID 597). The LDR assay detects the derepression of a GFP reporter that is stably integrated in a region of the genome of murine c127i mammary cells that... aid1038.table aid1038.tbin
1039 9 NIH Molecular Libraries Screening Centers Network [MLSCN] NIH Chemical Genomics Center [NCGC] MLSCN Grant: 1 X01 MH079860-01 Assay Provider: Elisabeth D. Martinez, University of Texas SW Medical Center NCGC Assay Overview: This secondary assay characterizes selected actives identified in the qHTS of the Locus Derepression (LDR) assay (PubChem AID 597). The LDR assay detects the derepression of a GFP reporter that is stably integrated in a region of the genome of murine c127i mammary cells that... aid1039.table aid1039.tbin
1040 196255 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Claes Wahlestedt, TSRI Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number 1 R21 NS056950-01 Grant Proposal PI: Claes Wahlestedt External Assay ID: NPY-Y1_ANT_CNGC_1536_%INH Name: Primary cell-based high-throughput screening assay for antagonists of NPY-Y1 Description: Neuropeptide Y (NPY) is a neurotransm... aid1040.table aid1040.tbin
1041 13 NIH Molecular Libraries Screening Centers Network [MLSCN] NIH Chemical Genomics Center [NCGC] MLSCN Grant: 1 X01 MH079860-01 Assay Provider: Elisabeth D. Martinez, University of Texas SW Medical Center NCGC Assay Overview: This secondary assay characterizes selected actives identified in the qHTS of the Locus Derepression (LDR) assay (PubChem AID 597). The LDR assay detects the derepression of a GFP reporter that is stably integrated in a region of the genome of murine c127i mammary cells that... aid1041.table aid1041.tbin
1042 13 NIH Molecular Libraries Screening Centers Network [MLSCN] NIH Chemical Genomics Center [NCGC] MLSCN Grant: 1 X01 MH079860-01 Assay Provider: Elisabeth D. Martinez, University of Texas SW Medical Center NCGC Assay Overview: This secondary assay characterizes selected actives identified in the qHTS of the Locus Derepression (LDR) assay (PubChem AID 597). The LDR assay detects the derepression of a GFP reporter that is stably integrated in a region of the genome of murine c127i mammary cells that... aid1042.table aid1042.tbin
1043 12 NIH Molecular Libraries Screening Centers Network [MLSCN] NIH Chemical Genomics Center [NCGC] MLSCN Grant: 1 X01 MH079860-01 Assay Provider: Elisabeth D. Martinez, University of Texas SW Medical Center NCGC Assay Overview: This secondary assay characterizes selected actives identified in the qHTS of the Locus Derepression (LDR) assay (PubChem AID 597). The LDR assay detects the derepression of a GFP reporter that is stably integrated in a region of the genome of murine c127i mammary cells that... aid1043.table aid1043.tbin
1044 15999 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: The Scripps Research Institute Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1 R03 MH076533-01 Grant Proposal PI: Germana Sanna External Assay ID: S1P1_AG_BLA_384_%ACT Name: Primary cell-based high-throughput screening assay to identify agonists of Sphingosine 1-Phosphate receptor 1 (S1P1) Descri... aid1044.table aid1044.tbin
1045 1515 Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening Centers Network (MLSCN) Submitted by Dr. Todd Waldman (Lombardi Cancer Center, Georgetown University School of Medicine) Award: R03-NS053741 Numerous genes have been identified which participate, either through activation (oncogenes) or inactivation (tumor suppressors), in the multifactorial process of carcinogenesis (Vogelstein B and Kinzler KW, 200... aid1045.table aid1045.tbin
1046 217250 Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsylvania MLSCN Grant: X01-MH076406-01 Target Prothrombin, a 72 kDa blood zymogen (plasma concentration = 2 uM, (1)) is converted to thrombin by factor Xa (FXa) in the prothrombinase complex on platelets by cleavage of R271 and R320. Thrombin then further processes itself by cleavage at R155 and R284 in order to remove prothrombin fragment 1 and fra... aid1046.table aid1046.tbin
1047 1515 Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening Centers Network (MLSCN) Submitted by Dr. Todd Waldman (Lombardi Cancer Center, Georgetown University School of Medicine) Award: R03-NS053741 Numerous genes have been identified which participate, either through activation (oncogenes) or inactivation (tumor suppressors), in the multifactorial process of carcinogenesis (Vogelstein B and Kinzler KW, 200... aid1047.table aid1047.tbin
1048 99367 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Scripps Florida Network: Molecular Library Screening Center Network (MLSCN) Proposal Number: 1 X01 MH079861-01 Grant Proposal PI: Pat Griffin, TSRI External Assay ID: PPARgSRC3_ARTEFACT_TRFRET_1536_RAW RATIO Name: Measurement of TR-FRET detection format artefact in the screen for agonists of steroid receptor coactivator 3 (SRC-3) recruit... aid1048.table aid1048.tbin
1049 196255 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Pat Griffin, TSRI Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1 X01 MH079861-01 Grant Proposal PI: Pat Griffin, TSRI External Assay ID: PPARgSRC2_ARTEFACT_TRFRET_1536_RAW RATIO Name: Measurement of TR-FRET detection format artefact in the screen for agonists of steroid receptor coactivator 2 (SRC-2... aid1049.table aid1049.tbin
1050 11 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Florida Research Institute, TSRI Assay Provider: Steven Brown, TSRI Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1 R21 NS057101-01 Grant Proposal PI: Steven Brown External Assay ID: GALR2_AG_BLA_1536_EC50 Name: Dose Response cell-based high-throughput screening assay to identify agonists of galanin receptor 2 (GALR2) Description: Galanin, a 29 am... aid1050.table aid1050.tbin
1051 99367 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Pat Griffin, TSRI Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1 X01 MH079861-01 Grant Proposal PI: Pat Griffin, TSRI External Assay ID: PPARgSRC1_ARTEFACT_TRFRET_1536_RAW RATIO Name: Measurement of TR-FRET detection format artefact in the screen for agonists of steroid receptor coactivator 1 (SRC-1... aid1051.table aid1051.tbin
1052 112 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: XO1 MH076390-01 Assay Provider: Dr. John Lazo, University of Pittsburg This assay is designed as a counter-screen for the MKP-3 in vitro HTS assay (AID 425) aimed at identification of compounds with time-dependent behavior. MKP-3 (mitogen-activated protein kinase p... aid1052.table aid1052.tbin
1053 184 List of compounds to be tested: 184 purchased chemical analogs of selected hits identified in the in vitro PLK1-PBD binding primary screen AID 693, and confirmed in the 10-point concentration response assay AID 877. Extracted from the MH078944 proposal submitted by Dr. Michael Yaffe of MIT. The Polo-like kinases (Plks) play important roles in many cell cycle-related events including the initiation of mitosis, chromosome segregation, centrosome maturation, bipolar spindle formation, regulation o... aid1053.table aid1053.tbin
1054 136 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: XO1 MH076390-01 Assay Provider: Dr. John Lazo, University of Pittsburg This assay is designed as a counter-screen for the MKP-3 in vitro HTS assay (AID 425) aimed at identification of compounds modulating the redox state of the enzyme active site. MKP-3 (mitogen-a... aid1054.table aid1054.tbin
1055 193 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: XO1 MH076390-01 Assay Provider: Dr. John Lazo, University of Pittsburg This MKP-3 dose response assay is developed and performed for the purpose of SAR study on analogs of hits originally identified in the MKP-3 in vitro HTS assay (AID 425) MKP-3 (mitogen-activated... aid1055.table aid1055.tbin
1056 485 Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: MH077602-01 Assay Provider: Dr. Jose Luis Millan, Sanford-Burnham Medical Research Institute, San Diego, CA This TNAP dose response assay is developed and performed for the purpose of SAR study on analogs of hits originally identified in the TNAP luminescent HTS assay (AID 518) Alkaline phosphatase (EC 3.1... aid1056.table aid1056.tbin
1057 33 List of compounds to be tested: 33 component starting materials and chemical analogs of the hits identified in the in vitro PLK1-PBD binding primary screen AID 693, and confirmed in the 10-point concentration response assay AID 877. None of the chemistry analogs tested were confirmed active. Extracted from the MH078944 proposal submitted by Dr. Michael Yaffe of MIT. The Polo-like kinases (Plks) play important roles in many cell cycle-related events including the initiation of mitosis, chromosom... aid1057.table aid1057.tbin
1058 37 NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: F.M. Hoffmann, University of Wisconsin-Madison MLSCN Grant: 1R21NS057002-01 Assay Overview: Transforming growth factor beta (TGF-Beta) regulates a variety of processes in mammalian cells, including proliferation, apoptosis, cell migration and extracellular matrix production. Aberrant increases in TGF-Beta signaling have been implicated in several pathological conditions ... aid1058.table aid1058.tbin
1059 112 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: XO1 MH077603-01 Assay Provider: Dr. Tomas Mustelin, Sanford-Burnham Medical Research Institute This HePTP dose response assay is developed and performed for the purpose of SAR study on analogs of hits originally identified in the HePTPcolorimetric HTS assay (AID 521)... aid1059.table aid1059.tbin
1060 354 NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, University of Illinois Urbana-Champaign MLSCN Grant: 1 X01MH78953-01 Assay Overview Estrogens, which are responsible for the growth of many breast cancers, act through the estrogen receptors, ER-alpha and ER-beta, which are ligand-modulated transcription factors and members of the nuclear receptor gene superfamily. ER-alpha and ER-beta are wel... aid1060.table aid1060.tbin
1061 6 Principal Investigator: Bruce S. Edwards, Ph.D Grant: NIH 1R03MH076381-01 Screening Center: New Mexico Molecular Libraries Screening Center Assay Background and Significance Formyl peptide receptors. The G-protein coupled formylpeptide receptor (FPR) was one of the originating members of the chemoattractant receptor superfamily (Le et al., 2002a; Oppenheim et al., 1991). N-formylated peptides such as fMLF are high affinity FPR ligands that trigger a variety of biologic activities in myeloid ce... aid1061.table aid1061.tbin
1062 21 University of New Mexico Assay Overview: Assay Support: NIH 1 X01 MH077613-01 Assay for disassembly of the 26S Proteasome PI: Dorota Skowyra, PhD Assay implementation: Peter Simons PhD, Irena Ivnitski-Steele PhD, Terry Foutz BS, Mark Carter MS, Anna Waller PhD Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) Assay Background and Significance The 26S proteasome is a highly conserved ATP-dependent protease that plays a central role in the control of protein stability in all ... aid1062.table aid1062.tbin
1063 196173 No grant number Infection with Leishmania represents a major health concern in the developing world, with approximately 1.2 to 1.5 million cases reported annually and 350 million people (globally) at risk of infection. The limited number of available leishmaniasis treatments is complicated by (1) serious (toxic) side effects; and (2) an increase in chemoresistance. Therefore, the identification of new small molecules for the treatment of leishmaniasis is a critical. A simple, inexpensive and... aid1063.table aid1063.tbin
1064 5329 SMM on stem cell growth factors aid1064.table aid1064.tbin
1065 5329 SMM screen on torsin A, vimentin, XIP, LULL1 and LAP1 aid1065.table aid1065.tbin
1066 194423 Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening Centers Network (MLSCN) Submitted by Dr. Cynthia Stauffacher (Purdue University) Award: 1-R03-MH082373-01 A number of common human pathogens, including Enterococcus faecalis, Streptococcus pneumoniae, and Staphylococcus aureus, are becoming progressively more resistant to antibiotics and pose a serious public health threat, especially to post-surgic... aid1066.table aid1066.tbin
1067 5329 SMM on stem cell growth factors aid1067.table aid1067.tbin
1068 35 NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Keith D. Wilkinson, Emory University MLSCN Grant: 1 R03 MH076382-01 Assay Overview: BAP1 (BRCA1 associated protein 1) is a member of the Ubiquitin carboxy-terminal hydrolase (UCH) family of deubiquitinating enzymes (DUB). We have identified small molecule inhibitors of BAP1 using a kinetic, fluorescence intensity high-throughput screen. In this assay, ubiquitin conjugated... aid1068.table aid1068.tbin
1069 430 University of New Mexico Assay Overview Assay Support: 1 X01 MH078937-01 MLSCN Assay for Activators of Prostate Cell Differentiation PI: Todd A. Thompson, PhD Assay Implementation: Mark Haynes PhD, Mark Carter MS, Anna Waller PhD Target Team Leader for the Center: Eric Prossnitz (EProssnitz@salud.unm.edu) Assay Background and Significance: Prostate cancer is the third leading cause of cancer-related deaths among men in the United States [Jemal A, et al. 2005]. Although there is no known etiolo... aid1069.table aid1069.tbin
1070 141 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: XO1 MH077632-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute This Bfl-1 dose response assay is developed and performed for the purpose of SAR study on analogs of hits originally identified in the Bfl-1 fluorescence polarization HTS ass... aid1070.table aid1070.tbin
1071 5329 SMM on stem cell growth factors aid1071.table aid1071.tbin
1072 52 Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screening Centers Network (MLSCN) MLSCN Grant: XO1 MH079863-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute This Hsp70 dose response assay is developed and performed for the purpose of SAR study on analogs of hits originally identified in the fluorescence polarization HTS assay for Hsp70 Inhibitors (AID 583). Over-express... aid1072.table aid1072.tbin
1073 5329 SMM on stem cell growth factors aid1073.table aid1073.tbin
1074 10 Emory Chemistry-Biology Discovery Center Assay Overview: Grant number: none Paramyxoviruses comprise several major human pathogens. Although a live-attenuated vaccine protects against measles virus (MV), a member of the paramyxovirus family, the virus remains a principal cause of worldwide mortality and accounts for approximately 21 million cases and 300,000 to 400,000 deaths annually. The development of novel antivirals that allow improved case management of severe measles and silence viral out... aid1074.table aid1074.tbin
1075 5329 SMM screen on proteins relevant to psychiatric diseases aid1075.table aid1075.tbin
1076 430 University of New Mexico Assay Overview Assay Support: 1 X01 MH078937-01 MLSCN Assay for Activators of Prostate Cell Differentiation PI: Todd A. Thompson, PhD Assay Implementation: Mark Haynes PhD, Mark Carter MS, Anna Waller PhD Target Team Leader for the Center: Eric Prossnitz (EProssnitz@salud.unm.edu) Assay Background and Significance: Prostate cancer is the third leading cause of cancer-related deaths among men in the United States [Jemal A, et al. 2005]. Although there is no known etiol... aid1076.table aid1076.tbin
1077 245 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: XO1 MH077603-01 Assay Provider: Dr. Tomas Mustelin, Sanford-Burnham Medical Research Institute Protein tyrosine phosphatases (PTPs), working with protein tyrosine kinases (PTKs), control the phosphorylation state of many proteins in the signal transduction pathways.... aid1077.table aid1077.tbin
1078 24 NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, University of Illinois Urbana-Champaign MLSCN Grant: 1 X01MH78953-01 Assay Overview Menopause is associated with the onset of hot flashes, night sweats, mood changes, and urogenital atrophy, which many women find distressing enough to seek medical management for relief. Estrogens in the form of hormone therapy (HT) have been the standard treatmen... aid1078.table aid1078.tbin
1079 23 NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, University of Illinois at Urbana-Champaign MLSCN Grant: 1 X01MH78953-01 Assay Overview Estrogens, which are responsible for the growth of many breast cancers, act through the estrogen receptors, ER-alpha and ER-beta, which are ligand-modulated transcription factors and members of the nuclear receptor gene superfamily. ER-alpha and ER-beta are ... aid1079.table aid1079.tbin
1080 1344 NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Raymond Dingledine, Emory University MLSCN Grant: 5-U01NS058158-02 Assay Overview: Injury of the brain is a major cause of death and morbidity after the prolonged seizures termed status epilepticus (SE). Studies in rodents have demonstrated that cyclooxygenase 2 (COX2) activation by ischemia and SE generally contributes to neuronal injury, but multiple downstream COX2 si... aid1080.table aid1080.tbin
1081 5329 SMM screen on proteins relevant to psychiatric diseases aid1081.table aid1081.tbin
1082 38 List of compounds to be tested: 37 component starting materials and chemical analogs of the 861574 hit identified in the in vitro PLK1-PBD binding primary screen AID 693, and confirmed in the 10-point concentration response assay AID 877. Extracted from the MH078944 proposal submitted by Dr. Michael Yaffe of MIT. The Polo-like kinases (Plks) play important roles in many cell cycle-related events including the initiation of mitosis, chromosome segregation, centrosome maturation, bipolar spindle... aid1082.table aid1082.tbin
1083 184 List of compounds to be tested: 184 purchased chemical analogs of selected hits identified in the in vitro PLK1-PBD binding primary screen AID 693, and confirmed in the 10-point concentration response assay AID 877. Extracted from the MH078944 proposal submitted by Dr. Michael Yaffe of MIT. The Polo-like kinases (Plks) play important roles in many cell cycle-related events including the initiation of mitosis, chromosome segregation, centrosome maturation, bipolar spindle formation, regulation o... aid1083.table aid1083.tbin
1084 5329 muscle differentiation and reporter gene assay for inhibition of FRG1 aid1084.table aid1084.tbin
1085 218788 NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Theodore Jardetzky; Northwestern University MLSCN Grant: 1R21NS059415-01 Epstein-Barr virus (EBV), or human herpes virus 4 (HHV-4), is a member of the larger herpesvirus family that consists of three subfamilies (&#945;, &#946;, &#947;). Epstein-Barr virus (EBV) is an extremely prevalent human herpesvirus. Disease syndromes in humans caused by EBV reflect the cell types that... aid1085.table aid1085.tbin
1086 5329 SMM on stem cell growth factors aid1086.table aid1086.tbin
1087 5329 SMM on stem cell growth factors aid1087.table aid1087.tbin
1088 5329 SMM screen for Sam68 and PRMT1 aid1088.table aid1088.tbin
1089 5329 comparative chemical genomics in yeasts aid1089.table aid1089.tbin
1090 5329 comparative chemical genomics in yeasts aid1090.table aid1090.tbin
1091 5329 comparative chemical genomics in yeasts aid1091.table aid1091.tbin
1092 5329 SMM screen on torsin A, vimentin, XIP, LULL1 and LAP1 aid1092.table aid1092.tbin
1093 5329 E. coli filamentation assay aid1093.table aid1093.tbin
1094 5329 SMM on stem cell growth factors aid1094.table aid1094.tbin
1095 5329 SMM on stem cell growth factors aid1095.table aid1095.tbin
1096 5329 SMM on stem cell growth factors aid1096.table aid1096.tbin
1097 5329 SMM on stem cell growth factors aid1097.table aid1097.tbin
1098 5329 SMM screen for pfSir2 binders aid1098.table aid1098.tbin
1099 5329 SMM on stem cell growth factors aid1099.table aid1099.tbin
1100 5329 SMM on stem cell growth factors aid1100.table aid1100.tbin
1101 5329 mammalian splicing inhibition reporter gene assay aid1101.table aid1101.tbin
1102 5329 SMM on stem cell growth factors aid1102.table aid1102.tbin
1103 5329 SMM screen on proteins relevant to psychiatric diseases aid1103.table aid1103.tbin
1104 5329 SMM on stem cell growth factors aid1104.table aid1104.tbin
1105 5329 SMM on stem cell growth factors aid1105.table aid1105.tbin
1106 5329 SMM on stem cell growth factors aid1106.table aid1106.tbin
1107 5329 SMM on stem cell growth factors aid1107.table aid1107.tbin
1108 5329 SMM screen of HPV-E7 aid1108.table aid1108.tbin
1109 5329 hepatitis C virus replication reporter gene assay aid1109.table aid1109.tbin
1110 5329 SMM on stem cell growth factors aid1110.table aid1110.tbin
1111 5329 SMM vanguard set to annotate compounds that bind to a set of control proteins aid1111.table aid1111.tbin
1112 5329 SMM vanguard set to annotate compounds that bind to a set of control proteins aid1112.table aid1112.tbin
1113 5329 SMM on stem cell growth factors aid1113.table aid1113.tbin
1114 5329 SMM on stem cell growth factors aid1114.table aid1114.tbin
1115 5329 SMM on stem cell growth factors aid1115.table aid1115.tbin
1116 5329 SMM screen on torsin A, vimentin, XIP, LULL1 and LAP1 aid1116.table aid1116.tbin
1117 5329 SMM vanguard set to annotate compounds that bind to a set of control proteins aid1117.table aid1117.tbin
1118 5329 SMM vanguard set to annotate compounds that bind to a set of control proteins aid1118.table aid1118.tbin
1119 5329 SMM screen on torsin A, vimentin, XIP, LULL1 and LAP1 aid1119.table aid1119.tbin
1120 5329 SMM on stem cell growth factors aid1120.table aid1120.tbin
1121 5329 SMM on stem cell growth factors aid1121.table aid1121.tbin
1122 5329 SMM vanguard set to annotate compounds that bind to a set of control proteins aid1122.table aid1122.tbin
1123 5329 SMM screen on torsin A, vimentin, XIP, LULL1 and LAP1 aid1123.table aid1123.tbin
1124 5329 SMM screen on torsin A, vimentin, XIP, LULL1 and LAP1 aid1124.table aid1124.tbin
1125 5329 SMM screen for Sam68 and PRMT1 aid1125.table aid1125.tbin
1126 5329 SMM on stem cell growth factors aid1126.table aid1126.tbin
1127 5329 SMM vanguard set to annotate compounds that bind to a set of control proteins aid1127.table aid1127.tbin
1128 5329 SMM vanguard set to annotate compounds that bind to a set of control proteins aid1128.table aid1128.tbin
1129 5329 SMM screen of HPV-E7 aid1129.table aid1129.tbin
1130 5329 SMM screen for focal adhesion protein binders aid1130.table aid1130.tbin
1131 5329 SMM vanguard set to annotate compounds that bind to a set of control proteins aid1131.table aid1131.tbin
1132 5329 SMM on stem cell growth factors aid1132.table aid1132.tbin
1133 5329 SMM on stem cell growth factors aid1133.table aid1133.tbin
1134 32 NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Grant number: 1 R03 MH076382-01 BAP1 (BRCA1 associated protein 1) is a member of the Ubiquitin carboxy-terminal hydrolase (UCH) family of deubiquitinating enzymes (DUB). The importance of ubiquitin conjugation in many cellular processes suggests a critical role of DUBs in normal physiology and potentially in pathological conditions. Small molecule BAP1 inhibitors were identified using a k... aid1134.table aid1134.tbin
1135 195624 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Proposal Number: MH077602-01 Assay Provider: Dr. Jose Luis Millan, Sanford-Burnham Medical Research Institute, San Diego, CA Alkaline phosphatases (EC 3.1.3.1) (APs) catalyze the hydrolysis of phosphomonoesters, releasing phosphate and alcohol. APs are dimeric enzymes found ... aid1135.table aid1135.tbin
1136 195624 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Proposal Number: R03 MH082385-01 Assay Provider: Dr. Jose Luis Millan, Sanford-Burnham Medical Research Institute, San Diego, CA Alkaline phosphatases (EC 3.1.3.1) (APs) catalyze the hydrolysis of phosphomonoesters, releasing phosphate and alcohol. APs are dimeric enzymes f... aid1136.table aid1136.tbin
1137 8 NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Eric Sandberg, ZYGOGEN, LLC MLSCN Grant: 1 X01 MH077629-01 Assay Overview: Pathological angiogenesis contributes to over 70 diseases, including cancer, age-related macular degeneration and rheumatoid arthritis. Current in vitro models employed in screening compounds for effects on angiogenesis lack the biological complexity of in vivo systems. Zygogen, LLC developed a r... aid1137.table aid1137.tbin
1138 5329 chemical-genetic profiling of PK04 Diversity Set aid1138.table aid1138.tbin
1139 5329 SMM on stem cell growth factors aid1139.table aid1139.tbin
1140 5329 SMM vanguard set to annotate compounds that bind to a set of control proteins aid1140.table aid1140.tbin
1141 5329 luciferase inhibition assay aid1141.table aid1141.tbin
1142 5329 SMM on stem cell growth factors aid1142.table aid1142.tbin
1143 5329 hepatitis C virus replication reporter gene assay aid1143.table aid1143.tbin
1144 5003 Pseudomonas biofilm formation assay aid1144.table aid1144.tbin
1145 5329 mammalian CREB reporter gene assay aid1145.table aid1145.tbin
1146 5329 mammalian CREB reporter gene assay aid1146.table aid1146.tbin
1147 5329 SMM vanguard set to annotate compounds that bind to a set of control proteins aid1147.table aid1147.tbin
1148 5329 SMM on stem cell growth factors aid1148.table aid1148.tbin
1149 5329 SMM screen on torsin A, vimentin, XIP, LULL1 and LAP1 aid1149.table aid1149.tbin
1150 5329 SMM screen on torsin A, vimentin, XIP, LULL1 and LAP1 aid1150.table aid1150.tbin
1151 5329 SMM on stem cell growth factors aid1151.table aid1151.tbin
1152 5329 E. coli filamentation assay aid1152.table aid1152.tbin
1153 5329 SMM on stem cell growth factors aid1153.table aid1153.tbin
1154 5329 permeant solute osmotic lysis assay aid1154.table aid1154.tbin
1155 5329 permeant solute osmotic lysis assay aid1155.table aid1155.tbin
1156 5329 permeant solute osmotic lysis assay aid1156.table aid1156.tbin
1157 5329 permeant solute osmotic lysis assay aid1157.table aid1157.tbin
1158 5329 cytoblot for phosphorylation of S6 protein kinase aid1158.table aid1158.tbin
1159 5329 mammalian NOX2/4/5 superoxide generation assay aid1159.table aid1159.tbin
1160 5329 mammalian NOX2/4/5 superoxide generation assay aid1160.table aid1160.tbin
1161 5329 mammalian NOX2/4/5 superoxide generation assay aid1161.table aid1161.tbin
1162 5329 chemical-genetic profiling of PK04 Diversity Set aid1162.table aid1162.tbin
1163 5329 chemical-genetic profiling of PK04 Diversity Set aid1163.table aid1163.tbin
1164 5329 chemical-genetic profiling of PK04 Diversity Set aid1164.table aid1164.tbin
1165 5329 chemical-genetic profiling of PK04 Diversity Set aid1165.table aid1165.tbin
1166 5329 chemical-genetic profiling of PK04 Diversity Set aid1166.table aid1166.tbin
1167 5329 chemical-genetic profiling of PK04 Diversity Set aid1167.table aid1167.tbin
1168 5329 chemical-genetic profiling of PK04 Diversity Set aid1168.table aid1168.tbin
1169 5329 chemical-genetic profiling of PK04 Diversity Set aid1169.table aid1169.tbin
1170 5329 chemical-genetic profiling of PK04 Diversity Set aid1170.table aid1170.tbin
1171 5329 chemical-genetic profiling of PK04 Diversity Set aid1171.table aid1171.tbin
1172 5329 chemical-genetic profiling of PK04 Diversity Set aid1172.table aid1172.tbin
1173 5329 comparative chemical genomics in yeasts aid1173.table aid1173.tbin
1174 5329 chemical-genetic profiling of PK04 Diversity Set aid1174.table aid1174.tbin
1175 5329 enzyme inhibition of dihydroorotate dehydrogenase aid1175.table aid1175.tbin
1176 5003 Pseudomonas biofilm formation assay aid1176.table aid1176.tbin
1177 5329 comparative chemical genomics in yeasts aid1177.table aid1177.tbin
1178 5329 E. coli filamentation assay aid1178.table aid1178.tbin
1179 5329 E. coli filamentation assay aid1179.table aid1179.tbin
1180 5329 chemical-genetic profiling of PK04 Diversity Set aid1180.table aid1180.tbin
1181 5329 SMM screen for proteins involved in apoptosis aid1181.table aid1181.tbin
1182 5329 SMM screen on torsin A, vimentin, XIP, LULL1 and LAP1 aid1182.table aid1182.tbin
1183 5329 SMM screen on torsin A, vimentin, XIP, LULL1 and LAP1 aid1183.table aid1183.tbin
1184 5329 Plasmodium whole-cell live/dead viability assay aid1184.table aid1184.tbin
1185 5329 fluorescence polarization screen for Hox protein:DNA interaction aid1185.table aid1185.tbin
1186 4423 imaging screen for inhibition of hydroxyurea-induced DNA damage aid1186.table aid1186.tbin
1187 4423 imaging screen for inhibition of hydroxyurea-induced DNA damage aid1187.table aid1187.tbin
1188 617 The EPA Fathead Minnow Acute Toxicity database was generated by the U.S. EPA Mid-Continental Ecology Division (MED) for the purpose of developing an expert system to predict acute toxicity from chemical structure based on mode of action considerations. Hence, an important and unusual characteristic of this toxicity database is that the 617 tested industrial organic chemicals were expressly chosen to serve as a useful training set for development of predictive quantitative structure-activity relat... aid1188.table aid1188.tbin
1189 1547 The Carcinogenic Potency Database (CPDB) is a unique and widely used international resource of the results of over 6500 chronic, long-term animal cancer tests on over 1500 chemical substances. The CPDB provides easy access to the bioassay literature, with qualitative and quantitative analyses of both positive and negative experiments that have been published over the past 50 years in the general literature and by the National Cancer Institute/National Toxicology Program. The CPDB standardizes the... aid1189.table aid1189.tbin
1190 32 The Carcinogenic Potency Database (CPDB) is a unique and widely used international resource of the results of over 6500 chronic, long-term animal cancer tests on over 1500 chemical substances. The CPDB provides easy access to the bioassay literature, with qualitative and quantitative analyses of both positive and negative experiments that have been published over the past 50 years in the general literature and by the National Cancer Institute/National Toxicology Program. The CPDB standardizes the... aid1190.table aid1190.tbin
1191 87 The Carcinogenic Potency Database (CPDB) is a unique and widely used international resource of the results of over 6500 chronic, long-term animal cancer tests on over 1500 chemical substances. The CPDB provides easy access to the bioassay literature, with qualitative and quantitative analyses of both positive and negative experiments that have been published over the past 50 years in the general literature and by the National Cancer Institute/National Toxicology Program. The CPDB standardizes the... aid1191.table aid1191.tbin
1192 10 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Hugh Rosen, TSRI Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1 R03 MH076533-01 Grant Proposal PI: Germana Sanna External Assay ID: S1P3_AG_BLA_384_EC50_Purchased_Analogues Name: Dose Response Cell-Based Assay for Agonists of the Sphingosine 1-Phosphate Receptor 3 (S1P3): Purchased Analogues De... aid1192.table aid1192.tbin
1193 53 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) MLSCN Grant: XO1 MH079863-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute ) This Hsc70 dose response assay is developed and performed to study the specificity of analogs of hits tested in the "In Vitro Hsp70 Dose Response Fluorescence Polarization... aid1193.table aid1193.tbin
1194 860 The Carcinogenic Potency Database (CPDB) is a unique and widely used international resource of the results of over 6500 chronic, long-term animal cancer tests on over 1500 chemical substances. The CPDB provides easy access to the bioassay literature, with qualitative and quantitative analyses of both positive and negative experiments that have been published over the past 50 years in the general literature and by the National Cancer Institute/National Toxicology Program. The CPDB standardizes the... aid1194.table aid1194.tbin
1195 1216 The Food and Drug Administration (FDA) Center for Drug Evaluation and Research, Office of Pharmaceutical Science, Informatics and Computational Safety Analysis Staff's Maximum Recommended Daily Dose (FDAMDD) database contains values for over 1200 pharmaceuticals listed in Martindale: The Extra Pharmacopoeia (1973, 1983, and 1993) and The Physicians' Desk Reference (1995 and 1999). Some classes of chemicals were excluded from the FDAMDD database due to their unsuitability for most QSAR modeling pr... aid1195.table aid1195.tbin
1196 95 University of New Mexico Assay Overview Assay Support: 1 X01 MH078937-01 MLSCN Assay for Activators of Prostate Cell Differentiation PI: Todd A. Thompson, PhD Assay Implementation: Mark Haynes PhD, Mark Carter MS, Anna Waller PhD, Target Team Leader for the Center: Eric Prossnitz (EProssnitz@salud.unm.edu) Assay Background and Significance: Prostate cancer is the third leading cause of cancer-related deaths among men in the United States [Jemal A, et al. 2005]. Although there is no known etio... aid1196.table aid1196.tbin
1197 95 University of New Mexico Assay Overview Assay Support: 1 X01 MH078937-01 MLSCN Assay for Activators of Prostate Cell Differentiation PI: Todd A. Thompson, PhD Assay Implementation: Mark Haynes PhD, Mark Carter MS, Anna Waller PhD Target Team Leader for the Center: Eric Prossnitz (EProssnitz@salud.unm.edu) Assay Background and Significance: Prostate cancer is the third leading cause of cancer-related deaths among men in the United States [Jemal A, et al. 2005]. Although there is no known etiol... aid1197.table aid1197.tbin
1198 95 University of New Mexico Assay Overview Assay Support: 1 X01 MH078937-01 MLSCN Assay for Activators of Prostate Cell Differentiation PI: Todd A. Thompson, PhD Assay Implementation: Mark Haynes PhD, Mark Carter MS, Anna Waller PhD, Target Team Leader for the Center: Eric Prossnitz (EProssnitz@salud.unm.edu) Assay Background and Significance: Prostate cancer is the third leading cause of cancer-related deaths among men in the United States [Jemal A, et al. 2005]. Although there is no known etio... aid1198.table aid1198.tbin
1199 1007 The Carcinogenic Potency Database (CPDB) is a unique and widely used international resource of the results of over 6500 chronic, long-term animal cancer tests on over 1500 chemical substances. The CPDB provides easy access to the bioassay literature, with qualitative and quantitative analyses of both positive and negative experiments that have been published over the past 50 years in the general literature and by the National Cancer Institute/National Toxicology Program. The CPDB standardizes the... aid1199.table aid1199.tbin
1200 95 University of New Mexico Assay Overview Assay Support: 1 X01 MH078937-01 MLSCN Assay for Activators of Prostate Cell Differentiation PI: Todd A. Thompson, PhD Assay Implementation: Mark Haynes PhD, Mark Carter MS, Anna Waller PhD Target Team Leader for the Center: Eric Prossnitz (EProssnitz@salud.unm.edu) Assay Background and Significance: Prostate cancer is the third leading cause of cancer-related deaths among men in the United States [Jemal A, et al. 2005]. Although there is no known etiol... aid1200.table aid1200.tbin
1201 209 The DBPCAN data file was derived from data published in [Woo, Y.T., D. Lai, J.L. McLain, M.K. Manibusan, and V. Dellarco (2002) Use of mechanism-based structure-activity relationships analysis in carcinogenic potential ranking for drinking water disinfection by-products, Environ. Health Perspect.,110 Suppl 1: 75-87.]. DBPCAN contains predicted estimates of carcinogenic potential for 209 chemicals detected in finished drinking water samples having undergone water disinfection treatment. Since lit... aid1201.table aid1201.tbin
1202 6 Principal Investigator: Bruce S. Edwards, Ph.D (BEdwards@salud.unm.edu) Grant: NIH 1R03MH076381-01 Screening Center: New Mexico Molecular Libraries Screening Center Background/Significance Formyl peptide receptors. The G-protein coupled formylpeptide receptor(FPR) was one of the originating members of the chemoattractant receptor superfamily (1, 2). N-formylated peptides such as fMLF are high affinity FPR ligands that trigger a variety of biologic activities in myeloid cells, including chemokin... aid1202.table aid1202.tbin
1203 196255 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Richard Morimoto, Northwestern University Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 5 R21 NS056337-02 Grant Proposal PI: Richard Morimoto External Assay ID: HSP70_AG_Lumi_1536_% Act Name: Primary cell-based high-throughput screening assay to identify transcriptional activators of heat shock pro... aid1203.table aid1203.tbin
1204 232 Researchers within FDA's National Center for Toxicological Research (NCTR) generated a database of experimental estrogen receptor binding results for the express purpose of developing improved QSAR models to predict ER binding affinities.The NCTR ER database is a structurally diverse set of natural, synthetic, and environmental estrogens covering most known estrogenic classes and spanning a wide range of biological activity. It represents the largest published ER binding database of same-assay re... aid1204.table aid1204.tbin
1205 1152 The Carcinogenic Potency Database (CPDB) is a unique and widely used international resource of the results of over 6500 chronic, long-term animal cancer tests on over 1500 chemical substances. The CPDB provides easy access to the bioassay literature, with qualitative and quantitative analyses of both positive and negative experiments that have been published over the past 50 years in the general literature and by the National Cancer Institute/National Toxicology Program. The CPDB standardizes the... aid1205.table aid1205.tbin
1206 45 Principal Investigator: Hattie D. Gresham, Ph.D. Grant: NIH 1X01MH078952-01 Screening Center: New Mexico Molecular Libraries Screening Center Target Team Leader for the Center: Bruce Edwards (BEdwards@salud.unm.edu) This report summarizes the series of assays used to identify novel small molecule antagonists directed against signaling pathways involved in quorum sensing, a cell-to-cell communication system that permits members of a bacterial population to coordinate their behavior dependent on... aid1206.table aid1206.tbin
1207 3 University of New Mexico Assay Overview: Assay Support: NIH 1 X01 MH077613-01 Assay for disassembly of the 26S Proteasome PI: Dorota Skowyra, PhD Assay implementation: Chris Allen PhD, Peter Simons PhD, Anna Waller PhD, MaryAnn Osley PhD Target Team Leader for the Center: Larry A. Sklar (LSklar@salud.unm.edu) Assay Background and Significance: The 26S proteasome in a highly conserved ATP-dependent protease that plays a central role in the control of protein stability in all eukaryotic cells. I... aid1207.table aid1207.tbin
1208 1240 The Carcinogenic Potency Database (CPDB) is a unique and widely used international resource of the results of over 6500 chronic, long-term animal cancer tests on over 1500 chemical substances. The CPDB provides easy access to the bioassay literature, with qualitative and quantitative analyses of both positive and negative experiments that have been published over the past 50 years in the general literature and by the National Cancer Institute/National Toxicology Program. The CPDB standardizes the... aid1208.table aid1208.tbin
1209 194226 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: R03 MH082386-01 Assay Provider: Dr. Hudson H. Freeze, Sanford-Burnham Medical Research Institute, San Diego, CA Congenital Disorders of Glycosylation (CDG) are autosomal recessive defects in the synthesis of N-linked oligosaccharide chains. CDG group I (CDG-I) defec... aid1209.table aid1209.tbin
1210 822 University of New Mexico Assay Overview: Assay Support: 1X01 MH077627-01 Assay for Ligands of GPR30 and Classical Estrogen Receptors PI: Eric Prossnitz, PhD Assay Development: Megan Dennis Assay Implementation: Megan Dennis, Mark Haynes, PhD Target Team Leader for the Center: Eric Prossnitz, PhD (EProssnitz@salud.unm.edu) Assay Background and Significance: The physiological effects of estrogen are diverse and numerous, with roles in growth, development and homeostasis of numerous tissues. Rol... aid1210.table aid1210.tbin
1211 822 University of New Mexico Assay Overview: Assay Support: 1X01 MH077627-01 Assay for Ligands of GPR30 and Classical Estrogen Receptors PI: Eric Prossnitz, PhD Assay Development: Megan Dennis Assay Implementation: Megan Dennis, Mark Haynes, PhD Target Team Leader for the Center: Eric Prossnitz, PhD (EProssnitz@salud.unm.edu) Assay Background and Significance: The physiological effects of estrogen are diverse and numerous, with roles in growth, development and homeostasis of numerous tissues. Rol... aid1211.table aid1211.tbin
1212 151 University of New Mexico Assay Overview: Assay Support: 1X01 MH077627-01 Assay for Ligands of GPR30 and Classical Estrogen Receptors PI: Eric Prossnitz, PhD Assay Development: Megan Dennis Assay Implementation: Megan Dennis, Mark Haynes, PhD Target Team Leader for the Center: Eric Prossnitz, PhD (EProssnitz@salud.unm.edu) Assay Background and Significance: The physiological effects of estrogen are diverse and numerous, with roles in growth, development and homeostasis of numerous tissues. Rol... aid1212.table aid1212.tbin
1213 99 University of New Mexico Assay Overview: Assay Support: 1X01 MH077627-01 Assay for Ligands of GPR30 and Classical Estrogen Receptors PI: Eric Prossnitz, PhD Assay Development: Megan Dennis Assay Implementation: Megan Dennis, Mark Haynes, PhD Target Team Leader for the Center: Eric Prossnitz, PhD (EProssnitz@salud.unm.edu) Assay Background and Significance: The physiological effects of estrogen are diverse and numerous, with roles in growth, development and homeostasis of numerous tissues. ... aid1213.table aid1213.tbin
1214 194226 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: R03 MH082386-01 Assay Provider: Dr. Hudson H. Freeze, Sanford-Burnham Medical Research Institute, San Diego, CA Congenital Disorders of Glycosylation (CDG) are autosomal recessive defects in the synthesis of N-linked oligosaccharide chains. CDG group I (CDG-I) defec... aid1214.table aid1214.tbin
1215 529 Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsylvania MLSCN Grant: X01-MH076406-01 Target Prothrombin, a 72 kDa blood zymogen (plasma concentration = 2 uM, (1)) is converted to thrombin by factor Xa (FXa) in the prothrombinase complex on platelets by cleavage of R271 and R320. Thrombin then further processes itself by cleavage at R155 and R284 in order to remove prothrombin fragment 1 and fra... aid1215.table aid1215.tbin
1216 194226 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: R03 MH082386-01 Assay Provider: Dr. Hudson H. Freeze, Sanford-Burnham Medical Research Institute, San Diego, CA Congenital Disorders of Glycosylation (CDG) are autosomal recessive defects in the synthesis of N-linked oligosaccharide chains. CDG group I (CDG-I) defec... aid1216.table aid1216.tbin
1217 194226 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: R03 MH082386-01 Assay Provider: Dr. Hudson H. Freeze, Sanford-Burnham Medical Research Institute, San Diego, CA Diaphorase is an enzyme which reversibly catalyzes the reaction of converting NAD(P)+ to NAD(P)H and transfers its electrons to a variety of Redox dyes, e.... aid1217.table aid1217.tbin
1218 12 The physiological effects of estrogen are diverse and numerous, with roles in growth, development and homeostasis of numerous tissues. Roles for estrogen in mammalian female reproductive development are among the best defined, but estrogen also plays a part in regulation of skeletal cancer, (cardio)vascular function, the central nervous system as well as in the immune system. Stimulation with estrogen induces many signaling pathways, leading to an array of cellular responses including adhesion, m... aid1218.table aid1218.tbin
1219 12 University of New Mexico Assay Overview: Assay Support: 1X01 MH077627-01 Assay for Ligands of GPR30 and Classical Estrogen Receptors PI: Eric Prossnitz, PhD Assay Development: Megan Dennis Assay Implementation: Megan Dennis, Mark Haynes, PhD Target Team Leader for the Center: Eric Prossnitz, PhD (EProssnitz@salud.unm.edu) Assay Background and Significance: The physiological effects of estrogen are diverse and numerous, with roles in growth, development and homeostasis of many tissues. Rol... aid1219.table aid1219.tbin
1220 194226 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: R03 MH082386-01 Assay Provider: Dr. Hudson H. Freeze, Sanford-Burnham Medical Research Institute, San Diego, CA Congenital Disorders of Glycosylation (CDG) are autosomal recessive defects in the synthesis of N-linked oligosaccharide chains. CDG group I (CDG-I) defect... aid1220.table aid1220.tbin
1221 63 University of New Mexico Assay Overview: Assay Support: 1X01 MH077627-01 Assay for Ligands of GPR30 and Classical Estrogen Receptors PI: Eric Prossnitz, PhD Assay Development: Megan Dennis Assay Implementation: Megan Dennis, Mark Haynes, PhD Target Team Leader for the Center: Eric Prossnitz, PhD (EProssnitz@salud.unm.edu) Assay Background and Significance: The physiological effects of estrogen are diverse and numerous, with roles in growth, development and homeostasis of numerous tissues. Rol... aid1221.table aid1221.tbin
1222 187284 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: R03 DA024887-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute The endoplasmic reticulum (ER) fulfills multiple cellular functions (reviewed in [1-4]). The lumen of the ER contains high concentration of Ca2+ due to the transport of calc... aid1222.table aid1222.tbin
1223 63 University of New Mexico Assay Overview: Assay Support: 1X01 MH077627-01 Assay for Ligands of GPR30 and Classical Estrogen Receptors PI: Eric Prossnitz, PhD Assay Development: Megan Dennis Assay Implementation: Megan Dennis, Mark Haynes, PhD Target Team Leader for the Center: Eric Prossnitz, PhD (EProssnitz@salud.unm.edu) Assay Background and Significance: The physiological effects of estrogen are diverse and numerous, with roles in growth, development and homeostasis of numerous tissues. Rol... aid1223.table aid1223.tbin
1224 10 University of New Mexico Assay Overview: Assay Support: 1X01 MH077627-01 Assay for Ligands of GPR30 and Classical Estrogen Receptors PI: Eric Prossnitz, PhD Assay Development: Megan Dennis Assay Implementation: Megan Dennis, Mark Haynes, PhD Target Team Leader for the Center: Eric Prossnitz, PhD (EProssnitz@salud.unm.edu) Assay Background and Significance: The physiological effects of estrogen are diverse and numerous, with roles in growth, development and homeostasis of numerous tissues. Rol... aid1224.table aid1224.tbin
1225 47 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Florida Research Institute, TSRI Assay Provider: Steven Brown, TSRI Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1 R21 NS057101-01 Grant Proposal PI: Steven Brown External Assay ID: GALR2_ANT_BLA_1536_IC50 Name: Dose Response cell-based high-throughput screening assay to identify antagonists of galanin receptor 2 (GALR2) Description: Galanin, a 2... aid1225.table aid1225.tbin
1226 12 University of New Mexico Assay Overview: Assay Support: 1X01 MH077627-01 Assay for Ligands of GPR30 and Classical Estrogen Receptors PI: Eric Prossnitz, PhD Assay Development: Megan Dennis Assay Implementation: Megan Dennis, Mark Haynes, PhD Target Team Leader for the Center: Eric Prossnitz, PhD (EProssnitz@salud.unm.edu) Assay Background and Significance: The physiological effects of estrogen are diverse and numerous, with roles in growth, development and homeostasis of numerous tissues. Rol... aid1226.table aid1226.tbin
1227 744 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: None This glyceraldehydes-3-phosphate dehydrogenase (GAPDH; EC 1.2.1.12) dose-response assay is developed and performed at the Sanford-Burnham Center for Chemical Genomics for characterization of the hits of biochemical assays. GAPDH is found in all mammalian tiss... aid1227.table aid1227.tbin
1228 11 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Florida Research Institute (TSRI) Assay Provider: Steven Brown, TSRI Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1 R21 NS057101-01 Grant Proposal PI: Steven Brown External Assay ID: NFAT_ACT_BLA_1536_EC50 Name: Dose response counterscreen for agonists of galanin receptor 2 (GalR2): a cell-based high-throughput screening assay for activators of bet... aid1228.table aid1228.tbin
1229 194226 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: R03 MH082386-01 Assay Provider: Dr. Hudson H. Freeze, Sanford-Burnham Medical Research Institute, San Diego, CA Diaphorase is an enzyme which reversibly catalyzes the reaction of converting NAD(P)+ to NAD(P)H and transfers its electrons to a variety of Redox dyes, su... aid1229.table aid1229.tbin
1230 207898 Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University MLSCN Grant: R03MH082369-01 The E3 ligases are involved in regulating other proteins by covalent ligation to the 76 amino acid protein ubiquitin. This post-translational modification can result in altered conformation, altered activity, or degradation of the sustrate protein. Thus, E3 ligases are effectors of a major means of post-translational modifi... aid1230.table aid1230.tbin
1231 70 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: XO1 MH077632-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute Apoptosis is governed in part by B-cell lymphoma-2 (Bcl-2)-family proteins.The human genome contains six genes that encode anti-apoptotic members of the Bcl-2 family of whic... aid1231.table aid1231.tbin
1232 10 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Hugh Rosen, TSRI Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1 R03 MH076533-01 Grant Proposal PI: Germana Sanna External Assay ID: S1P2_AG_BLA_384_EC50_Purchased_S1P3_Analogues Name: Dose Response Cell-Based Assay for Agonists of the Sphingosine 1-Phosphate Receptor 2 (S1P2): Purchased Analogue... aid1232.table aid1232.tbin
1233 635 Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening Centers Network (MLSCN) Submitted by Dr. Cynthia Stauffacher (Purdue University) Award: 1-R03-MH082373-01 A number of common human pathogens, including Enterococcus faecalis, Streptococcus pneumoniae, and Staphylococcus aureus, are becoming progressively more resistant to antibiotics and pose a serious public health threat, especially to post-surgic... aid1233.table aid1233.tbin
1234 61 List of compounds to be tested: active compounds identified in the Redox Cycling H2O2 Generation primary screen AID 878, will be confirmed in 10-point concentration response assays. Hydrogen peroxide (H2O2) can modulate (activate or inhibit) the activity of a variety of proteins including protein kinases, protein phosphatases, transcription factors, phospholipases, ion channels and G proteins. H2O2 is capable of oxidizing the cysteine residues of proteins that may be crucial for their catalytic... aid1234.table aid1234.tbin
1235 62139 Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott Diamond, University of Pennsylvania MLSCN Grant: MH076406-01 The alternative complement pathway does not require antibody for its activation. A variety of antigens such as bacterial lipopolysaccharide and components of viruses and other pathogens have the ability to activate this pathway. The complement component C3 is spontaneously cleaved into C3a and C3b fragments. If C3b binds ... aid1235.table aid1235.tbin
1236 218788 NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Jonathan Glass, MD, Emory University School of Medicine MLSCN Grant: R03DA024890-01 Calpains are ubiquitous, calcium-activated cysteine proteases involved in both physiological and pathological cellular functions. The two major forms, u-calpain (calpain I) and m-calpain (calpain II), are activated by micromolar and millimolar calcium concentrations, respectively. A current... aid1236.table aid1236.tbin
1237 349 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Peter Tobias, TSRI Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1 X01 MH079857-01 Grant Proposal PI: Peter Tobias External Assay ID: BLA_INH_BLA_1536_3X%INH Name: Counterscreen for inhibitors of TLR4-MyD88 binding: a cell-based high-throughput screening assay for inhibitors of beta-lactamase activity ... aid1237.table aid1237.tbin
1238 47 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Steven Brown, TSRI Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1 R21 NS057101-01 Grant Proposal PI: Steven Brown External Assay ID: NFAT_INH_BLA_1536_ IC50 Name: Dose response counterscreen for antagonists of galanin receptor 2 (GalR2): a cell-based high-throughput screening assay for inhibitors of beta-la... aid1238.table aid1238.tbin
1239 193297 Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening Centers Network (MLSCN) Submitted by Dr. Maurizio Grimaldi (Neuropharmacology Laboratory, Southern Research Institute) Award: R03 MH082367-01 The pharmacological treatment of neurodegenerative disorders has been a disappointment when compared to the successes obtained in stroke, other neurological diseases like seizures, and in mental health diseases... aid1239.table aid1239.tbin
1240 49567 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA). Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: XO1 MH077632-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute Bcl-B is an anti-apoptotic member of the Bcl-2 family that is prominently expressed in plasma and multiple myeloma cells. TR3 (NR4A1; HMR; NP10; GFRP1; NAK1; NUR77; NGFIB) ... aid1240.table aid1240.tbin
1241 1242 Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening Centers Network (MLSCN) Award: R03 MH082367-01, Submitted by Dr. Maurizio Grimaldi (Neuropharmacology Laboratory, Southern Research Institute) The pharmacological treatment of neurodegenerative disorders has been a disappointment when compared to the successes obtained in stroke, other neurological diseases like seizures, and in mental health disease... aid1241.table aid1241.tbin
1242 121267 Molecular Library Screening Centre Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Kim Lewis, Northeastern University, Boston, MA MLSCN Grant: X01 MH080686-01 This screen is for compounds that are potentiators of the antifungal drug clotrimazole that are active against multidrug tolerant persister cells of Candida albicans biofilms. Biofilms are notoriously resistant to antimicrobial therapy, but the mechanism of resistance remains largely unknown. The recently charact... aid1242.table aid1242.tbin
1243 54 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA). Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: XO1 MH077632-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute This dose response assay is developed and performed for the purpose of confirming hits originally identified in Fluorescence Polarization Screen Assay for Bcl-B Phe... aid1243.table aid1243.tbin
1244 2 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA). Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: XO1 MH077632-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute This assay is a counter screen for compounds identified in the Bcl-B/FITC-TR3 fluorescence polarization assay (AID 1240). Bcl-B is an anti-apoptotic member ... aid1244.table aid1244.tbin
1245 2 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA). Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: XO1 MH077632-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute This assay is a counter screen for compounds identified in the Bcl-B/FITC-TR3 fluorescence polarization assay (AID 1240). Bcl-B is an anti-apoptotic member ... aid1245.table aid1245.tbin
1246 118107 Data Source: Columbia University Molecular Screening Center Source (MLSCN Center Name): Columbia University Molecular Screening Center Center Affiliation: Columbia University Molecular Screening Center Assay Provider: Thomas Mayer, Columbia University Molecular Screening Center Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1R03MH076509-01 TNFalpha induced E-Selectin HCS was developed and screened at the Columbia University Molecular Screening Center as part o... aid1246.table aid1246.tbin
1247 37 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: 1R03 DA024887-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute This dose response assay is developed and performed in the laboratory of the assay provider for the purpose of SAR study on analogs of benzodiazepine hits originally identif... aid1247.table aid1247.tbin
1248 10 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Hugh Rosen, TSRI Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1 R03 MH076533-01 Grant Proposal PI: Germana Sanna External Assay ID: S1P1_AG_BLA_384_EC50_Purchased_Analogues Name: Dose Response Cell-Based Assay for Agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1): Purchased Analogues De... aid1248.table aid1248.tbin
1249 695 Data Source: Columbia University Molecular Screening Center Source (MLSCN Center Name): Columbia University Molecular Screening Center Center Affiliation: Columbia University Molecular Screening Center Assay Provider: Thomas Mayer, Columbia University Molecular Screening Center Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1R03 MH076343-01 During inflammation, cytokine activation of the NFkB signaling pathway results in, among others, VCAM-1 (Vascular Cell Ad... aid1249.table aid1249.tbin
1250 658 Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening Centers Network (MLSCN) Assay Provider: Dr. Qianjun Li, Southern Research Institute Award: R03 MH081 271-01 Arthropod borne viruses (arboviruses) are important human and/or animal pathogens that cause acute virus infections with severe diseases and/or death. Several recent human and/or animal epidemics have been caused by arboviruses, including Dengu... aid1250.table aid1250.tbin
1251 195489 Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening Centers Network (MLSCN) Assay Provider: Dr. Qianjun Li, Southern Research Institute Award: R03 MH081 271-01 Arthropod borne viruses (arboviruses) are important human and/or animal pathogens that cause acute virus infections with severe diseases and/or death. Several recent human and/or animal epidemics have been caused by arboviruses, including Dengu... aid1251.table aid1251.tbin
1252 72 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Richard Morimoto, Northwestern University Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 5 R21 NS056337-02 Grant Proposal PI: Richard Morimoto External Assay ID:HSP70_AG_Lumi_1536_3X % Act Name: Dose response cell-based high-throughput screening assay to identify transcriptional activators of heat sho... aid1252.table aid1252.tbin
1253 186 Data Source: Columbia University Molecular Screening Center Source (MLSCN Center Name): Columbia University Molecular Screening Center Center Affiliation: Columbia University Molecular Screening Center Assay Provider: Drs. Tomas Mustelin and Lutz Tautz, Burnham Institute for Medical Research, La Jolla, CA Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: X01-MH077604-01 LYP, a lymphocyte specific protein tyrosine phosphatase that plays a critical regulatory role ... aid1253.table aid1253.tbin
1254 1195 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Claes Wahlestedt, TSRI Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number 1 R21 NS056950-01 Grant Proposal PI: Claes Wahlestedt External Assay ID: NPY-Y1_ANT_CNGC_1536_3X%INH Name: Cell-based high-throughput confirmation assay for antagonists of neuropeptide Y receptor Y1 (NPY-Y1) Description: Neuropeptide... aid1254.table aid1254.tbin
1255 1195 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Claes Wahlestedt, Scripps Florida Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number 1 R21 NS056950-01 Grant Proposal PI: Claes Wahlestedt External Assay ID: NPY-Y2_ANT_CNGC_1536_3X%INH (CS) Name: Counterscreen assay for antagonists of neuropeptide Y receptor Y1 (NPY-Y1): Cell-based high throughput assay to measure... aid1255.table aid1255.tbin
1256 707 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Claes Wahlestedt, Scripps Florida Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number 1 R21 NS056950-01 Grant Proposal PI: Claes Wahlestedt External Assay ID: NPY-Y1_ANT_CNGC_1536_3X%INH (CS) Name: Counterscreen assay for antagonists of neuropeptide Y receptor Y2 (NPY-Y2): Cell-based high throughput assay to measure... aid1256.table aid1256.tbin
1257 707 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Claes Wahlestedt, Scripps Florida Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number 1 R21 NS056950-01 Grant Proposal PI: Claes Wahlestedt External Assay ID: NPY-Y2_ANT_CNGC_1536_3X%INH Name: Cell-based high throughput confirmation assay for antagonists of neuropeptide Y receptor Y2 (NPY-Y2) Description: Neuropep... aid1257.table aid1257.tbin
1258 1122 Infection with Leishmania represents a major health concern in the developing world, with approximately 1.2 to 1.5 million cases reported annually and 350 million people (globally) at risk of infection. The limited number of available leishmaniasis treatments is complicated by (1) serious (toxic) side effects; and (2) an increase in chemoresistance. Therefore, the identification of new small molecules for the treatment of leishmaniasis is a critical. A simple, inexpensive and HTS amenable methodo... aid1258.table aid1258.tbin
1259 72 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Richard Morimoto, Northwestern University Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 5 R21 NS056337-02 Grant Proposal PI: Richard Morimoto External Assay ID: CYTOX_INH_LUMI_1536_CC50 Name: Cytotoxicity counterscreen assay for transcriptional activators of heat shock protein 70 (Hsp70) Description:... aid1259.table aid1259.tbin
1260 15 New Mexico Molecular Libraries Screening Center Screening Center PI: Larry A. Sklar, PhD Assay Provider/Institution: Todd A. Thompson, PhD/University of New Mexico Grant: NIH 1 X01 MH078937-01 Assay Implementation: Mark Haynes PhD, Mark Carter MS, Anna Waller PhD, Cristian Bologa PhD Background/Significance Prostate cancer contributes significantly to cancer-related deaths in the United States [Jemel et al, 2005]. Although there is no known etiology, prostatic adenocarcinomas likely develop fro... aid1260.table aid1260.tbin
1261 150 Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague remains a threat in many areas in the world. Outbreaks of hundreds of cases still occur in Asia, Africa and South America and, in the United States cases are reported sporadically, mainly because of people handling infected animals or by being bitten by infected wild rodent fleas (http://www.cdc.gov). YopH (Yersinia outer protein H) is a protein essenti... aid1261.table aid1261.tbin
1262 1246 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: David Frank Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1 X01 MH079826-01 Grant Proposal PI: David Frank External Assay ID: STAT1_POT_LUMI_1536_3X%ACT Name: Confirmation cell-based high throughput screening assay to measure STAT1 activation Description: The signal transducer and activator of tr... aid1262.table aid1262.tbin
1263 199 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: David Frank Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1 X01 MH079826-01 Grant Proposal PI: David Frank External Assay ID: STAT1_INH_LUMI_1536_3X%INH Name:Confirmation cell-based high throughput screening assay to measure STAT1 inhibition Description: The signal transducer and activator of... aid1263.table aid1263.tbin
1264 66 The PLK1 HTS assay was developed and run at the University of Pittsburgh Molecular Screening Center (PMLSC) as part of the Molecular Library Screening Center Network (MLSCN)(1 X01 MH76330). Polo-like kinase 1 (Plk1) is a serine-threonine protein kinase that functions as a key regulator of mitosis/meiosis and cytokinesis (Barr et al., 2004). Numerous research studies have demonstrated that Plk1 gene expression is frequently up regulated in human cancers and carcinoma-derived cell lines (Simizu a... aid1264.table aid1264.tbin
1265 1215 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: David Frank, Dana-Farber Cancer Institute Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1 X01 MH079826-01 Grant Proposal PI: David Frank External Assay ID: STAT3_INH_LUMI_1536_3X%INH Name: Confirmation cell-based high throughput screening assay to measure STAT3 inhibition Description: The sign... aid1265.table aid1265.tbin
1266 28 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: None Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute The goal of this assay along with other related ones is to identify compounds that selectively inhibit one of the several known pathways that lead to NF-kB activation in mammalian cell... aid1266.table aid1266.tbin
1267 1197 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: David Frank, Dana Farber Cancer Institute Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1 X01 MH079826-01 Grant Proposal PI: David Frank External Assay ID: STAT3_POT_LUC_1536_3X%ACT Name: Confirmation cell-based high throughput screening assay to measure STAT3 activation Description: The signal t... aid1267.table aid1267.tbin
1268 158 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Jeffery W Kelly, TSRI Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: MH078940-01 Grant Proposal PI: Jeffery W Kelly External Assay ID: Betaglucosidase_ACT_Fluor_384_EC50 Name: Dose response cell-based high throughput screening assay to identify enhancers of beta-glucosidase activity Description: Gauc... aid1268.table aid1268.tbin
1269 27 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: None Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute In vitro luciferase assay using purified luciferase was developed and performed to exclude the false positive hits which inhibit luciferase activity directly. The NIH library consisted... aid1269.table aid1269.tbin
1270 10 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: None Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute PMA/Ionomycin induced IL-8 production assay in HEK293 cells was developed and performed as an orthogonal assay to confirm the hits inhibiting antigen receptor induced NF-kB pathway. IL... aid1270.table aid1270.tbin
1271 1 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: None Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute Anti-cd3/cd28 induced IL-2 production assay in Jurkat T cells is developed and performed as an orthogonal assay to test whether compound SID 17450324 inhibits the antigen receptor induc... aid1271.table aid1271.tbin
1272 119 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Claes Wahlestedt, Scripps Florida Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number 1 R21 NS056950-01 Grant Proposal PI: Claes Wahlestedt External Assay ID: NPY-Y2_ANT_CNGC_1536_IC50 Name: Dose response cell-based screening assay for antagonists of neuropeptide Y receptor Y2 (NPY-Y2) Description: Neuropeptide... aid1272.table aid1272.tbin
1273 127982 Data Source: Columbia University Molecular Screening Center Source (MLSCN Center Name): Columbia University Molecular Screening Center Center Affiliation: Columbia University Molecular Screening Center Assay Provider: Fred Levine and Mark Mercola, The Burnham Institute at UCSD, La Jolla, CA Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: MH077630-01 The assay has been designed to screen for small molecule compounds that modulate insulin promoter activity (1). ... aid1273.table aid1273.tbin
1274 217639 NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory University MLSCN Grant: MH083234-01 Oxidative stress (the excess production of cellular oxidizing substances) is a central component in many diseases. Reactive oxygen species (ROS) produce oxidative stress that plays a central role in inflammation in general, and in the tissue damage and abnormal cell growth and fibrosis associated with many diseases. ROS-... aid1274.table aid1274.tbin
1275 1027 NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory University MLSCN Grant: MH083234-01 Oxidative stress (the excess production of cellular oxidizing substances) is a central component in many diseases. Reactive oxygen species (ROS) produce oxidative stress that plays a central role in inflammation in general, and in the tissue damage and abnormal cell growth and fibrosis associated with many diseases. ROS-... aid1275.table aid1275.tbin
1276 193457 Data Source: Columbia University Molecular Screening Center Source (MLSCN Center Name): Columbia University Molecular Screening Center Center Affiliation: Columbia University Molecular Screening Center Assay Provider: Jack T. Rogers Genetics and Ageing Research Unit; Psychiatry Department, Massachusetts General Hospital, Boston. Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: MH079854-01 Novel reagents that inhibit the Amyloid Precursor Protein (APP) translatio... aid1276.table aid1276.tbin
1277 63 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Claes Wahlestedt, Scripps Florida Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number 1 R21 NS056950-01 Grant Proposal PI: Claes Wahlestedt External Assay ID: NPY-Y1_ANT_CNGC_1536_IC50 Name: Dose response cell-based screening assay for antagonists of neuropeptide Y receptor Y1 (NPY-Y1) Description: Neuropeptide ... aid1277.table aid1277.tbin
1278 63 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Claes Wahlestedt, Scripps Florida Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number 1 R21 NS056950-01 Grant Proposal PI: Claes Wahlestedt External Assay ID: NPY-Y2_ANT_CNGC_1536_IC50 (CS) Name: Dose response counterscreen assay for neuropeptide Y receptor Y1 (NPY-Y1): Cell-based high throughput assay to measure ... aid1278.table aid1278.tbin
1279 119 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Claes Wahlestedt, Scripps Florida Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number 1 R21 NS056950-01 Grant Proposal PI: Claes Wahlestedt External Assay ID: NPY-Y1_ANT_CNGC_1536_IC50 (CS) Name: Dose response counterscreen for neuropeptide Y receptor Y2 (NPY-Y2): Cell-based high throughput assay to measure NPY-Y1... aid1279.table aid1279.tbin
1280 1 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: None Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute Description: the purpose of in vitro kinase assay is to test if the compound SID 17450324 is a direct inhibitor of PKC-beta. SID 17450324 was identified in earlier assays, 1266, 1269, 1... aid1280.table aid1280.tbin
1281 1 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: None Phorbol dibutryate(PDBu) induced IL-8 production in HEK293-NF-kB-luc stable cells is developed and performed for the purpose of confirming compound SID 17450324 as a possible candidate to selectively inhibit NF-kB activation. Compound SID 17450325 was identifi... aid1281.table aid1281.tbin
1282 1 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: None Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute The purpose of this vitro kinase assay is to test if the compound SID 17450324 is a direct inhibitor of IKK-beta. SID 17450324 was identified in earlier assays, 1266, 1269, 1270, 1287 ... aid1282.table aid1282.tbin
1283 1 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: None Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute the purpose of in vitro kinase assay is to test if the compound SID 17450324 is a direct inhibitor of PKC-theta. SID 17450324 was identified in earlier assays, 1266, 1269, 1270, 1287 a... aid1283.table aid1283.tbin
1284 362 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Scripps Florida Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number ML00111 Grant Proposal PI: Philip LoGrasso External Assay ID: JNK3_INH_TR-FRET_1536_IC50 Name: Dose response biochemical screening assay for inhibitors of c-Jun N-Terminal Kinase 3 (JNK3) Description: The c-Jun N-Terminal Kinases (JNK) are member... aid1284.table aid1284.tbin
1285 193771 Data Source: Columbia University Molecular Screening Center Source (MLSCN Center Name): Columbia University Molecular Screening Center Center Affiliation: Columbia University Molecular Screening Center Assay Provider: Jack T. Rogers Genetics and Ageing Research Unit; Psychiatry Department, Massachusetts General Hospital, Boston. Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: MH079854-01 Novel reagents that inhibit the Amyloid Precursor Protein (APP) translatio... aid1285.table aid1285.tbin
1286 86 The PKD HTS assay was developed and run at the University of Pittsburgh Molecular Screening Center (PMLSC) as part of the Molecular Library Screening Center Network (MLSCN)(1R03DA24898-01). Protein kinase D (PKD) is a novel family of serine/threonine kinases targeted by diacylglycerol. It regulates many fundamental cell functions including cell proliferation, survival, differentiation and protein trafficking, and plays important roles in pathological conditions such as cardiac hypertrophy and c... aid1286.table aid1286.tbin
1287 17 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: None Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute Different from that of PMA/Ionomycin which activates NF-kB via PKC, TNF induced NF-kB activation is through the TNF-receptor, TRADD and TRAF (Hsu, 1995). To exclude the hits which may a... aid1287.table aid1287.tbin
1288 773 Data Source: Columbia University Molecular Screening Center Source (MLSCN Center Name): Columbia University Molecular Screening Center Center Affiliation: Columbia University Molecular Screening Center Assay Provider: Thomas Mayer, Columbia University Molecular Screening Center Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1R03MH076509-01 E Selectin HCS was developed and screened at the Columbia University Molecular Screening Center as part of the Molecular S... aid1288.table aid1288.tbin
1289 1 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: None Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute CD40 overexpresssion induced NF-kB luciferase in HEK293-NF-kB-Luc stable cells is developed and performed to test whether the compound SID 17450324 inhibits CD40 induced NF-kB pathway. ... aid1289.table aid1289.tbin
1290 1 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: None Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute NOD1 overexpresssion induced NF-kB luciferase in 293-NF-kB-Luc stable cells is developed and performed to test whether compound SID 17450324 inhibits NOD1 induced NF-kB pathway. SID 17... aid1290.table aid1290.tbin
1291 1 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: None Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute Doxorubincin induced NF-kB luciferase in HEK 293-NF-kB-Luc stable cells is developed and performed to test whether the compound SID 17450324 inhibits DNA damage induced NF-kB pathway. ... aid1291.table aid1291.tbin
1292 1 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: None Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute Retinoic acid induced NF-kB luciferase in HEK293-NF-kB-Luc stable cells is developed and performed to test whether the compound SID 17450324 inhibits RIG1 induced NF-kB pathway. SID 17... aid1292.table aid1292.tbin
1293 1 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: None Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute NOD2 overexpresssion induced NF-kB luciferase in 293-NF-kB-Luc stable cells is developed and performed to test whether compound SID 17450324 inhibits NOD2 induced NF-kB pathway. SID 17... aid1293.table aid1293.tbin
1294 1 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: None Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute CD4-TLR4 overexpresssion induced NF-kB luciferase in 293-NF-kB-Luc stable cells is developed and performed to test whether the compound SID 17450324 inhibits TLR4 induced NF-kB pathway.... aid1294.table aid1294.tbin
1295 1 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: None Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute PMA/Ionomycin-stimulated NF-kB DNA-binding activity assay was developed and performed to test whether the compound SID 17450324 affects PMA/Ionomycin induced NF-kB-DNA binding. SID 174... aid1295.table aid1295.tbin
1296 128716 Data Source: Columbia University Molecular Screening Center Source (MLSCN Center Name): Columbia University Molecular Screening Center Center Affiliation: Columbia University Molecular Screening Center Assay Provider: Fred Levine and Mark Mercola, The Burnham Institute at UCSD, La Jolla, CA Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: MH077630-01 The assay has been designed to screen for small molecule compounds that modulate insulin promoter activity (1). ... aid1296.table aid1296.tbin
1297 794 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Pat Griffin, TSRI Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1 X01 MH079861-01 Grant Proposal PI: Pat Griffin, TSRI External Assay ID: PPARgSRC2_AG_TRFRET_1536_%ACT Name: Pimary biochemical High Throughput Screening assay for agonists of the steroid receptor coactivator 2 (SRC-2) recruitment by th... aid1297.table aid1297.tbin
1298 9532 Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening Centers Network (MLSCN) Assay Provider: Dr. Eric Weiss, Northwestern University Award: 1R21NS056968-01 A screen for inhibitors of the budding yeast RAM network using a sensitized drug exporter inhibited strain. The RAM network is a novel and highly conserved signaling pathway involved in maintenance of polarized growth, cell proliferation, and contr... aid1298.table aid1298.tbin
1299 1 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: None Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute The cytotoxicity assay in different cell types was developed and performed to test the effect of compound SID 17450324 on cell viability in THP.1 cells. SID 17450324 was identified in ... aid1299.table aid1299.tbin
1300 794 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Pat Griffin, TSRI Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1 X01 MH079861-01 Grant Proposal PI: Hugh Rosen, TSRI External Assay ID: PPARgSRC1_AG_TRFRET_1536_3X%ACT Name: Confirmation biochemical High Throughput Screening assay for agonists of the steroid receptor coactivator 1 (SRC-1) recruitment... aid1300.table aid1300.tbin
1301 794 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Scripps Florida Network: Molecular Library Screening Center Network (MLSCN) Proposal Number: 1 X01 MH079861-01 http://molscreen.florida.scripps.edu/ External Assay ID: PPARgSRC3_AG_TRFRET_1536_3X%ACT Name: Confirmation biochemical High Throughput Screening assay for agonists of the steroid receptor coactivator 3 (SRC-3) recruitment by th... aid1301.table aid1301.tbin
1302 1 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: None Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute The cytotoxicity assay in different cell types was developed and performed to test the effect of compound SID 17450324 on cell viability in HeLa cells. SID 17450324 was identified in e... aid1302.table aid1302.tbin
1303 199 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Prem Subramaniam, The Scripps Research Institute Molecular Screening Center (SRIMSC) Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1 X01 MH079826-01 Grant Proposal PI: David Frank http://molscreen.florida.scripps.edu/ External Assay ID: NFkB_INH_LUMI_1536_3X%INH (STAT1CS) Name: Counterscreen assay for... aid1303.table aid1303.tbin
1304 218117 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Claes Wahlestedt, TSRI Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number 1 R21 NS056950-01 Grant Proposal PI: Claes Wahlestedt External Assay ID: NPY-Y1_POT_CNGC_1536_%ACT Name: Primary cell-based high-throughput screening assay for potentiators or agonists of NPY-Y1 Description: Neuropeptide Y (NPY) is ... aid1304.table aid1304.tbin
1305 1244 Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening Centers Network (MLSCN) Assay Provider: Dr. Eric Weiss, Northwestern University Award: 1R21NS056968-01 A screen for inhibitors of the budding yeast RAM network - Dose response with drug exporter sensitized control strain. The RAM network is a novel and highly conserved signaling pathway involved in maintenance of polarized growth, cell proliferatio... aid1305.table aid1305.tbin
1306 1246 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI)http://molscreen.florida.scripps.edu/ Assay Provider: Prem Subramaniam, The Scripps Research Institute Molecular Screening Center (SRIMSC) Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1 X01 MH079826-01 Grant Proposal PI: David Frank External Assay ID: NFkB_ ACT _LUMI_1536_3X%INH (STAT1CS) Name: Counterscreen assay f... aid1306.table aid1306.tbin
1307 1244 Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening Centers Network (MLSCN) Assay Provider: Dr. Eric Weiss, Northwestern University Award: 1R21NS056968-01 A screen for inhibitors of the budding yeast RAM network - Dose response. The RAM network is a novel and highly conserved signaling pathway involved in maintenance of polarized growth, cell proliferation, and control of gene expression. The pathway... aid1307.table aid1307.tbin
1308 1215 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) http://molscreen.florida.scripps.edu Assay Provider: Prem Subramaniam, The Scripps Research Institute Molecular Screening Center (SRIMSC) Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1 X01 MH079826-01 Grant Proposal PI: David Frank External Assay ID: NFkB_INH_LUMI_1536_3X%INH (STAT3CS) Name: Counterscreen assay for ... aid1308.table aid1308.tbin
1309 1197 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Prem Subramaniam, The Scripps Research Institute Molecular Screening Center (SRIMSC) Network: Molecular Library Screening Center Network (MLSCN) http://molscreen.florida.scripps.edu/ Grant Proposal Number: 1 X01 MH079826-01 Grant Proposal PI: David Frank External Assay ID: NFkB _ACT_LUMI_1536_3X%INH (STAT3 CS) Name: Counterscreen assay f... aid1309.table aid1309.tbin
1310 199 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) http://molscreen.florida.scripps.edu/ Assay Provider: David Frank Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1 X01 MH079826-01 Grant Proposal PI: David Frank External Assay ID: STAT3_INH_LUMI_1536_3X%INH (CSRUN) Name: Counterscreen assay for STAT1 inhibitors: Cell-based high throughput assay to measure STAT3 inhib... aid1310.table aid1310.tbin
1311 3 University of New Mexico Assay Overview: Assay Support: NIH 1 X01 MH077613-01 Assay for disassembly of the 26S Proteasome PI: Dorota Skowyra, PhD Assay implementation: Chris Allen PhD, Peter Simons PhD, Anna Waller PhD, MaryAnn Osley PhD Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) Assay Background and Significance: The 26S proteasome in a highly conserved ATP-dependent protease that plays a central role in the control of protein stability in all eukaryotic cells. It is... aid1311.table aid1311.tbin
1312 3 University of New Mexico Assay Overview: Assay Support: NIH 1 X01 MH077613-01 Assay for disassembly of the 26S Proteasome PI: Dorota Skowyra, PhD Assay implementation: Chris Allen PhD, Peter Simons PhD, Anna Waller PhD, MaryAnn Osley PhD Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) Assay Background and Significance: The 26S proteasome in a highly conserved ATP-dependent protease that plays a central role in the control of protein stability in all eukaryotic cells. It is... aid1312.table aid1312.tbin
1313 3 University of New Mexico Assay Overview: Assay Support: NIH 1 X01 MH077613-01 Assay for disassembly of the 26S Proteasome PI: Dorota Skowyra, PhD Assay implementation: Chris Allen PhD, Peter Simons PhD, Anna Waller PhD, MaryAnn Osley PhD Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) Assay Background and Significance: The 26S proteasome in a highly conserved ATP-dependent protease that plays a central role in the control of protein stability in all eukaryotic cells. It is... aid1313.table aid1313.tbin
1314 3 University of New Mexico Assay Overview: Assay Support: NIH 1 X01 MH077613-01 Assay for disassembly of the 26S Proteasome PI: Dorota Skowyra, PhD Assay implementation: Chris Allen PhD, Peter Simons PhD, Anna Waller PhD, MaryAnn Osley PhD Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) Assay Background and Significance: The 26S proteasome in a highly conserved ATP-dependent protease that plays a central role in the control of protein stability in all eukaryotic cells. It is... aid1314.table aid1314.tbin
1315 86 The PKD HTS assay was developed and run at the University of Pittsburgh Molecular Screening Center (PMLSC) as part of the Molecular Library Screening Center Network (MLSCN)(1R03DA24898-01). Protein kinase D (PKD) is a novel family of serine/threonine kinases targeted by diacylglycerol. It regulates many fundamental cell functions including cell proliferation, survival, differentiation and protein trafficking, and plays important roles in pathological conditions such as cardiac hypertrophy and c... aid1315.table aid1315.tbin
1316 1246 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) http://molscreen.florida.scripps.edu/ Assay Provider: David Frank Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1 X01 MH079826-01 Grant Proposal PI: David Frank External Assay ID: STAT3_ACT_LUMI_1536_3X%INH (CSRUN) Name: Counterscreen assay for STAT1 activators: Cell-based high throughput assay to measure STAT3 activ... aid1316.table aid1316.tbin
1317 1215 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) http://molscreen.florida.scripps.edu/ Assay Provider: David Frank, Dana-Farber Cancer Institute Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1 X01 MH079826-01 Grant Proposal PI: David Frank External Assay ID: STAT1_INH_LUMI_1536_3X%INH (CSRUN) Name: Counterscreen assay for STAT3 inhibitors: Cell-based high throughpu... aid1317.table aid1317.tbin
1318 1197 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) http://molscreen.florida.scripps.edu/ Assay Provider: David Frank, Dana-Farber Cancer Institute Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1 X01 MH079826-01 Grant Proposal PI: David Frank External Assay ID: STAT1_ACT_LUMI_1536_3X%INH (CSRUN) Name: Counterscreen assay for STAT3 activators: Cell-based high throughpu... aid1318.table aid1318.tbin
1319 349 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Pat Griffin, TSRI Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1 X01 MH079861-01 Grant Proposal PI: Patrick Griffin, Scripps Florida External Assay ID: PPARgSRC1_AG_TRFRET_1536_EC50 Name: Dose response biochemical High Throughput Screening assay for agonists of the steroid receptor coactivator 1 (SR... aid1319.table aid1319.tbin
1320 834 University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein interactions PI: Larry Sklar, Ph.D. Assay Implementatiion: Peter Simons Ph.D, Susan Young MS, Anna Waller Ph.D, Mark Carter MS Dose Response Assay Background and Significance: One arm of apoptosis is regulated by the balance of anti-apoptotic and pro-apoptotic Bcl-2 family members. In humans, six genes have been identified that encode anti-apoptoti... aid1320.table aid1320.tbin
1321 218117 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Nagi Ayad, TSRI Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1R21NS056991-01 Grant Proposal PI: Nagi Ayad, TSRI External Assay ID: Wee1_INH_LUMI_1536_%ACT Name: Primary Cell-based High Throughput Screening Assay for Inhibitors of Wee1 Degradation Description: The Cdc2/cyclinB protein complex plays ... aid1321.table aid1321.tbin
1322 834 University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein interactions PI: Larry Sklar, Ph.D. Assay Implementatiion: Peter Simons Ph.D, Susan Young MS, Anna Waller Ph.D, Mark Carter MS Dose Response Assay Background and Significance: One arm of apoptosis is regulated by the balance of anti-apoptotic and pro-apoptotic Bcl-2 family members. In humans, six genes have been identified that encode anti-apoptoti... aid1322.table aid1322.tbin
1323 349 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Pat Griffin, TSRI Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1 X01 MH079861-01 Grant Proposal PI: Pat Griffin, TSRI External Assay ID: PPARgSRC2_AG_TRFRET_1536_EC50 Name: Dose response biochemical High Throughput Screening assay for agonists of the steroid receptor coactivator 2 (SRC-2) recruitmen... aid1323.table aid1323.tbin
1324 834 University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein interactions PI: Larry Sklar, Ph.D. Assay Implementatiion: Peter Simons Ph.D, Susan Young MS, Anna Waller Ph.D, Mark Carter MS Profiling Assay Background and Significance: One arm of apoptosis is regulated by the balance of anti-apoptotic and pro-apoptotic Bcl-2 family members. In humans, six genes have been identified that encode anti-apoptotic pro... aid1324.table aid1324.tbin
1325 194480 University of New Mexico Assay Overview: Assay Support: 1R03MH081228-01A1 High-throughput multiplex screening for ABC transporter inhibitors PI: Richard Larson MD, PhD Assay Development: Irena Ivnitski-Steele PhD Assay Implementation: Irena Ivnitski-Steele PhD, Terry Foutz, Anna Waller PhD, Mark Carter Target Team Leader for the Center: Bruce Edwards, PhD (BEdwards@salud.unm.edu Assay Background and Significance: The three major types of multidrug resistance (MDR) proteins in humans includ... aid1325.table aid1325.tbin
1326 193717 University of New Mexico Assay Overview: Assay Support: 1R03MH081228-01A1 High-throughput multiplex screening for ABC transporter inhibitors PI: Richard Larson MD, PhD Assay Development: Irena Ivnitski-Steele PhD Assay Implementation: Irena Ivnitski-Steele PhD, Terry Foutz, Anna Waller PhD, Mark Carter Target Team Leader for the Center: Bruce Edwards, PhD (BEdwards@salud.unm.edu Assay Background and Significance: The three major types of multidrug resistance (MDR) proteins in humans includ... aid1326.table aid1326.tbin
1327 834 University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein interactions PI: Larry Sklar, Ph.D. Assay Implementatiion: Peter Simons Ph.D, Susan Young MS, Anna Waller Ph.D, Mark Carter MS Dose Response Assay Background and Significance: One arm of apoptosis is regulated by the balance of anti-apoptotic and pro-apoptotic Bcl-2 family members. In humans, six genes have been identified that encode anti-apoptoti... aid1327.table aid1327.tbin
1328 834 University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein interactions PI: Larry Sklar, Ph.D. Assay Implementatiion: Peter Simons Ph.D, Susan Young MS, Anna Waller Ph.D, Mark Carter MS Dose Response Assay Background and Significance: One arm of apoptosis is regulated by the balance of anti-apoptotic and pro-apoptotic Bcl-2 family members. In humans, six genes have been identified that encode anti-apoptotic... aid1328.table aid1328.tbin
1329 834 University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein interactions PI: Larry Sklar, Ph.D. Assay Implementatiion: Peter Simons Ph.D, Susan Young MS, Anna Waller Ph.D, Mark Carter MS Dose Response Assay Background and Significance: One arm of apoptosis is regulated by the balance of anti-apoptotic and pro-apoptotic Bcl-2 family members. In humans, six genes have been identified that encode anti-apoptoti... aid1329.table aid1329.tbin
1330 834 University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein interactions PI: Larry Sklar, Ph.D. Assay Implementatiion: Peter Simons Ph.D, Susan Young MS, Anna Waller Ph.D, Mark Carter MS Dose Response Assay Background and Significance: One arm of apoptosis is regulated by the balance of anti-apoptotic and pro-apoptotic Bcl-2 family members. In humans, six genes have been identified that encode anti-apoptoti... aid1330.table aid1330.tbin
1331 349 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center http://molscreen.florida.scripps.edu/ Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Pat Griffin, TSRI Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1 X01 MH079861-01 Grant Proposal PI: Pat Griffin, TSRI External Assay ID: PPARgSRC3_AG_TRFRET_1536_EC50 Name: Dose response biochemical High Throughput Screening assay for agonists of the steroid rec... aid1331.table aid1331.tbin
1332 1118 Southern Research Institute (Birmingham, Alabama) Award: N01 AI 15449 "Microbiological Drug Screening" E. Lucile White, P.I. Mycobacterium tuberculosis (Mtb) is a notorious pathogen whose increasing resistance to antibiotics and heightened lethality in combination with AIDS makes it a major health concern worldwide. The World Health Organization (WHO) estimates that one-third of the world's population is infected with Mtb; eight million people worldwide develop tuberculosis annually while nearly... aid1332.table aid1332.tbin
1333 1269 University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) Dose Response Assay Background and Significance: Ras and related small mo... aid1333.table aid1333.tbin
1334 1270 University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) Dose Response Assay Background and Significance: Ras and related small mo... aid1334.table aid1334.tbin
1335 1270 University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) Dose Response Assay Background and Significance: Ras and related small mo... aid1335.table aid1335.tbin
1336 1270 University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) Dose Response Assay Background and Significance: Ras and related small mo... aid1336.table aid1336.tbin
1337 1270 University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) Dose Response Assay Background and Significance: Ras and related small mo... aid1337.table aid1337.tbin
1338 12 Data Source: Columbia University Molecular Screening Center Source (MLSCN Center Name): Columbia University Molecular Screening Center Center Affiliation: Columbia University Molecular Screening Center Assay Provider: Drs. Tomas Mustelin and Lutz Tautz, Burnham Institute for Medical Research, La Jolla, CA Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: X01-MH077604-01 LYP, a lymphocyte specific protein tyrosine phosphatase that plays a critical regulatory role... aid1338.table aid1338.tbin
1339 1289 University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) Dose Response Assay Background and Significance: Ras and related small mo... aid1339.table aid1339.tbin
1340 1289 University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) Dose Response Assay Background and Significance: Ras and related small mo... aid1340.table aid1340.tbin
1341 1270 University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) Dose Response Assay Background and Significance: Ras and related small mo... aid1341.table aid1341.tbin
1342 18 The PKD HTS assay was developed and run at the University of Pittsburgh Molecular Screening Center (PMLSC) as part of the Molecular Library Screening Center Network (MLSCN)(1R03DA24898-01). Protein kinase D (PKD) is a novel family of serine/threonine kinases targeted by diacylglycerol. It regulates many fundamental cell functions including cell proliferation, survival, differentiation and protein trafficking, and plays important roles in pathological conditions such as cardiac hypertrophy and c... aid1342.table aid1342.tbin
1343 11 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Proposal Number: 1R03DA024887-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute ER stress is a cellular response initiated by unfolded protein accumulation in the Endoplasmic Reticulum (ER). Prolonged ER stress induces cell death with a form of a... aid1343.table aid1343.tbin
1344 11 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Proposal Number: 1R03DA024887-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute ER stress is a cellular response initiated by unfolded protein accumulation in the Endoplasmic Reticulum (ER). Prolonged ER stress induces cell death with a form of... aid1344.table aid1344.tbin
1345 11 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Proposal Number: 1R03DA024887-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute ER stress is a cellular response initiated by unfolded protein accumulation in the Endoplasmic Reticulum (ER). Prolonged ER stress induces cell death with a form of a... aid1345.table aid1345.tbin
1346 11 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Proposal Number: 1R03DA024887-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute ER stress is a cellular response initiated by unfolded protein accumulation in the Endoplasmic Reticulum (ER). Prolonged ER stress induces cell death with a form of ... aid1346.table aid1346.tbin
1347 11 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Proposal Number: 1R03DA024887-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute ER stress is a cellular response initiated by unfolded protein accumulation in the Endoplasmic Reticulum (ER). Prolonged ER stress induces cell death with a form of a... aid1347.table aid1347.tbin
1348 11 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Proposal Number: 1R03DA024887-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute ER stress is a cellular response initiated by unfolded protein accumulation in the Endoplasmic Reticulum (ER). Prolonged ER stress induces cell death with a form of a... aid1348.table aid1348.tbin
1349 11 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Proposal Number: 1R03DA024887-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute ER stress is a cellular response initiated by unfolded protein accumulation in the Endoplasmic Reticulum (ER). Prolonged ER stress induces cell death with a form of a... aid1349.table aid1349.tbin
1350 11 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Proposal Number: 1R03DA024887-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute ER stress is a cellular response initiated by unfolded protein accumulation in the Endoplasmic Reticulum (ER). Prolonged ER stress induces cell death with a form of a... aid1350.table aid1350.tbin
1351 11 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Proposal Number: 1R03DA024887-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute ER stress is a cellular response initiated by unfolded protein accumulation in the Endoplasmic Reticulum (ER). Prolonged ER stress induces cell death with a form of a... aid1351.table aid1351.tbin
1352 11 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Proposal Number: 1R03DA024887-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute ER stress is a cellular response initiated by unfolded protein accumulation in the Endoplasmic Reticulum (ER). Prolonged ER stress induces cell death with a form of ... aid1352.table aid1352.tbin
1353 11 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Proposal Number: 1R03DA024887-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute ER stress is a cellular response initiated by unfolded protein accumulation in the Endoplasmic Reticulum (ER). Prolonged ER stress induces cell death with a form of ... aid1353.table aid1353.tbin
1354 11 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Proposal Number: 1R03DA024887-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute ER stress is a cellular response initiated by unfolded protein accumulation in the Endoplasmic Reticulum (ER). Prolonged ER stress induces cell death with a form of a... aid1354.table aid1354.tbin
1355 11 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Proposal Number: 1R03DA024887-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute ER stress is a cellular response initiated by unfolded protein accumulation in the Endoplasmic Reticulum (ER). Prolonged ER stress induces cell death with a form of a... aid1355.table aid1355.tbin
1356 11 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Proposal Number: 1R03DA024887-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute ER stress is a cellular response initiated by unfolded protein accumulation in the Endoplasmic Reticulum (ER). Prolonged ER stress induces cell death with a form of ... aid1356.table aid1356.tbin
1357 11 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Proposal Number: 1R03DA024887-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute ER stress is a cellular response initiated by unfolded protein accumulation in the Endoplasmic Reticulum (ER). Prolonged ER stress induces cell death with a form of a... aid1357.table aid1357.tbin
1358 11 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Proposal Number: 1R03DA024887-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute ER stress is a cellular response initiated by unfolded protein accumulation in the Endoplasmic Reticulum (ER). Prolonged ER stress induces cell death with a form of a... aid1358.table aid1358.tbin
1359 218117 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center(SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Patricia McDonald, Scripps Florida Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number 1 R21 NS056950-01 Grant Proposal PI: Claes Wahlestedt External Assay ID: NPY-Y2_POT_CNGC_1536_%ACT Name: Primary cell-based high-throughput screening assay for potentiators or agonists of NPY-Y2 Descript... aid1359.table aid1359.tbin
1360 11 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Proposal Number: 1R03DA024887-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute ER stress is a cellular response initiated by unfolded protein accumulation in the Endoplasmic Reticulum (ER). Prolonged ER stress induces cell death with a form of ... aid1360.table aid1360.tbin
1361 1146 Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening Centers Network (MLSCN) Assay Provider: Dr. Jodi M. Nunnari, University of California, Davis Award: R03 MH081279-01 Screening for compounds that inhibit mitochondrial fusion using a yeast model system as a primary screening tool - confirmatory screen. Mitochondria are essential, double-membraned organelles that perform a myriad of tasks within cell... aid1361.table aid1361.tbin
1362 194235 Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening Centers Network (MLSCN) Assay Provider: Dr. Jodi M. Nunnari, University of California, Davis Award: R03 MH081279-01 Screening for compounds that inhibit mitochondrial fusion using a yeast model system as a primary screening tool Mitochondria are essential, double-membraned organelles that perform a myriad of tasks within cells. Unlike their bacteri... aid1362.table aid1362.tbin
1363 2 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Germana Sanna, TSRI Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1 R03 MH076533-01 Grant Proposal PI: Germana Sanna External Assay ID: S1P1_ANT_RAD_96_IC50 Name: Cell-membrane dose response assay to identify antagonists of the Sphingosine 1-Phosphate receptor 1 (S1P1) Description: Sphingosine 1-phos... aid1363.table aid1363.tbin
1364 1 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: None Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute Anti-cd3/cd28 induced T cell proliferation of mouse primary lymphocytes was developed and performed to test whether the compound SID 17450324 inhibits primary T cell proliferation. SID ... aid1364.table aid1364.tbin
1365 1 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: None Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute An anti-IgM induced B cell proliferation of mouse primary lymphocytes assay was developed and performed to test whether the compound SID 17450324 inhibits primary B cell proliferation. ... aid1365.table aid1365.tbin
1366 1 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: None Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute PMA/Ionomycin induced NF-kB luciferase in MCF7 cells is developed and performed to test whether the compound SID 17450324 inhibits PMA/Ionomycin induced NF-kB in other cell types. SID 1... aid1366.table aid1366.tbin
1367 1 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: None Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute The cytotoxicity assay in different cell types was developed and performed to test the effect of compound SID 17450324 on cell viability in Jurkat T cells. SID 17450324 was identified i... aid1367.table aid1367.tbin
1368 27 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: None Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute A cytotoxicity assay in different cell types was developed and performed to test the effect of the compounds on cell viability. A total of 27 compounds were tested in this assay in HEK2... aid1368.table aid1368.tbin
1369 1 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: None Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute LPS-induced NF-kB assay in THP.1 cells was developed and performed to test whether the hit SID 17450324 inhibits LPS induced NF-kB pathway. Lipopolysaccharide (LPS) induced Toll-like re... aid1369.table aid1369.tbin
1370 1 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: None Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute GM-Tri-DAP induced IL-8 production assay in MCF-7 cells is developed and performed to test if the hit SID 17450324 affects NOD1 induced NF-kB pathway. SID 17450324 was identified in ea... aid1370.table aid1370.tbin
1371 1 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: None Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute A PMA/Ionomycin induced NF-kB luciferase in HEK293T cells assay is developed and performed to test whether the compound SID 17450324 inhibits PMA/Ionomycin induced NF-kB in HEK293T cell... aid1371.table aid1371.tbin
1372 1 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: None Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute A cytotoxicity assay for different cell types was developed and performed to test the effect of compound SID 17450324 on cell viability in HEK293T cells. SID 17450324 was identified in... aid1372.table aid1372.tbin
1373 1 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: None Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute A cytotoxicity assay in different cell types was developed used to test the effect of compound SID 17450324 on cell viability in MCF7 cells. SID 17450324 was identified in earlier assa... aid1373.table aid1373.tbin
1374 1 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: None Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute PMA/Ionomycin induced NF-kB luciferase in HeLa cells is developed and performed to test whether the compound SID 17450324 inhibits PMA/Ionomycin induced NF-kB in other cell types. SID ... aid1374.table aid1374.tbin
1375 1 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: None Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute PMA/Ionomycin induced NF-kB luciferase in PPC-1 cells is developed and performed to test whether compound SID 17450324 inhibits PMA/Ionomycin induced NF-kB in other cell types. SID 174... aid1375.table aid1375.tbin
1376 216162 Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening Centers Network (MLSCN) Assay Provider: Dr. Michael McNeil, Colorado State University, Fort Collins, CO Mycobacterial Glucosamine-1-phosphate acetyl transferase GlmU) is a bi-functional enzyme involved in peptidoglycan synthesis by converting glucosamine-1-phosphate to UDP-N- acetylglucosamine in two distinct steps. The first step catalyzes the... aid1376.table aid1376.tbin
1377 217210 A HTS to identify inhibitors of zVAD Induced Cell Death in L929 Cells performed by the PMLSC in the University of Pittsburgh Drug Discovery Institute. Excerpts from the MH81266 Application - Dr. Junying Yuan, Harvard University. Necrosis in physiological and pathological conditions. Necrosis is a caspase-independent cell death marked by a rapid loss of plasma membrane integrity, organelle swelling and mitochondrial dysfunction, and lacking typical features of apoptosis such as internucleosomal DN... aid1377.table aid1377.tbin
1378 18 The PKD HTS assay was developed and run at the University of Pittsburgh Molecular Screening Center (PMLSC) as part of the Molecular Library Screening Center Network (MLSCN)(1R03DA24898-01). Protein kinase D (PKD) is a novel family of serine/threonine kinases targeted by diacylglycerol. It regulates many fundamental cell functions including cell proliferation, survival, differentiation and protein trafficking, and plays important roles in pathological conditions such as cardiac hypertrophy and c... aid1378.table aid1378.tbin
1379 201160 NCGC Assay Overview: NIH Molecular Libraries Screening Centers Network [MLSCN] NIH Chemical Genomics Center [NCGC] MLSCN Grant: None Luciferase (Kinase-Glo, Promega Corporation) was assayed for its ability to generate light using ATP and luciferin as substrates. The ATP concentration in the assay (10 uM) was within the linear range of enzyme activity for the assay conditions used. aid1379.table aid1379.tbin
1380 18 The PKD HTS assay was developed and run at the University of Pittsburgh Molecular Screening Center (PMLSC) as part of the Molecular Library Screening Center Network (MLSCN)(1R03DA24898-01). Protein kinase D (PKD) is a novel family of serine/threonine kinases targeted by diacylglycerol. It regulates many fundamental cell functions including cell proliferation, survival, differentiation and protein trafficking, and plays important roles in pathological conditions such as cardiac hypertrophy and c... aid1380.table aid1380.tbin
1381 220015 Excerpts from the R21NS057026 Application - Dr. Billy Day University of Pittsburgh. Cytoplasmic dynein is the molecular motor that carries cargo to the minus ends of microtubules (MTs) (e.g., from the cytoplasm to the nucleus), and provides the mechancial force for many other important fuctions, including nuclear envelope breakdown and sister chromatid exchange at mitosis. Unlike the numerous MT plus end-directed molecular motors, the kinesins, no specific small molecule inhibitors of dynein are... aid1381.table aid1381.tbin
1382 24 NCGC Assay Overview: NIH Molecular Libraries Screening Centers Network [MLSCN] NIH Chemical Genomics Center [NCGC] MLSCN Grant: XO1-MH078932-01 Beta-glucocerebrosidase catalyzes the hydrolysis of beta-glucocerebroside to glucose and ceramide. The inherited deficiency of beta-glucocerebrosidase results in Gaucher disease, which is characterized by a wide variety of symptoms including hepatosplenomegaly, anemia, thrombocytopenia, bony lesions and bone marrow infiltration with characteristic stora... aid1382.table aid1382.tbin
1383 12 The PKD HTS assay was developed and run at the University of Pittsburgh Molecular Screening Center (PMLSC) as part of the Molecular Library Screening Center Network (MLSCN)(1R03DA24898-01). Protein kinase D (PKD) is a novel family of serine/threonine kinases targeted by diacylglycerol. It regulates many fundamental cell functions including cell proliferation, survival, differentiation and protein trafficking, and plays important roles in pathological conditions such as cardiac hypertrophy and c... aid1383.table aid1383.tbin
1384 1 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: None Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute One of the cellular pathways leading to activation of NF-kB-family transcription factors, participating in host-defense, immunity, inflammation, and cancer is a pathway activated by ant... aid1384.table aid1384.tbin
1385 198479 Project Title: A screen for modulators of human Rad51, a key DNA repair protein Application Number: MH084119 Assay Submitter: Dr. Alex Mazin Submitter Institution: Drexel University Screening Center Name: Penn Center for Molecular Discovery (PCMD) Principal Investigator of Screening Center: Scott Diamond Ionizing radiation (IR) and inter-strand cross-linking agents (ICL) induce DNA double-stranded breaks (DSB). DSB are the most harmful type of DNA damage, which cause genome instability, can... aid1385.table aid1385.tbin
1386 1 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Proposal Number: 1R03DA024887-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute ER stress is a cellular response initiated by unfolded protein accumulation in the Endoplasmic Reticulum (ER). Prolonged ER stress induces cell death with a form of ... aid1386.table aid1386.tbin
1387 2 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Proposal Number: 1R03DA024887-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute ER stress is a cellular response initiated by unfolded protein accumulation in the Endoplasmic Reticulum (ER). Prolonged ER stress induces cell death with a form of ... aid1387.table aid1387.tbin
1388 11 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Proposal Number: 1R03DA024887-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute ER stress is a cellular response initiated by unfolded protein accumulation in the Endoplasmic Reticulum (ER). Prolonged ER stress induces cell death with a form of ... aid1388.table aid1388.tbin
1389 11 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Proposal Number: 1R03DA024887-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute ER stress is a cellular response initiated by unfolded protein accumulation in the Endoplasmic Reticulum (ER). Prolonged ER stress induces cell death with a form of ... aid1389.table aid1389.tbin
1390 11 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Proposal Number: 1R03DA024887-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute ER stress is a cellular response initiated by unfolded protein accumulation in the Endoplasmic Reticulum (ER). Prolonged ER stress induces cell death with a form of ... aid1390.table aid1390.tbin
1391 2 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Proposal Number: 1R03DA024887-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute ER stress is a cellular response initiated by unfolded protein accumulation in the Endoplasmic Reticulum (ER). Prolonged ER stress induces cell death with a form of ... aid1391.table aid1391.tbin
1392 52 Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Network (MLSCN) Assay Provider: Arkady Mustaev, Public Health Research Institute, Newark, NJ Grant number: MH076325-01 DNA-directed RNA polymerase (EC 2.7.7.6) is responsible for bacterial RNA synthesis and as such is essential for bacterial gene expression. Owing to its central role in DNA transcription, the enzyme RNA polymerase is the target of vario... aid1392.table aid1392.tbin
1393 21 NCGC Assay Overview: NIH Molecular Libraries Screening Centers Network [MLSCN] NIH Chemical Genomics Center [NCGC] MLSCN Grant: XO1-MH078932-01 Beta-glucocerebrosidase catalyzes the hydrolysis of beta-glucocerebroside to glucose and ceramide. The inherited deficiency of beta-glucocerebrosidase results in Gaucher disease, which is characterized by a wide variety of symptoms including hepatosplenomegaly, anemia, thrombocytopenia, bony lesions and bone marrow infiltration with characteristic stora... aid1393.table aid1393.tbin
1394 200 Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University MLSCN Grant: R03MH082369-01 The E3 ligases are involved in regulating other proteins by covalent ligation to the 76 amino acid protein ubiquitin. This post-translational modification can result in altered conformation, altered activity, or degradation of the substrate protein. Thus, E3 ligases are effectors of a major means of post-translational modif... aid1394.table aid1394.tbin
1395 1 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: 1R03 DA024887-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute The endoplasmic reticulum (ER) fulfills multiple cellular functions (reviewed in [1-7]). Myriad types of disturbances cause accumulation of unfolded proteins in the ER, trig... aid1395.table aid1395.tbin
1396 53 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: David Frank, Dana Farber Cancer Institute Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 X01 MH079826-01 Grant Proposal PI: David Frank, Dana Farber Cancer Institute External Assay ID: STAT1_INH_LUMI_1536_IC50 Name: Dose response cell-based assay to measure STAT1 inhibition Descripti... aid1396.table aid1396.tbin
1397 107 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: David Frank, Dana Farber Cancer Institute Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 X01 MH079826-01 Grant Proposal PI: David Frank, Dana Farber Cancer Institute External Assay ID: STAT1_ACT_LUMI_1536_EC50 Name: Dose response cell-based assay to measure STAT1 activation Descript... aid1397.table aid1397.tbin
1398 122 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: David Frank, Dana Farber Cancer Institute Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 X01 MH079826-01 Grant Proposal PI: David Frank, Dana Farber Cancer Institute External Assay ID: STAT3_ACT_LUMI_1536_EC50 Name: Dose response cell-based assay to measure STAT3 activation Descriptio... aid1398.table aid1398.tbin
1399 118 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: David Frank, Dana Farber Cancer Institute Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 X01 MH079826-01 Grant Proposal PI: David Frank, Dana Farber Cancer Institute External Assay ID: STAT3_INH_LUMI_1536_IC50 Name: Dose response cell-based assay to measure STAT3 inhibition Descrip... aid1399.table aid1399.tbin
1400 9 NCGC Assay Overview: NIH Molecular Libraries Screening Centers Network [MLSCN] NIH Chemical Genomics Center [NCGC] MLSCN Grant: XO1-MH077625-01 Hsp90 (heat shock protein 90) is the essential molecular chaperone and it accounts for 1-2% of all cytosolic proteins and is critical for the activity of diverse cellular proteins that are involved in a variety of cellular processes, including development, cell cycle, and steroid hormone signaling. Its client proteins include signaling kinases such as I... aid1400.table aid1400.tbin
1401 126 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] MLSCN Grant: 1 X01 MH080680-01 PI Name: Dr. Marvin Gershengorn, NIH NCGC Assay Overview: Thyroid Stimulating Hormone Receptor TSH is an alpha/beta heterodimeric glycoprotein hormone secreted from the anterior pituitary gland which belongs to the glycoprotein hormone family. The actions of TSH are mediated by a seven-transmembrane receptor, which upon TSH binding couples preferentially to the G-alpha (... aid1401.table aid1401.tbin
1402 31 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] MLSCN Grant: 1 X01 MH080680-01 PI Name: Dr. Marvin Gershengorn, NIH NCGC Assay Overview: Confirmation of Thyroid Stimulating Hormone Receptor Agonists TSH is an alpha/beta heterodimeric glycoprotein hormone secreted from the anterior pituitary gland which belongs to the glycoprotein hormone family. The actions of TSH are mediated by a seven-transmembrane receptor, which upon TSH binding couples prefer... aid1402.table aid1402.tbin
1403 29 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] MLSCN Grant: 1 X01 MH080680-01 PI Name: Dr. Marvin Gershengorn, NIH NCGC Assay Overview: Confirmation of Thyroid Stimulating Hormone Receptor Agonists TSH is an alpha/beta heterodimeric glycoprotein hormone secreted from the anterior pituitary gland which belongs to the glycoprotein hormone family. The actions of TSH are mediated by a seven-transmembrane receptor, which upon TSH binding couples prefer... aid1403.table aid1403.tbin
1404 107 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: David Frank, Dana Farber Cancer Institute Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 X01 MH079826-01 Grant Proposal PI: David Frank, Dana Farber Cancer Institute External Assay ID: STAT3_ACT_LUMI_1536_EC50 (CSDRUN) Name: Dose response counterscreen for STAT1 activators: cell-base... aid1404.table aid1404.tbin
1405 104 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] MLSCN Grant: X01 MH080684-01 PI Name: Dr. Ryszard Kole NCGC Assay Overview: Modulation of Alternative Splicing as Therapy Abnormal splicing is associated with a number of diseases, including cancer and genetic diseases such as cystic fibrosis, muscular dystrophy and beta-thalassemia. Alteration of disease associated splicing patterns provides a promising target for treatment. Work in the Kole laborato... aid1405.table aid1405.tbin
1406 122 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: David Frank, Dana Farber Cancer Institute Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 X01 MH079826-01 Grant Proposal PI: David Frank, Dana Farber Cancer Institute External Assay ID: STAT1_ACT_LUMI_1536_EC50 (CSDRUN) Name: Dose response counterscreen assay for STAT3 activators: cell-ba... aid1406.table aid1406.tbin
1407 1 Compound effects on the potassium voltage-gated channel KQT-like protein 2 (KCNQ2, Kv7.2) were measured by an optimized rubidium efflux assay. The HEK 293 cells stably expressing KCNQ2 channels were plated into 96-well plates. The next day, cells were loaded with medium containing RbCl. Compounds were added to the cell culture medium after the Rb+ loading. Cells were incubated with 10 uM compound for 3 hours. Then the residual Rb+ was washed out with Rb+ free plain medium. Cells were depolarized ... aid1407.table aid1407.tbin
1408 30 The PKD HTS assay was developed and run at the University of Pittsburgh Molecular Screening Center (PMLSC) as part of the Molecular Library Screening Center Network (MLSCN)(1R03DA24898-01). Protein kinase D (PKD) is a novel family of serine/threonine kinases targeted by diacylglycerol. It regulates many fundamental cell functions including cell proliferation, survival, differentiation and protein trafficking, and plays important roles in pathological conditions such as cardiac hypertrophy and c... aid1408.table aid1408.tbin
1409 53 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: David Frank, Dana Farber Cancer Institute Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 X01 MH079826-01 Grant Proposal PI: David Frank, Dana Farber Cancer Institute External Assay ID: STAT3_INH_LUMI_1536_IC50 (CSDRUN) Name: Dose response counterscreen for STAT1 inhibitors: cell-base... aid1409.table aid1409.tbin
1410 1090 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Nagi Ayad, TSRI Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1R21NS056991-01 Grant Proposal PI: Nagi Ayad, TSRI External Assay ID: Wee1_INH_LUMI_1536_3X%ACT Name: Confirmation cell-based high throughput screening assay for inhibitors of Wee1 degradation Description: Cell cycle progression... aid1410.table aid1410.tbin
1411 118 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: David Frank, Dana-Farber Cancer Institute Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 X01 MH079826-01 Grant Proposal PI: David Frank, Dana-Farber Cancer Institute External Assay ID: STAT1_INH_LUMI_1536_IC50 (CSDRUN) Name: Dose response counterscreen assay for STAT3 inhibitors: cell-ba... aid1411.table aid1411.tbin
1412 38 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Nagi Ayad, TSRI Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1R21NS056991-01 Grant Proposal PI: Nagi Ayad, TSRI External Assay ID: Wee1Degradation_ACT_LUMI_1536_EC50 Name: Dose Response Cell-based Assay for Inhibitors of Wee1 Degradation Description: Cell cycle progression and entry into... aid1412.table aid1412.tbin
1413 38 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Franck Madoux, SRIMSC Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1R21NS056991-01 Grant Proposal PI: Nagi Ayad, TSRI External Assay ID: CytoxHeLa_INH_LUMI_1536_CC50 Name: Cytotoxicity counterscreen assay for inhibitors of Wee1 degradation Description: Cell cycle progression and ... aid1413.table aid1413.tbin
1414 38 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Nagi Ayad, TSRI Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1R21NS056991-01 Grant Proposal PI: Nagi Ayad, TSRI External Assay ID: cyclinBDegradation_ACT_LUMI_1536_EC50 Name: Counterscreen assay for inhibitors of Wee1 degradation: dose response cell-based assay to identify inhibitors of cy... aid1414.table aid1414.tbin
1415 218702 University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interactions PI: Richard Neubig, Ph.D. Assay Implementation: Yang Wu Ph.D., Mark Haynes Ph.D., Anna Waller Ph.D., Mark Carter MS Target Team Leader for the Center: Larry Sklar, Ph.D., (lsklar@salud.unm.edu) Assay Background and Significance: Regulators of G protein signaling (RGS) proteins are a diverse set of intracellular proteins that modulate G protein-c... aid1415.table aid1415.tbin
1416 218117 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: David Ron, New York University Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number R03 MH082370-01 Grant Proposal PI: David Ron, New York University External Assay ID: PERK_INH_SEAP_1536_%ACT Name: Primary cell-based high-throughput screening assay to measure PERK inhibition Description: The endo... aid1416.table aid1416.tbin
1417 1114 NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, University of Michigan MLSCN Grant: R21NS057014 The Bcl-2 protein family includes anti-apoptotic proteins such as Bcl-2, Bcl-xL and Mcl-1 and pro-apoptotic proteins such as Bak, Bax, Bim, Bid and Bad. All members of the Bcl-2 protein family contain at least one conserved Bcl-2 homology (BH) domain. These domains have been demonstrated to be involved in th... aid1417.table aid1417.tbin
1418 1176 NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, University of Michigan MLSCN Grant: R21NS057014 The Bcl-2 protein family includes anti-apoptotic proteins such as Bcl-2, Bcl-xL and Mcl-1 and pro-apoptotic proteins such as Bak, Bax, Bim, Bid and Bad. All members of the Bcl-2 protein family contain at least one conserved Bcl-2 homology (BH) domain. These domains have been demonstrated to be involved in th... aid1418.table aid1418.tbin
1419 849 NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Theodore Jardetzky; Northwestern University MLSCN Grant: 1R21NS059415-01 Epstein-Barr virus (EBV), or human herpes virus 4 (HHV-4), is a member of the larger herpesvirus family that consists of three subfamilies (##, ##, ##). Epstein-Barr virus (EBV) is an extremely prevalent human herpesvirus. Disease syndromes in humans caused by EBV reflect the cell types that EBV infects... aid1419.table aid1419.tbin
1420 1134 NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Jonathan Glass, MD, Emory University School of Medicine MLSCN Grant: R03DA024890-01 Calpains are ubiquitous, calcium-activated cysteine proteases involved in both physiological and pathological cellular functions. The two major forms, u-calpain (calpain I) and m-calpain (calpain II), are activated by micromolar and millimolar calcium concentrations, respectively. A current... aid1420.table aid1420.tbin
1421 1344 NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Raymond Dingledine, Emory University MLSCN Grant: 5-U01NS058158-02 Assay Overview: Injury of the brain is a major cause of death and morbidity after the prolonged seizures termed status epilepticus (SE). Studies in rodents have demonstrated that cyclooxygenase 2 (COX2) activation by ischemia and SE generally contributes to neuronal injury, but multiple downstream COX2 si... aid1421.table aid1421.tbin
1422 256758 NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Raymond Dingledine, Emory University MLSCN Grant: 5-U01NS058158-02 Assay Overview: Prostaglandin E2 that is produced by COX2 in response to cellular injury is involved in a multimodal inflammatory response in many tissues, including the brain. Studies in rodents have demonstrated that cyclooxygenase 2 (COX2) activation following ischemia and status epilepticus generall... aid1422.table aid1422.tbin
1423 218702 University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interactions PI: Richard Neubig, Ph.D. Assay Implementation: Yang Wu Ph.D., Mark Haynes Ph.D., Anna Waller Ph.D., Mark Carter MS Target Team Leader for the Center: Larry Sklar, Ph.D., (lsklar@salud.unm.edu) Assay Background and Significance: Regulators of G protein signaling (RGS) proteins are a diverse set of intracellular proteins that modulate G protein-c... aid1423.table aid1423.tbin
1424 218117 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Stefan Heller, Stanford University Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number 1 R03 MH083077-01 Grant Proposal PI: Stefan Heller, Stanford University External Assay ID: TRPN1_AG_Calcium_1536_%ACT Name: Primary cell-based high-throughput screening assay to identify agonists of the... aid1424.table aid1424.tbin
1429 237 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Hugh Rosen, TSRI Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1 R03 MH076533-01 Grant Proposal PI: Germana Sanna, TSRI External Assay ID: S1P3_ANT_BLA_1536_3X%INH Name: Confirmation cell-based assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 3 (S1P3) Description: Sp... aid1429.table aid1429.tbin
1430 220335 Excerpt from MH0882340 application (Dr. James Morris, Clemson University) Trypanosoma brucei, the digenic protozoan parasite that causes African sleeping sickness in man, annually infects ~500,000 people in sub-Saharan Africa, leading to 50,000-70,000 deaths per year. Glucose metabolism is essential for the parasite, with the pathogenic lifestage of the parasite, the bloodstream form (BSF), acquiring energy exclusively through glycolysis. Hexokinase (HK), the first enzyme in glycolysis, cata... aid1430.table aid1430.tbin
1431 1260 Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsylvania MLSCN Grant: X01-MH076406-01 Target Human kallikrein 5 (hK5) is a member of the human tissue kallikrein family, which contains 15 kallikrein-like serine proteases (1). It is synthesized as a 293 amino acid zymogen, and loses a 29 amino acid signal peptide upon secretion, followed by cleavage at the Arg66-Ile67 bond, which releases a 37 ami... aid1431.table aid1431.tbin
1433 38 Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute t... aid1433.table aid1433.tbin
1434 218386 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number: X01 MH083230-01 Assay Provider: Dr. John Bushweller, University of Virginia Charlottesville, Charlottesville VA The protein-protein interaction between the subunits of the heterodimeric transcription factor CBF, core binding factor beta (CBFb) and Runx1 (CBFa), pla... aid1434.table aid1434.tbin
1435 68 Project Title: A screen for modulators of human Rad51, a key DNA repair protein Application Number: MH084119 Assay Submitter: Dr. Alex Mazin Submitter Institution: Drexel University Screening Center Name: Penn Center for Molecular Discovery (PCMD) Principal Investigator of Screening Center: Scott Diamond Ionizing radiation (IR) and inter-strand cross-linking agents (ICL) induce DNA double-stranded breaks (DSB). DSB are the most harmful type of DNA damage, which cause genome instability, can... aid1435.table aid1435.tbin
1436 19 Project Title: A screen for modulators of human Rad51, a key DNA repair protein Application Number: MH084119 Assay Submitter: Dr. Alex Mazin Submitter Institution: Drexel University Screening Center Name: Penn Center for Molecular Discovery (PCMD) Principal Investigator of Screening Center: Scott Diamond Ionizing radiation (IR) and inter-strand cross-linking agents (ICL) induce DNA double-stranded breaks (DSB). DSB are the most harmful type of DNA damage, which cause genome instability, can... aid1436.table aid1436.tbin
1437 95 Project Title: A screen for modulators of human Rad51, a key DNA repair protein Application Number: MH084119 Assay Submitter: Dr. Alex Mazin Submitter Institution: Drexel University Screening Center Name: Penn Center for Molecular Discovery (PCMD) Principal Investigator of Screening Center: Scott Diamond Ionizing radiation (IR) and inter-strand cross-linking agents (ICL) induce DNA double-stranded breaks (DSB). DSB are the most harmful type of DNA damage, which cause genome instability, can... aid1437.table aid1437.tbin
1438 2224 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number: X01 MH083230-01 Assay Provider: Dr. John Bushweller, University of Virginia Charlottesville, Charlottesville VA The protein-protein interaction between the subunits of the heterodimeric transcription factor CBF, core binding factor b (CBFb) and Runx1 (CBFa), plays ... aid1438.table aid1438.tbin
1439 218702 University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interactions PI: Richard Neubig, Ph.D. Assay Implementation: Yang Wu Ph.D., Mark Haynes Ph.D., Anna Waller Ph.D., Mark Carter MS Target Team Leader for the Center: Larry Sklar, Ph.D., (lsklar@salud.unm.edu) Assay Background and Significance: Regulators of G protein signaling (RGS) proteins are a diverse set of intracellular proteins that modulate G protein-c... aid1439.table aid1439.tbin
1440 218702 University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interactions PI: Richard Neubig, Ph.D. Assay Implementation: Yang Wu Ph.D., Mark Haynes Ph.D., Anna Waller Ph.D., Mark Carter MS Target Team Leader for the Center: Larry Sklar, Ph.D., (lsklar@salud.unm.edu) Assay Background and Significance: Regulators of G protein signaling (RGS) proteins are a diverse set of intracellular proteins that modulate G protein-c... aid1440.table aid1440.tbin
1441 218702 University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interactions PI: Richard Neubig, Ph.D. Assay Implementation: Yang Wu Ph.D., Mark Haynes Ph.D., Anna Waller Ph.D., Mark Carter MS Target Team Leader for the Center: Larry Sklar, Ph.D., (lsklar@salud.unm.edu) Assay Background and Significance: Regulators of G protein signaling (RGS) proteins are a diverse set of intracellular proteins that modulate G protein-c... aid1441.table aid1441.tbin
1442 40 Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University MLSCN Grant: R03MH082369-01 The E3 ligases are involved in regulating other proteins by covalent ligation to the 76 amino acid protein ubiquitin. This post-translational modification can result in altered conformation, altered activity, or degradation of the substrate protein. Thus, E3 ligases are effectors of a major means of post-translational modif... aid1442.table aid1442.tbin
1443 217187 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number: X01 MH083230-01 Assay Provider: Dr. Dmitri Rozanov, Sanford-Burnham Medical Research Institute, San Diego CA Cytotoxic chemotherapy induces apoptosis via a pathway involving mitochondria, sometimes referred to as the "intrinsic pathway." An acquired resistance to a... aid1443.table aid1443.tbin
1444 40 Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University MLSCN Grant: R03MH082369-01 The E3 ligases are involved in regulating other proteins by covalent ligation to the 76 amino acid protein ubiquitin. This post-translational modification can result in altered conformation, altered activity, or degradation of the substrate protein. Thus, E3 ligases are effectors of a major means of post-translational modif... aid1444.table aid1444.tbin
1445 217157 Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening Centers Network (MLSCN) Assay Provider: Dr. Donald Gardiner, Queensland Institute of Medical Research Grant: 1-R03-MH082342-01A1 The intraerythrocytic stages of the human malaria parasite Plasmodium falciparum employs two cytosolic neutral aminopeptidases, an M1-family alanyl aminopeptidase (M1AAP) and an M17-family leucine aminopeptidase (M17LAP... aid1445.table aid1445.tbin
1446 218117 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Ross Levine, Memorial Sloan Kettering Cancer Center (MSKCC) Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R03 MH084174-01 Grant Proposal PI: Ross Levine, MSKCC External Assay ID: JAK2V617F_INH_LUMI_1536_%INH Name: Primary cell-based high throughput assay for inhibitors of the Janus... aid1446.table aid1446.tbin
1447 1248 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number: X01 MH083230-01 Assay Provider: Dr. Dmitri Rosenoff, Sanford-Burnham Medical Research Institute, San Diego CA This assay is a counter screen for AID 1443, "uHTS for the identification of compounds that potentiate TRAIL-induced apoptosis of cancer cells". The goa... aid1447.table aid1447.tbin
1448 218117 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Stefan Heller, Stanford University Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number 1 R03 MH083077-01 Grant Proposal PI: Stefan Heller , Stanford University External Assay ID: TRPML3_AG_Calcium_1536_%ACT Name: Primary cell-based high-throughput screening assay to identify agonists of the... aid1448.table aid1448.tbin
1449 6 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Proposal Number: MH081277-01 Assay Provider: John C. Reed, Sanford-Burnham Medical Research Institute, San Diego, CA This XIAP dose response assay is developed and performed to confirm hits originally identified in the XIAP HTS binding assay (AID 1018) and to study the struc... aid1449.table aid1449.tbin
1450 39 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Proposal Number: 1R03 MH082385-01 This TNAP dose response assay is developed and performed to confirm hits originally identified in the TNAP luminescent HTS assay (AID 1001) and to study the structure-activity relationship on analogs of the confirmed hits. Compounds are eith... aid1450.table aid1450.tbin
1451 273 University of New Mexico Assay Overview: Assay Support: 1R03MH081228-01A1 High-throughput multiplex screening for ABC transporter inhibitors PI: Richard Larson MD, PhD Assay Development: Irena Ivnitski-Steele PhD Assay Implementation: Irena Ivnitski-Steele PhD, Terry Foutz, Anna Waller PhD, Mark Carter Target Team Leader for the Center: Bruce Edwards, PhD (BEdwards@salud.unm.edu) Assay Background and Significance: The three major types of multidrug resistance (MDR) proteins in humans incl... aid1451.table aid1451.tbin
1452 153607 Assay Provider: Holman, T.R., University of California, Santa Cruz Screening Center PI: Austin, C.P. Screening Center: NIH Chemical Genomics Center [NCGC] Human lipoxygenase 12hLO is a member of the closely related lipoxygenase family of enzymes which catalyze the site-specific oxidation of arachidonic acid to various hormone precursor molecules and as such is a candidate for drug development in a variety of disease areas, such as cancer and inflammation. Inhibition of 12hLO activity was screene... aid1452.table aid1452.tbin
1453 273 University of New Mexico Assay Overview: Assay Support:1R03MH081228-01A1 High-throughput multiplex screening for ABC transporter inhibitors PI: Richard Larson MD, PhD Assay Development: Irena Ivnitski-Steele PhD Assay Implementation: Irena Ivnitski-Steele PhD, Terry Foutz, Anna Waller PhD, Mark Carter Target Team Leader for the Center: Bruce Edwards, PhD (BEdwards@salud.unm.edu Assay Background and Significance: The three major types of multidrug resistance (MDR) proteins in humans include... aid1453.table aid1453.tbin
1454 133385 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] MLSCN Grant: 1X01MH082406-01 Assay Submitter (PI): Dr. Wei Zheng, NCGC/NIH NCGC Assay Overview: The Ras/extracellular-signal-regulated kinase (ERK) mitogen activated protein (MAP) kinase signaling pathway (ERK1/2 cascade) plays a key role in transmitting signals from the cell surface to the nucleus (Nishida and Gotoh 1993; Chang and Karin, 2001). The cascade is initiated by the small G-protein Ras, w... aid1454.table aid1454.tbin
1455 29 NIH Molecular Libraries Screening Centers Network [MLSCN] NIH Chemical Genomics Center [NCGC] MLSCN Grant: XO1-MH079852-01 PI Name: Nicholson, Ben. Progenra Inc, Malvern, PA NCGC Assay Overview: Homeostasis of cellular proteins is maintained through a combination of synthesis and degradation. The pathway that accounts for the majority of protein degradation is the ubiquitin-proteasomal pathway. Ubiquitin (Ub) is highly conserved in all cells and the generation of a multi-Ub chain typically tar... aid1455.table aid1455.tbin
1456 189275 Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Grant Title: Identification of Novel Modulators of Cl- dependent Transport Process via HTS Grant Number: R21NS053658-01 Cation-chloride cotransporters such as K-Cl cotransport and Na-K-2Cl cotransport play major roles in a variety of physiological settings, including the modulation of GABAergic synaptic transmission. For instance, KCC2, a neuronal-spe... aid1456.table aid1456.tbin
1457 208882 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Probe Production centers Network [MLPCN] MLPCN Grant: X01 MH082413-01 Assay Submitter (PI): Wei Zheng NCGC Assay Overview: Lithium has been widely used for the treatment of bipolar disorder. But lithium has a narrow therapeutic index and it can cause side effects such as thirst, weight gain, tremor, polyuria and memory problems. Although the mechanism for lithium action in treatment of bipolar disorder is still not fully understood, i... aid1457.table aid1457.tbin
1458 211511 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Probe Production centers Network [MLPCN] MLPCN Grant: R03 MH084179-01 Assay Submitter (PI): Elliot Androphy NCGC Assay Overview: Spinal muscular atrophy (SMA) is caused by insufficient levels of the survival motor neuron protein SMN. The SMN locus on chromosome 5q13 contains two inverted copies of SMN called SMN1 and SMN2 which are 99% identical at the amino acid level. SMN1 is a fully functional protein and SMN2 skips exon 7 90% of t... aid1458.table aid1458.tbin
1459 1279 NCGC Assay Overview: Hutchinson-Gilford Progeria Syndrome (HGPS) is a pediatric premature aging disease caused by a spontaneous mutation in the lamin A/C (LMNA) gene. The mutation activates a cryptic splice site in the LMNA pre-mRNA which results in production of a pre-lamin A protein that cannot be processed properly. The mutant protein accumulates in the nucleus and negatively affects numerous cellular functions. Correction of the splicing defect in HGPS patient cells using a targeted oligonu... aid1459.table aid1459.tbin
1460 271676 NIH Molecular Libraries Probe Production Network [MLPCN] NIH Chemical Genomics Center [NCGC] MLPCN Grant: X01 MH083262-01 Assay Provider: Carlo Ballatore, University of Pennsylvania NCGC Assay Overview: The microtubule-associated protein tau is an abundant protein in the axons of neurons that stabilizes microtubules. With its ability to modulate microtubule dynamics, tau contributes directly or indirectly, to key structural and regulatory cellular functions. Particularly important is the influ... aid1460.table aid1460.tbin
1461 221370 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Probe Production centers Network [MLPCN] MLPCN Grant: X01-DA026210-01 Assay Submitter (PI): Heilig, Markus Alexander NCGC Assay Overview: Neuropeptide S receptor (NPSR), previously known as GPR154, is a recently de-orphanized G protein coupled receptor. Its endogenous ligand is the 20 amino acids peptide Neuropeptide S (NPS). Activation of NPSR induces transient increases in intracellular calcium and cAMP, suggesting coupling of this ... aid1461.table aid1461.tbin
1462 6 NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN MLSCN Grant Number: MH077612-01 Escherichia coli DnaK, a homolog of heat shock protein 70, has been shown to protect denature proteins from aggregation and promote their refolding by ATP hydrolysis. DnaK, along with its two co-cohort proteins DnaJ and GrpE, forms a microbial chaperone system that shelters microorganisms from environmental stresses such as temperature, osmotic, and pH change... aid1462.table aid1462.tbin
1463 275712 NIH Molecular Libraries Probe Production Network [MLPCN] NIH Chemical Genomics Center [NCGC] MLPCN Grant: X01 MH083262-01 Assay Provider: Carlo Ballatore, University of Pennsylvania NCGC Assay Overview: The microtubule-associated protein tau is an abundant protein in the axons of neurons that stabilizes microtubules. With its ability to modulate microtubule dynamics, tau contributes directly or indirectly, to key structural and regulatory cellular functions. Particularly important is the influ... aid1463.table aid1463.tbin
1464 11 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Probe Production centers Network [MLPCN] MLPCN Grant: X01-DA026210-01 Assay Submitter (PI): Heilig, Markus Alexander NCGC Assay Overview: Neuropeptide S receptor (NPSR), previously known as GPR154, is a recently de-orphanized G protein coupled receptor. Its endogenous ligand is the 20 amino acids peptide Neuropeptide S (NPS). Activation of NPSR induces transient increases in intracellular calcium and cAMP, suggesting coupling of this ... aid1464.table aid1464.tbin
1465 215402 Screen for Probes that give insight into the mitochondrial electron transport chain Friedreich's ataxia is an autosomal recessive neurodegenerative disorder caused by mutations in the FXN gene, which encodes the protein frataxin [Campuzano, et al., 1996, Ohshima, et al. 1998], and for which there are no currently accepted treatments. It is the most common hereditary ataxia and causes progressive damage to the nervous system, particularly sensory neurons, resulting in symptoms ranging from atax... aid1465.table aid1465.tbin
1466 199303 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Probe Production centers Network [MLPCN] MLPCN Grant: 1R03MH084841-01 Assay Submitter (PI): Wei Zheng NCGC Assay Overview: Alpha-glucosidase is responsible for hydrolysis of terminal, non-reducing 1,4-linked alpha-D-glucose residues with release of alpha-D-glucose. It is a lysosomal hydrolase that is required for the degradation of a small percentage (1-3%) of cellular glycogen in human. Deficiency of this enzyme results in glycogen-s... aid1466.table aid1466.tbin
1467 229459 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Probe Production centers Network [MLPCN] MLPCN Grant: 1R03MH084842-01 Assay Submitter (PI): Wei Zheng NCGC Assay Overview: Alpha-galactosidase is a homodimeric glycoprotein that hydrolyzes the terminal alpha-galactosyl moieties from glycolipids and glycoproteins. Deficiency of this enzyme results in Fabry Disease with progressive accumulation of globotriaosylceramide and other glycosphingolipids in vascular endothelial cells that caus... aid1467.table aid1467.tbin
1468 275712 NIH Molecular Libraries Probe Production Network [MLPCN] NIH Chemical Genomics Center [NCGC] MLPCN Grant: X01 MH083262-01 Assay Provider: Carlo Ballatore, University of Pennsylvania NCGC Assay Overview: The microtubule-associated protein tau is an abundant protein in the axons of neurons that stabilizes microtubules. With its ability to modulate microtubule dynamics, tau contributes directly or indirectly, to key structural and regulatory cellular functions. Particularly important is the influ... aid1468.table aid1468.tbin
1469 282587 NIH Molecular Libraries Probe Production Network [MLPCN] NIH Chemical Genomics Center [NCGC] MLPCN Grant: DK058080 Assay Provider: R. Kip Guy, St. Jude Children's Research Hospital NCGC Assay Overview: Thyroid receptor (TR) regulates many homeostatic processes including basal metabolism, cardiovascular function, body weight, and lipid trafficking. TR modulators are potential therapeutics for obesity and hyperlipidemias but current thyroid analogs have undesirable side effects, particularly card... aid1469.table aid1469.tbin
1470 4 Assay Provider: P. Jeffrey Conn Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of novel allosteric modulators of the M1 muscarinic receptor Grant Number: 1 R03 MH077606-01 The M1 muscarinic receptor is thought to be an important therapeutic target in schizophrenia. A cell-based fluorometric calcium assay was developed for high throughput screening. This assay was used to identify compounds with high selectivity for the M1 receptor subtype that act at an allosteric site ... aid1470.table aid1470.tbin
1471 227407 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Probe Production centers Network [MLPCN] MLPCN Grant: R03MH084839-01A1 Assay Submitter (PI): Wei Zheng NCGC Assay Overview: Huntington's disease is a neurodegenerative disorder caused by a trinucleotide repeat expansion in Exon 1 of the Huntingtin gene. The CAG trinucleotide encodes glutamine and polyglutamine expansions cause cell death in selective areas of the brain. Huntington polyglutamine repeats have the tendency to form aggreg... aid1471.table aid1471.tbin
1472 15 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Probe Production centers Network [MLPCN] MLPCN Grant: 1R03MH084842-01 Assay Submitter (PI): Wei Zheng NCGC Assay Overview: Alpha-galactosidase is a homodimeric glycoprotein that hydrolyzes the terminal alpha-galactosyl moieties from glycolipids and glycoproteins. Deficiency of this enzyme results in Fabry Disease with progressive accumulation of globotriaosylceramide and other glycosphingolipids in vascular endothelial cells that caus... aid1472.table aid1472.tbin
1473 5 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Probe Production centers Network [MLPCN] MLPCN Grant: 1R03MH084841-01 Assay Submitter (PI): Wei Zheng NCGC Assay Overview: Alpha-glucosidase is responsible for hydrolysis of terminal, non-reducing 1,4-linked alpha-D-glucose residues with release of alpha-D-glucose. It is a lysosomal hydrolase that is required for the degradation of a small percentage (1-3%) of cellular glycogen in human. Deficiency of this enzyme results in glycogen-s... aid1473.table aid1473.tbin
1474 38 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Probe Production centers Network [MLPCN] MLPCN Grant: R03 MH084179-01 Assay Submitter (PI): Elliot Androphy NCGC Assay Overview: Spinal muscular atrophy (SMA) is caused by insufficient levels of the survival motor neuron protein SMN. The SMN locus on chromosome 5q13 contains two inverted copies of SMN called SMN1 and SMN2 which are 99% identical at the amino acid level. SMN1 is a fully functional protein and SMN2 skips exon 7 90% of t... aid1474.table aid1474.tbin
1475 21 NIH Molecular Libraries Probe Production Network [MLPCN] NIH Chemical Genomics Center [NCGC] MLPCN Grant: X01 MH083262-01 Assay Provider: Carlo Ballatore, University of Pennsylvania NCGC Assay Overview: The microtubule-associated protein tau is an abundant protein in the axons of neurons that stabilizes microtubules. With its ability to modulate microtubule dynamics, tau contributes directly or indirectly, to key structural and regulatory cellular functions. Particularly important is the infl... aid1475.table aid1475.tbin
1476 197846 Cruzain is a cysteine protease from the tropical parasite Trypanosoma cruzi. Dual qHTS experiment was performed against the NCGC compound collection in order to 1) identify novel inhibitors of the enzyme and 2) profile the compound collection for promiscuous inhibitors operating via colloidal aggregation (by performing detergent-free and detergent-containing comparison screens). Cruzain was assayed by the use of fluorogenic coumarin-based substrate Z-FR-AMC: proteolytic cleavage releases AMC, who... aid1476.table aid1476.tbin
1477 234798 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Probe Production centers Network [MLPCN] MLPCN Grant: X01MH083259-01 Assay Submitter (PI): Paul Liu NCGC Assay Overview: Core Binding Factor (CBF) abnormalities are associated with 20-25% of all acute myeloid leukemias (AML), of which 5-10% are further sub classified as acute myelomonocytic leukemia with eosinophilia, also known as M4Eo in the FAB classification scheme. This subtype of leukemia is usually associated with chromosome ... aid1477.table aid1477.tbin
1478 197846 Cruzain (3.4.22.51) is a cysteine protease from the tropical parasite Trypanosoma cruzi. Dual qHTS experiment was performed against the NCGC compound collection in order to 1) identify novel inhibitors of the enzyme and 2) profile the compound collection for promiscuous inhibitors operating via colloidal aggregation (by performing detergent-free and detergent-containing comparison screens). Cruzain was assayed by the use of fluorogenic coumarin-based substrate Z-FR-AMC: proteolytic cleavage relea... aid1478.table aid1478.tbin
1479 282587 NIH Molecular Libraries Probe Production Network [MLPCN] NIH Chemical Genomics Center [NCGC] MLPCN Grant: DK058080 Assay Provider: R. Kip Guy, St. Jude Children's Research Hospital NCGC Assay Overview: Thyroid receptor (TR) regulates many homeostatic processes including basal metabolism, cardiovascular function, body weight, and lipid trafficking. TR modulators are potential therapeutics for obesity and hyperlipidemias but current thyroid analogs have undesirable side effects, particularly car... aid1479.table aid1479.tbin
1480 273 University of New Mexico Assay Overview: Assay Support: 1R03MH081228-01A1 High-throughput multiplex screening for ABC transporter inhibitors PI: Richard Larson MD, PhD Assay Development: Irena Ivnitski-Steele PhD Assay Implementation: Irena Ivnitski-Steele PhD, Terry Foutz, Anna Waller PhD, Mark Carter Target Team Leader for the Center: Bruce Edwards, PhD (BEdwards@salud.unm.edu) Assay Background and Significance: For the multiplex screen of ABC transporters (AID 1325 and 1326) testing co... aid1480.table aid1480.tbin
1481 218117 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Raymond Deshaies, California Institute of Technology Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number 1 R03 MH085687-01 Grant Proposal PI: Raymond Deshaies, California Institute of Technology External Assay ID: P97_INH_Lumi_1536_%INH Name: Primary biochemical high-throughput screening assay to me... aid1481.table aid1481.tbin
1482 11 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Probe Production centers Network [MLPCN] MLPCN Grant: R03MH084839-01A1 Assay Submitter (PI): Wei Zheng NCGC Assay Overview: Huntington's disease is a neurodegenerative disorder caused by a trinucleotide repeat expansion in Exon 1 of the Huntingtin gene. The CAG trinucleotide encodes glutamine and polyglutamine expansions cause cell death in selective areas of the brain. Huntington polyglutamine repeats have the tendency to form aggreg... aid1482.table aid1482.tbin
1483 273 University of New Mexico Assay Overview: Assay Support: 1R03MH081228-01A1 High-throughput multiplex screening for ABC transporter inhibitors PI: Richard Larson MD, PhD Assay Development: Irena Ivnitski-Steele PhD Assay Implementation: Irena Ivnitski-Steele PhD, Terry Foutz, Anna Waller PhD, Mark Carter Target Team Leader for the Center: Bruce Edwards, PhD (BEdwards@salud.unm.edu) Assay Background and Significance: For the multiplex screen of ABC transporters (AID 1325 and 1326) testing co... aid1483.table aid1483.tbin
1484 15 NCGC Assay Overview: Core Binding Factor (CBF) abnormalities are associated with 20-25% of all acute myeloid leukemias (AML), of which 5-10% are further sub classified as acute myelomonocytic leukemia with eosinophilia, also known as M4Eo in the FAB classification scheme. This subtype of leukemia is usually associated with chromosome 16 inversion (p13:q22). Chromosome 16 inversion results in formation of the fusion oncogene CBFB-MYH11, which encodes the fusion protein CBF-beta-SMMHC. This fusion... aid1484.table aid1484.tbin
1485 1 NIH Molecular Libraries Probe Production Network [MLPCN] NIH Chemical Genomics Center [NCGC] MLPCN Grant: DK058080 Assay Provider: R. Kip Guy, St. Jude Children's Research Hospital NCGC Assay Overview: Thyroid receptor (TR) regulates many homeostatic processes including basal metabolism, cardiovascular function, body weight, and lipid trafficking. TR modulators are potential therapeutics for obesity and hyperlipidemias but current thyroid analogs have undesirable side effects, particularly car... aid1485.table aid1485.tbin
1486 218117 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Ross Levine, Memorial Sloan Kettering Cancer Center (MSKCC) Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R03 MH084174-01 Grant Proposal PI: Ross Levine, MSKCC External Assay ID: BAF3CYTOX_INH_LUMI_1536_%INH Name: Counterscreen for inhibitors of Janus kinase 2 mutant JAK2V617F: Cel... aid1486.table aid1486.tbin
1487 198098 NCGC Assay Overview: Hutchinson-Gilford Progeria Syndrome (HGPS) is a pediatric premature aging disease caused by a spontaneous mutation in the lamin A/C (LMNA) gene. The mutation activates a cryptic splice site in the LMNA pre-mRNA which results in production of a pre-lamin A protein that cannot be processed properly. The mutant protein accumulates in the nucleus and negatively affects numerous cellular functions. Correction of the splicing defect in HGPS patient cells using a targeted oligonuc... aid1487.table aid1487.tbin
1488 1665 Assay Provider: P. Jeffery Conn Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of novel allosteric modulators of the M1 muscarinic receptor Grant Number: 1 R03 MH077606-01 The M1 muscarinic receptor is thought to be an important therapeutic target in schizophrenia. A cell-based fluorometric calcium assay was developed for high throughput screening. This assay was used to identify compounds with high selectivity for the M1 receptor subtype that act at an allosteric site ... aid1488.table aid1488.tbin
1489 213 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Probe Production centers Network [MLPCN] MLPCN Grant: X01-DA026210-01 Assay Submitter (PI): Heilig, Markus Alexander NCGC Assay Overview: Neuropeptide S receptor (NPSR), previously known as GPR154, is a recently de-orphanized G protein coupled receptor. Its endogenous ligand is the 20 amino acids peptide Neuropeptide S (NPS). Activation of NPSR induces transient increases in intracellular calcium and cAMP, suggesting coupling of this ... aid1489.table aid1489.tbin
1490 310852 Assay Submitter: Michael Burkart, University of California, San Diego Screening Center PI: Austin, C.P. Screening Center: NIH Chemical Genomics Center [NCGC] The covalent attachment of a phosphopantetheinyl (4'-PP) arm to a variety of synthases and other proteins is a key posttranslational protein modification. The 4'-PP is installed on the proteins post-translationally from coenzyme A (CoA) on a conserved serine residue by action of phosphopantetheinyl transferase (PPTase) enzymes. Phosphopante... aid1490.table aid1490.tbin
1491 259 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Probe Production centers Network [MLPCN] MLPCN Grant: X01-DA026210-01 Assay Submitter (PI): Heilig, Markus Alexander NCGC Assay Overview: Neuropeptide S receptor (NPSR), previously known as GPR154, is a recently de-orphanized G protein coupled receptor. Its endogenous ligand is the 20 amino acids peptide Neuropeptide S (NPS). Activation of NPSR induces transient increases in intracellular calcium and cAMP, suggesting coupling of this ... aid1491.table aid1491.tbin
1492 85 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Probe Production centers Network [MLPCN] MLPCN Grant: X01-DA026210-01 Assay Submitter (PI): Heilig, Markus Alexander NCGC Assay Overview: Neuropeptide S receptor (NPSR), previously known as GPR154, is a recently de-orphanized G protein coupled receptor. Its endogenous ligand is the 20 amino acids peptide Neuropeptide S (NPS). Activation of NPSR induces transient increases in intracellular calcium and cAMP, suggesting coupling of this ... aid1492.table aid1492.tbin
1493 16 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Probe Production centers Network [MLPCN] MLPCN Grant: X01-DA026210-01 Assay Submitter (PI): Heilig, Markus Alexander NCGC Assay Overview: Neuropeptide S receptor (NPSR), previously known as GPR154, is a recently de-orphanized G protein coupled receptor. Its endogenous ligand is the 20 amino acids peptide Neuropeptide S (NPS). Activation of NPSR induces transient increases in intracellular calcium and cAMP, suggesting coupling of this ... aid1493.table aid1493.tbin
1494 11 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Proposal Number: XO1 MH078942 Assay Provider: Dr. Maurizio Pellecchia, Sanford-Burnham Medical Research Institute, San Diego, CA The misregulation of protein folding often results in a variety of deleterious consequences on cellular function that range from the accumulation ... aid1494.table aid1494.tbin
1495 16 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Proposal Number: XO1 MH078942 Assay Provider: Dr. Maurizio Pellecchia, Sanford-Burnham Medical Research Institute, San Diego, CA The misregulation of protein folding often results in a variety of deleterious consequences on cellular function that range from the accumulation ... aid1495.table aid1495.tbin
1496 215818 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number: X01 MH083230-01 Assay Provider: Dr. John Bushweller, University of Virginia Charlottesville, Charlottesville VA The protein-protein interaction between the subunits of the heterodimeric transcription factor CBF, core binding factor b (CBFb) and Runx1 (CBFa), plays ... aid1496.table aid1496.tbin
1497 92523 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number: 1R03NS053659-01 Assay Provider: Dr. Vineet Gupta, University of Miami, Miami FL The leukocyte specific beta2 integrins are central to the biological function of these cells. These cellular receptors mediate the divalent metal ion dependent adhesion of leukocytes in... aid1497.table aid1497.tbin
1498 152 NCGC Assay Overview: Hutchinson-Gilford Progeria Syndrome (HGPS) is a pediatric premature aging disease caused by a spontaneous mutation in the lamin A/C (LMNA) gene. The mutation activates a cryptic splice site in the LMNA pre-mRNA which results in production of a pre-lamin A protein that cannot be processed properly. The mutant protein accumulates in the nucleus and negatively affects numerous cellular functions. Correction of the splicing defect in HGPS patient cells using a targeted oligonuc... aid1498.table aid1498.tbin
1499 92690 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number: 1R03NS053659-01 Assay Provider: Dr. Vineet Gupta, University of Miami, Miami FL The leukocyte specific beta2 integrins are central to the biological function of these cells. These cellular receptors mediate the divalent metal ion dependent adhesion of leukocytes inc... aid1499.table aid1499.tbin
1500 4 Principal Investigator: Hattie D. Gresham, Ph.D. Grant: NIH 1X01MH078952-01 Screening Center: New Mexico Molecular Libraries Screening Center Assay Background and Significance Quorum sensing is a cell-to-cell communication system that permits members of a bacterial population to coordinate their behavior dependent on cell density (for review see Waters and Bassler, 2005). The mediators of this communication system are small, diffusible pheromones or autoinducers that are secreted by the bacte... aid1500.table aid1500.tbin
1501 1 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Proposal Number: XO1 MH078942 Assay Provider: Dr. Maurizio Pellecchia, Sanford-Burnham Medical Research Institute, San Diego, CA The misregulation of protein folding often results in a variety of deleterious consequences on cellular function that range from the accumulation ... aid1501.table aid1501.tbin
1502 475 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number: X01 MH083230-01 Assay Provider: Dr. John Bushweller, University of Virginia Charlottesville, Charlottesville VA The protein-protein interaction between the subunits of the heterodimeric transcription factor CBF, core binding factor beta (CBFb) and Runx1 (CBFa), pla... aid1502.table aid1502.tbin
1503 8 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Proposal Number: XO1 MH078942 Assay Provider: Dr. Maurizio Pellecchia, Sanford-Burnham Medical Research Institute, San Diego, CA The misregulation of protein folding often results in a variety of deleterious consequences on cellular function that range from the accumulation ... aid1503.table aid1503.tbin
1504 1629 University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interactions PI: Larry Sklar, Ph.D., Richard Neubig, Ph.D Assay Implementatiion: Yang Wu Ph.D, Mark Hynes Ph.D, Anna Waller Ph.D, Mark Carter MS Assay Background and Significance: This report summarizes the series of assays used to identify small molecule modulators of regulators of G protein signaling (RGS) family protein interactions via the G protein a... aid1504.table aid1504.tbin
1505 2 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Proposal Number: XO1 MH078942 Assay Provider: Dr. Maurizio Pellecchia, Sanford-Burnham Medical Research Institute, San Diego, CA The misregulation of protein folding often results in a variety of deleterious consequences on cellular function that range from the accumulation ... aid1505.table aid1505.tbin
1506 4 Principal Investigator: Hattie D. Gresham, Ph.D. Grant: NIH 1X01MH078952-01 Screening Center: New Mexico Molecular Libraries Screening Center Assay Background and Significance Quorum sensing is a cell-to-cell communication system that permits members of a bacterial population to coordinate their behavior dependent on cell density (for review see Waters and Bassler, 2005). The mediators of this communication system are small, diffusible pheromones or autoinducers that are secreted by the bacte... aid1506.table aid1506.tbin
1507 4 Principal Investigator: Hattie D. Gresham, Ph.D. Grant: NIH 1X01MH078952-01 Screening Center: New Mexico Molecular Libraries Screening Center Assay Background and Significance Quorum sensing is a cell-to-cell communication system that permits members of a bacterial population to coordinate their behavior dependent on cell density (for review see Waters and Bassler, 2005). The mediators of this communication system are small, diffusible pheromones or autoinducers that are secreted by the bacte... aid1507.table aid1507.tbin
1508 4 Assay Provider: P. Jeffrey Conn Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of novel allosteric modulators of the M1 muscarinic receptor Grant Number: 1 R03 MH077606-01 The M1 muscarinic receptor is thought to be an important therapeutic target in schizophrenia. A cell-based fluorometric calcium assay was developed for high throughput screening. This assay was used to identify compounds with high selectivity for the M1 receptor subtype that act at an allosteric site ... aid1508.table aid1508.tbin
1509 218117 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Michael Oldstone, TSRI Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: U01 AI074564 Grant Proposal PI: Michael Oldstone, TSRI External Assay ID: S1P4_AG_BLA_1536_%ACT Name: Primary Cell-Based Assay to Identify Agonists of the Sphingosine 1-Phosphate Receptor 4 (S1P4) Description: Pandemic influenza repr... aid1509.table aid1509.tbin
1510 218117 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Michael Oldstone, TSRI Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: U01 AI074564 Grant Proposal PI: Michael Oldstone, TSRI External Assay ID: S1P4_ANT_BLA_1536_%INH Name: Primary Cell-Based Assay to Identify Antagonists of the Sphingosine 1-Phosphate Receptor 4 (S1P4) Description: Pandemic influenza... aid1510.table aid1510.tbin
1511 305679 Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Assay Provider: Dr. Sabina Kupershmidt, Vanderbilt University Medical Center Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1R03MH084820-01 Grant Proposal PI: Dr. Sabina Kupershmidt, Vanderbilt University Medical Center Assay Implementation: Beiyan Zou Ph.D., Shunyou Long M.S., Amy Scott M.S., Haibo Yu Ph.D., Meng Wu Ph... aid1511.table aid1511.tbin
1512 274 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Proposal Number: MH077602-01 Assay Provider: Dr. Jose Luis Millan, Sanford-Burnham Medical Research Institute, San Diego, CA. This PLAP dose response assay is developed and performed to confirm hits originally identified in the PLAP Luminescent HTS assay (AID 690) and to stu... aid1512.table aid1512.tbin
1513 238 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Proposal Number: MH081277-01 Assay Provider: John C. Reed, Sanford-Burnham Medical Research Institute, San Diego, CA This XIAP-Bir3 dose response assay is developed and performed as a counter screen for hits originally identified in the XIAP-Bir1/2 HTS binding assay (AID 101... aid1513.table aid1513.tbin
1514 4 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Proposal Number: MH081277-01 Assay Provider: John C. Reed, Sanford-Burnham Medical Research Institute, San Diego, CA This dose response assay is developed and performed as a counter screen to compounds in the Chemical Antagonists of IAP-family anti-apoptotic proteins confirm... aid1514.table aid1514.tbin
1515 218117 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Benjamin Cravatt, TSRI Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R01 CA087660-05 Fast Track Grant Proposal PI: Benjamin Cravatt, TSRI External Assay ID: RBBP9_INH_FP_1536_%INH Name: Primary biochemical high throughput screening assay to identify inhibitors of Retinoblastoma bin... aid1515.table aid1515.tbin
1516 31 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Hugh Rosen, TSRI Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R03 MH076533-01 Grant Proposal PI: Germana Sanna, TSRI External Assay ID: 5HT1E_ANT_BLA_384_IC50 CS Name: Counterscreen assay for S1P3 antagonists: Dose response cell-based high throughput screening assay to identify anta... aid1516.table aid1516.tbin
1517 759 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Raymond Deshaies, California Institute of Technology Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R03 MH085687-01 Grant Proposal PI: Raymond Deshaies, California Institute of Technology External Assay ID: p97_INH_Lumi_1536_3X%INH Name: Confirmation biochemical high-throughput screening ass... aid1517.table aid1517.tbin
1518 31 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Hugh Rosen, TSRI Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R03 MH076533-01 Grant Proposal PI: Germana Sanna, TSRI External Assay ID: S1P3_ANT_BLA_384_IC50 Name: Dose response cell-based high throughput screening assay for antagonists of the Sphingosine 1-Phosphate Receptor 3 (S1P... aid1518.table aid1518.tbin
1519 8868 NIH Molecular Libraries Probe Production Centers Network [MLPCN] NIH Chemical Genomics Center [NCGC] MLPCN Grant: TBA Assay Submitter (PI): Beller, Mathias; Max-Planck-Institut fur Biophysikalische Chemie NCGC Assay Overview: Storing lipids as a reservoir for energy or the anabolism of elementary metabolites is a common feature of probably all cells and is conserved from bacteria to humans. The universal cellular lipid storage organelle is the so-called lipid storage droplet (LD). Although ubiq... aid1519.table aid1519.tbin
1520 576 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Ross Levine, Memorial Sloan Kettering Cancer Center (MSKCC) Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R03 MH084174-01 Grant Proposal PI: Ross Levine, MSKCC External Assay ID: BAF3CYTOX_INH_LUMI_1536_3X%INH Name: Counterscreen for inhibitors of mutant JAK2V617F: Cell-based high t... aid1520.table aid1520.tbin
1521 576 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Ross Levine, Memorial Sloan Kettering Cancer Center (MSKCC) Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R03 MH084174-01 Grant Proposal PI: Ross Levine, MSKCC External Assay ID: JAK2V617F_INH_LUMI_1536_3X%INH Name: Confirmation cell-based high throughput screening assay for inhibi... aid1521.table aid1521.tbin
1522 118 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: David Ron, New York University Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number R03 MH082370-01 Grant Proposal PI: David Ron, New York University External Assay ID: PERK_INH_SEAP_1536_EC50 Name: Dose response cell-based high-throughput screening assay to measure PERK inhibition Descripti... aid1522.table aid1522.tbin
1523 737 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Michael Oldstone, TSRI Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number: U01 AI074564 Fast Track Grant Proposal PI: Michael Oldstone, TSRI External Assay ID: S1P4_AG_BLA_1536_3X%ACT Name: Confirmation cell-based high throughput assay for agonists of the Sphingosine 1-Phosphate Receptor 4 (... aid1523.table aid1523.tbin
1524 515 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Michael Oldstone, TSRI Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number: U01 AI074564 Fast Track Grant Proposal PI: Michael Oldstone, TSRI External Assay ID: S1P4_ANT_BLA_1536_3X%INH Name: Confirmation cell-based high throughput assay for antagonists of the Sphingosine 1-Phosphate Receptor... aid1524.table aid1524.tbin
1525 306 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Stefan Heller, Stanford University Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number 1 R03 MH083077-01 Grant Proposal PI: Stefan Heller , Stanford University External Assay ID: TRPN1_AG_Calcium_1536_3X%ACT CSRUN Name: Counterscreen assay for TRPML3 agonists: cell-based high-throughput scre... aid1525.table aid1525.tbin
1526 306 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Stefan Heller, Stanford University Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number 1 R03 MH083077-01 Grant Proposal PI: Stefan Heller , Stanford University External Assay ID: TRPML3_AG_Calcium_1536_3X%ACT Name: Confirmation cell-based high-throughput screening assay for agonists of the ... aid1526.table aid1526.tbin
1527 290893 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Peter Hodder, TSRI Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R21 NS059451-01 Fast Track Grant Proposal PI: Peter Hodder, TSRI External Assay ID: VIM-2_INH_EPIABS_1536_%INH Name: Primary biochemical high throughput screening assay to identify inhibitors of VIM-2 metallo-beta-la... aid1527.table aid1527.tbin
1528 118 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: David Ron, New York University Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number R03 MH082370-01 Grant Proposal PI: David Ron, New York University External Assay ID: PERK_INH_SEAP_1536_EC50 6HR CS Name: Counterscreen assay for PERK inhibitors: Dose response cell-based high throughput scre... aid1528.table aid1528.tbin
1529 289974 University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain Interaction PI: Kazuhiro Nakamura, Ph.D Center PI: Larry Sklar, Ph.D Assay Implementatiion: Zurab Surviladze Ph.D, Mark Haynes Ph.D, Anna Waller Ph.D, Mark Carter MS Assay Background and Significance: PB1 (Phox/Bem1p) domains function as protein-protein interaction sites by forming PB1-PB1 domain heterodimers (Moscat, et al. 2006). There are at... aid1529.table aid1529.tbin
1530 289939 University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain Interaction PI: Kazuhiro Nakamura, Ph.D Center PI: Larry Sklar, Ph.D Assay Implementatiion: Zurab Surviladze Ph.D, Mark Haynes Ph.D, Anna Waller Ph.D, Mark Carter MS Assay Background and Significance: PB1 (Phox/Bem1p) domains function as protein-protein interaction sites by forming PB1-PB1 domain heterodimers (Moscat, et al. 2006). There are at... aid1530.table aid1530.tbin
1531 289866 University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain Interaction PI: Kazuhiro Nakamura, Ph.D Center PI: Larry Sklar, Ph.D Assay Implementatiion: Zurab Surviladze Ph.D, Mark Haynes Ph.D, Anna Waller Ph.D, Mark Carter MS Assay Background and Significance: PB1 (Phox/Bem1p) domains function as protein-protein interaction sites by forming PB1-PB1 domain heterodimers (Moscat, et al. 2006). There are at... aid1531.table aid1531.tbin
1532 106289 Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Michael McNeil, Colorado State University, Fort Collins, CO MLSCN Grant: DA024889-01 This screen is for compounds that have the potential to be developed into new drugs against tuberculosis (TB) because they inhibit the enzymes required for the formation of the cell wall of the tuberculosis bacterium. New drugs are needed because the rate of cure with the present drugs is very slow, and ... aid1532.table aid1532.tbin
1533 158970 Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Michael McNeil, Colorado State University, Fort Collins, CO MLSCN Grant: DA024889-01 This screen is for compounds that have the potential to be developed into new drugs against tuberculosis (TB) because they inhibit the enzymes required for the formation of the cell wall of the tuberculosis bacterium. New drugs are needed because the rate of cure with the present drugs is very slow, and ... aid1533.table aid1533.tbin
1534 54 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Raymond Deshaies, California Institute of Technology Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R03 MH085687-01 Grant Proposal PI: Raymond Deshaies, California Institute of Technology External Assay ID: p97_INH_Lumi_384_IC50 Name: Dose response biochemical high throughput screening assay... aid1534.table aid1534.tbin
1535 202 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: R03 MH082386-01 Assay Provider: Dr. Hudson H. Freeze, Sanford-Burnham Medical Research Institute, San Diego, CA Congenital Disorders of Glycosylation (CDG) are autosomal recessive defects in the synthesis of N-linked oligosaccharide chains. CDG group I (CDG-I) defect... aid1535.table aid1535.tbin
1536 16 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: R03 MH082386-01 Assay Provider: Dr. Hudson H. Freeze, Sanford-Burnham Medical Research Institute, San Diego, CA Congenital Disorders of Glycosylation (CDG) are autosomal recessive defects in the synthesis of N-linked oligosaccharide chains. CDG group I (CDG-I) defect... aid1536.table aid1536.tbin
1537 408 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Benjamin Cravatt, TSRI Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R01 CA087660-05 Fast Track Grant Proposal PI: Benjamin Cravatt, TSRI External Assay ID: RBBP9_INH_FP_1536_3X%INH Name: Confirmation biochemical high throughput screening assay for inhibitors of Retinoblastoma bind... aid1537.table aid1537.tbin
1538 77 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Stefan Heller, Stanford University Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number 1 R03 MH083077-01 Grant Proposal PI: Stefan Heller , Stanford University External Assay ID: TRPN1_AG_Calcium_1536_EC50 Name: Dose response cell-based high-throughput screening assay for agonists of the tr... aid1538.table aid1538.tbin
1539 453 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Patricia McDonald, Scripps Florida Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number 1 R21 NS056950-01 Grant Proposal PI: Claes Wahlestedt External Assay ID: NPY-Y2_POT_CNGC_1536_3X%ACT Name: Confirmation cell-based high-throughput screening assay for potentiators or agonists of NPY-Y2 Desc... aid1539.table aid1539.tbin
1540 165 Confirmatory assay NIH Chemical Genomics Center [NCGC] Matthew G. Vander Heiden, M.D., Ph.D. [Harvard Medical School, 77 Avenue Louis Pasteur, Boston, MA 02115] NCGC Assay Overview: Human pyruvate kinase muscle 2 (hPK-M2)enzyme was supplied as a highly purified (>95% pure) preparation from Harvard Medical School and a secondary assay was used to evaluate compounds. This assay couples the formation of pyruvate from hPK-M2 using lactate dehydrogenase (LDH) and NADH. The depletion of NADH is foll... aid1540.table aid1540.tbin
1541 120 Confirmatory assay NIH Chemical Genomics Center [NCGC] Matthew G. Vander Heiden, M.D., Ph.D. [Harvard Medical School, 77 Avenue Louis Pasteur, Boston, MA 02115] NCGC Assay Overview: Human pyruvate kinase liver (hPK-L)enzyme was supplied as a highly purified (>95% pure) preparation from Harvard Medical School and a secondary assay was used to evaluate compounds. This assay couples the formation of pyruvate from hPK-R using lactate dehydrogenase (LDH) and NADH. The depletion of NADH is followed i... aid1541.table aid1541.tbin
1542 131 Confirmatory assay NIH Chemical Genomics Center [NCGC] Matthew G. Vander Heiden, M.D., Ph.D. [Harvard Medical School, 77 Avenue Louis Pasteur, Boston, MA 02115] NCGC Assay Overview: Human pyruvate kinase liver (hPK-M1)enzyme was supplied as a highly purified (>95% pure) preparation from Harvard Medical School and a secondary assay was used to evaluate compounds. This assay couples the formation of pyruvate from hPK-R using lactate dehydrogenase (LDH) and NADH. The depletion of NADH is followed ... aid1542.table aid1542.tbin
1543 108 Confirmatory assay NIH Chemical Genomics Center [NCGC] Wael M. Rabeh, Lyudmila Nedyalkova and Hee-Wan Park [Structural Genomics Consortium, 100 College St. Toronto, Ontario, Canada] NCGC Assay Overview: Human pyruvate kinase reticulocyte (hPK-R) enzyme was supplied as a highly purified (>95% pure) preparation from Structural Genomics Consortium in Toronto (Ontario, Canada) and a secondary assay was used to evaluate compounds. This assay couples the formation of pyruvate from hPK-R using lactate... aid1543.table aid1543.tbin
1544 54 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Raymond Deshaies, California Institute of Technology Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R03 MH085687-01 Grant Proposal PI: Raymond Deshaies, California Institute of Technology External Assay ID: P97C522A_INH_LUMI_384_IC50 CS Name: Luminescence counterscreen assay for p97 inhibit... aid1544.table aid1544.tbin
1545 2 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: R03 MH082386-01 Assay Provider: Dr. Hudson H. Freeze, Sanford-Burnham Medical Research Institute, San Diego, CA Congenital Disorders of Glycosylation (CDG) are autosomal recessive defects in the synthesis of N-linked oligosaccharide chains. CDG group I (CDG-I) defect... aid1545.table aid1545.tbin
1546 281 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Claes Wahlestedt, Scripps Florida Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number 1 R21 NS056950-01 Grant Proposal PI: Claes Wahlestedt External Assay ID: NPY-Y1_POT_CNGC_1536_3X%ACT Name: Confirmation cell-based high-throughput screening assay for potentiators or agonists of NPY-Y1 Descr... aid1546.table aid1546.tbin
1547 1 Data Source: University of Maryland BioAssay Type: Secondary Description: NIH Molecular Libraries Probe Production Centers Network [MLPCN] NIH Chemical Genomics Center [NCGC] Assay Submitter (PI): Carole Sztalryd; GRECC/Geriatrics, Veterans Affairs Medical Center, Department of Medicine, School of Medicine, University of Maryland, Baltimore, Maryland, USA. Beller, Mathias; Max-Planck-Institut fur Biophysikalische Chemie, Germany. NCGC Assay Overview: Storing lipids as a reservoir for energy ... aid1547.table aid1547.tbin
1548 2 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Proposal Number: 1R03 MH082385-01 Assay Providers: Drs. Jose Luis Millan and Eduard Sergienko, Sanford-Burnham Medical Research Institute, San Diego, CA. Alkaline phosphatases (EC 3.1.3.1) (APs) catalyze the hydrolysis of phosphomonoesters, releasing phosphate and alcohol. A... aid1548.table aid1548.tbin
1549 3677 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: R03MH082366 Assay Provider: Dr. Maurizio Pellecchia, Sanford-Burnham Medical Research Institute Of the current available drugs against influenza A virus, two target the M2 proton channel [1]. These are the adamantane-based compounds Amantadine and its close analogu... aid1549.table aid1549.tbin
1550 6 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number: X01 MH083230-01 Assay Provider: Dr. John Bushweller, University of Virginia Charlottesville, Charlottesville VA The protein-protein interaction between the subunits of the heterodimeric transcription factor CBF, core binding factor beta(CBFb) and Runx1 (CBFa), play... aid1550.table aid1550.tbin
1551 16 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Raymond Deshaies, California Institute of Technology Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R03 MH085687-01 Grant Proposal PI: Raymond Deshaies, California Institute of Technology External Assay ID: P97ATP_INH_LUMI_384_IC50_SAR_round1 Name: Luminescence dose response biochem... aid1551.table aid1551.tbin
1552 3677 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: XO1 MH078942 Assay Provider: Dr. Maurizio Pellecchia, Sanford-Burnham Medical Research Institute The ubiquitin-proteasome system has won the reputation of the cellular recycling center that degraded aggregated or misfolded proteins in the cell (ref. [1] and referenc... aid1552.table aid1552.tbin
1553 90 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: R03 MH082386-01 Assay Provider: Dr. Hudson H. Freeze, Sanford-Burnham Medical Research Institute, San Diego, CA Congenital Disorders of Glycosylation (CDG) are autosomal recessive defects in the synthesis of N-linked oligosaccharide chains. CDG group I (CDG-I) defect... aid1553.table aid1553.tbin
1554 303344 Broad Institute MLPCN Ras Selective Lethality Project Project ID: 2013 Keywords: Ras, apoptosis, cancer, VDAC, oxidative cell death Primary Collaborators: Brent Stockwell, Columbia University, 614 Fairchild Center, MC 2406, 1212 Amesterdam Ave, New York, NY 10027, bs2189@columbia.edu, 212.854.2948 Dan Zaharevitz, NCI Science Officer, zaharevd@mail.nih.gov Project Overview: The goal of the project is to identify small molecules in the MLSMR and related compound synthesized through follow-up... aid1554.table aid1554.tbin
1555 1 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, Lake Nona, FL) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Proposal Number: Assay Provider: Dr. Layton Smith, Sanford-Burnham Medical Research Institute This assay was established to measure the extent of potential hepatic metabolism of compounds. Liver microsomes consist mainly of endoplasmatic reticulum, contain many drug-metabol... aid1555.table aid1555.tbin
1556 290893 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Peter Hodder, TSRI Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R21 NS059451-01 Fast Track Grant Proposal PI: Peter Hodder, TSRI External Assay ID: IMP-1_INH_EPIABS_1536_%INH Name: Fluorescence primary biochemical high throughput screening assay to identify inhibitors of IMP-1 meta... aid1556.table aid1556.tbin
1557 1 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, Lake Nona, FL) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: Assay Provider: Dr. Layton Smith, Sanford-Burnham Medical Research Institute Evaluating compound permeability through cell a monolayer is a good indication of intestinal permeability and oral bioavailability. The parallel artificial membrane permeabi... aid1557.table aid1557.tbin
1558 138 NIH Molecular Libraries Probe Production Network [MLPCN] NIH Chemical Genomics Center [NCGC] MLPCN Grant: X01 MH083262-01 Assay Provider: Carlo Ballatore, University of Pennsylvania NCGC Assay Overview: The microtubule-associated protein tau is an abundant protein in the axons of neurons that stabilizes microtubules. With its ability to modulate microtubule dynamics, tau contributes directly or indirectly, to key structural and regulatory cellular functions. Particularly important is the influ... aid1558.table aid1558.tbin
1559 138 NIH Molecular Libraries Probe Production Network [MLPCN] NIH Chemical Genomics Center [NCGC] MLPCN Grant: X01 MH083262-01 Assay Provider: Carlo Ballatore, University of Pennsylvania NCGC Assay Overview: The microtubule-associated protein tau is an abundant protein in the axons of neurons that stabilizes microtubules. With its ability to modulate microtubule dynamics, tau contributes directly or indirectly, to key structural and regulatory cellular functions. Particularly important is the influ... aid1559.table aid1559.tbin
1560 13 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number: X01 MH083230-01 Assay Provider: Dr. John Bushweller, University of Virginia Charlottesville, Charlottesville VA The protein-protein interaction between the subunits of the heterodimeric transcription factor CBF, core binding factor beta (CBFb) and Runx1 (CBFa), pla... aid1560.table aid1560.tbin
1561 1 NIH Molecular Libraries Probe Production Centers Network [MLPCN] NIH Chemical Genomics Center [NCGC] MLPCN Grant: TBA Assay Submitter (PI): Beller, Mathias; Max-Planck-Institut fur Biophysikalische Chemie, Germany. NCGC Assay Overview: Storing lipids as a reservoir for energy or the anabolism of elementary metabolites is a common feature of probably all cells and is conserved from bacteria to humans. The universal cellular lipid storage organelle is the so-called lipid storage droplet (LD). Alt... aid1561.table aid1561.tbin
1562 188 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Stefan Heller, Stanford University Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number 1 R03 MH083077-01 Grant Proposal PI: Stefan Heller , Stanford University External Assay ID: TRPML3_AG_Calcium_1536_EC50 Name: Dose response cell-based high-throughput screening assay for agonists of the tr... aid1562.table aid1562.tbin
1563 737 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Michael Oldstone, TSRI Network: Molecular Library Probe Production Center Network (MLPCN) Grant Proposal Number: U01 AI074564 Fast Track Grant Proposal PI: Michael Oldstone, TSRI External Assay ID: S1P1_AG_BLA_1536_3X%ACT Counterscreen Name: Counterscreen assay for S1P4 agonists: Cell-based high throughput screening assay to iden... aid1563.table aid1563.tbin
1564 515 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Michael Oldstone, TSRI Network: Molecular Library Probe Production Center Network (MLPCN) Grant Proposal Number: U01 AI074564 Fast Track Grant Proposal PI: Michael Oldstone, TSRI External Assay ID: S1P1_ANT_BLA_1536_3X%ACT Counterscreen Name: Counterscreen assay for S1P4 antagonists: Cell-based high throughput screening assay to... aid1564.table aid1564.tbin
1565 288481 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number: 1 R03 MH084086-01 Assay Provider: Dr. Jose Luis Milan, Sanford-Burnham Medical Research Institute, San Diego CA Mineralization of cartilage and bone occurs by a series of physicochemical and biochemical processes that together facilitate the deposition of hydroxyap... aid1565.table aid1565.tbin
1566 292486 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1 R03 MH084844-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute, San Diego CA The modulation of immune response activity is one of the major goals in the development of novel therapeutics for auto-immune and inflammatory diseases... aid1566.table aid1566.tbin
1567 103 NIH Molecular Libraries Probe Production Network [MLPCN] NIH Chemical Genomics Center [NCGC] MLPCN Grant: DK058080 Assay Provider: R. Kip Guy, St. Jude Children's Research Hospital NCGC Assay Overview: Thyroid receptor (TR) regulates many homeostatic processes including basal metabolism, cardiovascular function, body weight, and lipid trafficking. TR modulators are potential therapeutics for obesity and hyperlipidemias but current thyroid analogs have undesirable side effects, particularly car... aid1567.table aid1567.tbin
1568 103 NIH Molecular Libraries Probe Production Network [MLPCN] NIH Chemical Genomics Center [NCGC] MLPCN Grant: DK058080 Assay Provider: R. Kip Guy, St. Jude Children's Research Hospital NCGC Assay Overview: Thyroid receptor (TR) regulates many homeostatic processes including basal metabolism, cardiovascular function, body weight, and lipid trafficking. TR modulators are potential therapeutics for obesity and hyperlipidemias but current thyroid analogs have undesirable side effects, particularly car... aid1568.table aid1568.tbin
1569 749 NIH Molecular Libraries Probe Production Centers Network [MLPCN] NIH Chemical Genomics Center [NCGC] MLPCN Grant: 1 R03 MH085686-01 Assay Submitter (PI): Beller, Mathias; Max-Planck-Institut fur Biophysikalische Chemie NCGC Assay Overview: Storing lipids as a reservoir for energy or the anabolism of elementary metabolites is a common feature of probably all cells and is conserved from bacteria to humans. The universal cellular lipid storage organelle is the so-called lipid storage droplet (LD).... aid1569.table aid1569.tbin
1570 112 NIH Molecular Libraries Probe Production Network [MLPCN] NIH Chemical Genomics Center [NCGC] MLPCN Grant: DK058080 Assay Provider: R. Kip Guy, St. Jude Children's Research Hospital NCGC Assay Overview: Thyroid receptor (TR) regulates many homeostatic processes including basal metabolism, cardiovascular function, body weight, and lipid trafficking. TR modulators are potential therapeutics for obesity and hyperlipidemias but current thyroid analogs have undesirable side effects, particularly card... aid1570.table aid1570.tbin
1571 112 NIH Molecular Libraries Probe Production Network [MLPCN] NIH Chemical Genomics Center [NCGC] MLPCN Grant: DK058080 Assay Provider: R. Kip Guy, St. Jude Children's Research Hospital NCGC Assay Overview: Thyroid receptor (TR) regulates many homeostatic processes including basal metabolism, cardiovascular function, body weight, and lipid trafficking. TR modulators are potential therapeutics for obesity and hyperlipidemias but current thyroid analogs have undesirable side effects, particularly card... aid1571.table aid1571.tbin
1572 112 NIH Molecular Libraries Probe Production Network [MLPCN] NIH Chemical Genomics Center [NCGC] MLPCN Grant: DK058080 Assay Provider: R. Kip Guy, St. Jude Children's Research Hospital NCGC Assay Overview: Thyroid receptor (TR) regulates many homeostatic processes including basal metabolism, cardiovascular function, body weight, and lipid trafficking. TR modulators are potential therapeutics for obesity and hyperlipidemias but current thyroid analogs have undesirable side effects, particularly card... aid1572.table aid1572.tbin
1573 112 NIH Molecular Libraries Probe Production Network [MLPCN] NIH Chemical Genomics Center [NCGC] MLPCN Grant: DK058080 Assay Provider: R. Kip Guy, St. Jude Children's Research Hospital NCGC Assay Overview: Thyroid receptor (TR) regulates many homeostatic processes including basal metabolism, cardiovascular function, body weight, and lipid trafficking. TR modulators are potential therapeutics for obesity and hyperlipidemias but current thyroid analogs have undesirable side effects, particularly card... aid1573.table aid1573.tbin
1574 1 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1 R03 MH084086-01 Assay Provider: Dr. Jose Luis Milan, Sanford-Burnham Medical Research Institute, San Diego CA Mineralization of cartilage and bone occurs by a series of physicochemical and biochemical processes that together facilitate the deposition of... aid1574.table aid1574.tbin
1575 2 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1 R03 MH084844-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute, San Diego, CA The modulation of immune response activity is one of the major goals in the development of novel therapeutics for auto-immune and inflammatory disea... aid1575.table aid1575.tbin
1576 278 This study was conducted by EPA researchers to evaluate the validity of the rat uterine cytosolic (RUC) estrogen receptor (ER) competitive binding assay for use in the Endocrine Disruption Screening Program (EDSP). The assay measures the ability of radiolabeled 17-beta-estradiol (3H-E2) to bind with RUC ER in the presence of increasing concentrations of a test chemical. The goal is to employ this in vitro assay as a 1st tier screening tool for assessing the potential of structurally diverse envir... aid1576.table aid1576.tbin
1577 2 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Proposal Number: MH077602-01 Assay Provider: Dr. Jose Luis Millan, Sanford-Burnham Medical Research Institute, San Diego, CA. Alkaline phosphatase (EC 3.1.3.1) (APs) catalyze the hydrolysis of phosphomonoesters, releasing phosphate and alcohol. APs are dimeric enzymes found ... aid1577.table aid1577.tbin
1578 289584 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1 R03 MH084844-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute, San Diego CA The modulation of immune response activity is one of the major goals in the development of novel therapeutics for auto-immune and inflammatory diseas... aid1578.table aid1578.tbin
1579 1 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1 R03 MH084844-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute, San Diego CA The modulation of immune response activity is one of the major goals in the development of novel therapeutics for auto-immune and inflammatory diseases... aid1579.table aid1579.tbin
1580 1040 Screen for compounds that inhibit mitochondrial permeability transition. Disease: Huntington's Disease, ALS, Stroke, AD. The mitochondrial permeability transition may contribute to cell death in multiple neurodegenerative conditions aid1580.table aid1580.tbin
1581 1040 Disease: Neurodegeneration Rationale: Par4 is an emerging pivotal player that is well established as a mediator of neuronal degeneration in diseases such as: Alzheimer's, Parkinson's, Huntington's, amyotrophic lateral sclerosis, stroke and epileptic seizures. Par4 has been identified as a binding protein of the atypical protein kinase Cs (aPKC). Atypical PKCs play a critical role in regulation of the transcription factor NF-micro B, whose activity is required for neuronal survival. Formation of ... aid1581.table aid1581.tbin
1582 1040 Disease: Huntington's Disease Rationale: Huntington's Disease is a late onset neurodegenerative disease caused by expression of expanded polyglutamine tracts. A number of experimental models indicate that inhibition of histone acetyltranferase activity by expanded polyglutamine may be a primary cause of polyglutamine toxicity. Furthermore, application of histone deacetylase (HDAC) inhibitors have been shown to reduce polyglutamine toxicity in experimental models. In order to discover novel HDAC ... aid1582.table aid1582.tbin
1583 1040 This Assay identifies inhibitors of polyglutamine-induced caspase-3 activation. Spinal and Bulbar Muscular Atrophy (SBMA) is an X-linked recessive neurodegenerative disorder due to an expansion of the CAG triplet repeat sequence within exon 1 of the androgen receptor gene. Evidence indicates that expression of the androgen receptor with an expanded polyglutamine stretch induces apoptosis in culture cells.The androgen receptor is cleaved by caspase-3 and it has been proposed that caspase cleavage... aid1583.table aid1583.tbin
1584 1040 Disease: Huntington's disease Rationale: Huntington's disease (HD) is caused by an expanded CAG repeat encoding at a tract of consecutive glutamines near the N-terminus of huntingtin. The hypothesis that a conformational property capable of promoting aggregation is the crucial element in triggering HD pathogenesis leads directly to the notion that compounds that affect this property could have therapeutic potential. At present, it is uncertain whether the initiator of pathogenesis involves an in... aid1584.table aid1584.tbin
1585 1040 Disease: Huntington's Disease (HD) Rationale: Expanded polyglutamine (polyGln) diseases like Huntington's disease (HD) are typified by the formation and accumulation of the polyGln disease-related protein into insoluble aggregates in the nucleus and/or in the cytoplasm of the affected neurons. Given the potential role of polyGln aggregates and polyGln aggregate extension in the pathogenesis of expanded CAG repeat diseases, we developed a 96-well screening assay for polyGln aggregation inhibitors... aid1585.table aid1585.tbin
1586 1040 Disease: Huntington's Disease Rationale: The goal has been to develop a yeast 2-hybrid interaction which depends on interactions between polyglutamine-containing proteins. For this purpose, a set of six plasmids was constructed, each of which expresses a fusion of the first exon of huntingtin with GFP. This unit is followed by either a lexA DNA binding domain or by an artificial activation domain. In the huntingtin sequences, there were either 0, 25 or 103 glutamine residues. Expression from the... aid1586.table aid1586.tbin
1587 1040 Disease: Amyotrophic Lateral Sclerosis (ALS) Rationale: Amyotrophic Lateral Sclerosis (ALS) is the most common motor neuron disease in adults. Selective killing of motor neurons initiates a progressive paralysis in mid-life and is generally fatal within 1-5 years of onset. Several hypotheses for mechanisms that provoke or contribute to motor neuron death in ALS have been put forward. Mishandling of L-glutamate, the primary excitatory neurotransmitter in the mammalian CNS, results in repetitive m... aid1587.table aid1587.tbin
1588 1040 Disease: Polyglutamine repeat diseases including Huntington's disease Rationale: There are eight known diseases caused by an expansion in the polyglutamine region of specific proteins. The diseases include Huntington's disease, Spino-cerebellar ataxias, and Spino-bulbar muscular atrophies. They are all autosomal-dominant, late-onset neurodegenerative diseases characterized by neuronal death and the formation of protein aggregates. The pathogenesis of the diseases correlates with the number of re... aid1588.table aid1588.tbin
1589 1040 Disease: Polyglutamine Rationale: Intracellular inclusions are a common pathological hallmark of polyglutamine diseases, and are believed to reflect conformational abnormalities of the protein. Some cell-based models, including the differentiated PC12 neuralcells used in our assays, show inclusion formation that correlates with cytotoxicity. Moreover, genes that block toxicity in our cell-based system also reduce inclusion formation. In addition, genetic suppressors of polyQ toxicity in a fly mo... aid1589.table aid1589.tbin
1590 1040 Disease: Huntington's disease Rationale: Neuronal cell death in HD is a major cause of disability and is believed to be largely a dominant cell autonomous effect of the mutant huntingtin protein. The toxic species may be an N-terminal fragment of huntingtin. We have produced a cell model involving toxicity caused by expression of the N-terminal portion of huntingtin with an expanded repeat. Signal Type: smaller is better Literature Reference: Following the protocol of Cytotoxicity Detection ki... aid1590.table aid1590.tbin
1591 1 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, Lake Nona, FL) Network: NIH Molecular Libraries Probe Production Network (MLPCN) Grant Proposal Number: Assay Provider: Dr. Layton Smith, Sanford-Burnham Medical Research Institute The stability of test compounds in plasma is an important parameter, which not only affects in vivo results, but also the bioanalytical assay strategy and design. Investigation of p... aid1591.table aid1591.tbin
1592 1 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, Lake Nona, FL) Network: NIH Molecular Libraries Probe Production Network (MLPCN) Grant Proposal Number: Assay Provider: Dr. Layton Smith, Sanford-Burnham Medical Research Institute The stability of test compounds in plasma is an important parameter, which not only affects in vivo results, but also the bioanalytical assay strategy and design. Investigation of p... aid1592.table aid1592.tbin
1593 1040 Huntington's Disease is a late onset neurodegenerative disease caused by expression of an expanded polyglutamine tract. A great deal of experimental evidence indicates that expanded polyglutamine tracts have an enhanced propensity for aggregation, and that this property is related to expanded polylgutamine toxicity. It is therefore of interest to discover compounds that can influence polyglutamine aggregation. We have observed that expression of an expanded polyglutamine-tub1 fusion protein is to... aid1593.table aid1593.tbin
1594 1040 Disease: Amyotrophic Lateral Sclerosis Rationale: Amyotrophic lateral sclerosis is a neurodegenerative disease characterized by specific loss of upper and lower motor neurons. The pathogenic mechanisms behind the disease remain unknown. Yet, one frequent feature is that most patients demonstrate an increase in glutamate concentration in the cerebrospinal fluid. Increased glutamate is associated with excitotoxic neuronal death and patients that respond to therapy by decreasing glutamate in the CS... aid1594.table aid1594.tbin
1595 1040 Disease: Spinalcerebellar ataxia type I Rationale: Spinocerebellar ataxia type 1 (SCA1) is one of the polyglutamine diseases whose study has contributed more significantly to the understanding of the mechanisms of pathogenesis during neurodegeneration. This is, in part, because of elegant studies using SCA1 mouse models that faithfully recapitulate the disease. We generated a Drosophila model of SCA1 expressing the human full-length expanded (pathogenic) protein. These animals show all the hallm... aid1595.table aid1595.tbin
1596 1040 Protection from expanded polyglutamine huntingtin toxicity in PC12 cells. Assay Type: mammalian cell-based viability assay/LDH release. Disease: Huntington's Disease. Rationale: The exon 1 region of huntingtin containing an expanded polygluatamine repeat (Q103) kills 50% of PC12 cells within 48 hrs after inducing HttQ103 expression with tebufenozide, an ecdysone analog. This assay screens for compounds that prevent this HttQ103-induced cell death. We monitor cell death by measuring release of LD... aid1596.table aid1596.tbin
1597 1040 Disease: Spinalcerebellar ataxia type I Rationale: Spinocerebellar ataxia type 1 (SCA1) is one of the polyglutamine diseases whose study has contributed more significantly to the understanding of the mechanisms of pathogenesis during neurodegeneration. This is, in part, because of elegant studies using SCA1 mouse models that faithfully recapitulate the disease. We generated a Drosophila model of SCA1 expressing the human full-length expanded (pathogenic) protein. These animals show all the hallm... aid1597.table aid1597.tbin
1598 1040 Disease: Spinal Muscular Atrophy Rationale: Spinal Muscular Atrophy is a pediatric genetic disease that results from homozygous deletion of the SMN1 gene. Patients have a second gene, SMN2, that is closely related in sequence to SMN1 and encodes the same SMN protein. However, the SMN2 gene is alternatively spliced, producing 30% of the full length mRNA and 70% of am mRNA species that excludes exon 7. Compounds that increase the frequency with which exon 7 is included into the SMN2 mRNA cause a c... aid1598.table aid1598.tbin
1599 1040 Huntington's disease (HD) is a dominant neurodegenerative disease that results from the presence of a CAG expansion, encoding expanded polyglutamines (polyQ), in the first exon of the huntingtin gene. HD results in selective neuronal loss within the striatum and various cortical areas. HD pathogenesis appears to be initiated by the formation of N-terminal fragments of polyQ-expanded huntingtin. Before cell death, cell dysfunction could significantly contribute to the early stages of the disease a... aid1599.table aid1599.tbin
1600 1040 Disease: Parkinson's Disease Rationale: Parkinson's Disease (PD) is a neurodegenerative disease characterized by the loss of dopaminergic neurons in the substantia nigra of the brain. The neuropathological hallmarks of PD are the so called Lewy bodies (LB). These consist of proteinacious inclusions mainly composed of the pre-synaptic protein alpha-synuclein (aSyn). aSyn has been associated both with sporadic and familial cases of PD. In the latter, two mutations have been identified - Ala53Thr a... aid1600.table aid1600.tbin
1601 1040 Disease: Amyotrophic Lateral Sclerosis Rationale: Over the last four years Drs. Robert H. Brown, Jr. and Piera Pasinelli, at the Cecil B. Day Laboratory for Neuromuscular Research, have conducted a series of studies to characterize the cell death process triggered by mutant SOD1 proteins which have lead to the observation that oxidatively triggered cell death mediated by mutant SOD1 entails sequential activation of caspases-1 and then 3. As a by-product of these studies, Drs. Brown and Pasinelli... aid1601.table aid1601.tbin
1602 1040 Disease: Amyotrophic Lateral Sclerosis Rationale: Mutations in the gene SOD1, encoding the antioxidant CuZnSOD, are found in a subset of patients with the familial form of ALS. Using an in vitro model, our laboratory has demonstrated that expression of mutant SOD1 by replication-deficient adenovirus kills neuroblastoma cells, in and of itself, without an additional oxidative stress aid1602.table aid1602.tbin
1603 1040 Cytochrome c release from the mitochondria into the cytoplasm is a potent physiologic stimulus for caspase-9 and caspase-3 activation. Cytochrome c release is a shared feature of many neurologic disorders, including acute forms such as stroke as well as chronic forms such as amyotrophic lateral sclerosis. Many factors could lead to cytochrome c release from mitochondria, such as Ca2+, reactive oxygen species and Bid/tBid protein in vitro and in vivo. We have developed an in vitro assay of cytochr... aid1603.table aid1603.tbin
1604 1040 Huntington's disease is a genetic disorder associated with polyglutamine expansion. Increasing lengths of polyglutamines cause protein aggregation, and other cellular events, that are believed to contribute to neurodegeneration and neurophysiological abnormalities. We have generated stable lines of human neural SY5Y cells that stably express 19 glutamines or 56 glutamines, linked to green fluorescent protein (GFP). Twenty four hours following a 2 hour heat shock (43 Celsius degrees), the cells wi... aid1604.table aid1604.tbin
1605 1040 Amyotrophic Lateral Sclerosis (ALS) is a progressive fatal paralytic disorder of unknown cause involving degeneration of motor neurons (MNs) of the brain and spinal cord. Approximately 10% of ALS cases are autosomal dominantly inherited and referred to as FALS. Some cases of FALS have been linked tochromosome 21, and about 70 different single site mutations have been identified in the SOD1 gene in FALS patients. Our previous studiesshowed that replication defective adenovirus mediated expression ... aid1605.table aid1605.tbin
1606 1040 Disease: Huntington's Disease Rationale: The exon 1 region of huntingtin containing an expanded polygluatamine repeat (Q103) kills 50% of PC12 cells within 48 hrs after inducing HttQ103 expression with tebufenozide, an ecdysone analog. This assay screens for compounds that prevent this HttQ103-induced cell death. We monitor cell death by measuring release of LDH (lactic acid dehydrogenase) into the growth medium, and score as positive those drugs that prevent this release. Signal Type: bigger is ... aid1606.table aid1606.tbin
1607 1040 Spinal and Bulbar Muscular Atrophy is an adult-onset neurodegenerative disease caused by the expansion of a polyglutamine tract within the androgen receptor (AR) protein. The accumulation of the mutant, expanded protein leads to the dysfunction and uL. imate death of spinal and brainstem motor neurons. The accumulation of mutant AR protein, observed cytologically as neuronal intranuclear inclusions (NII), is further evidenced by an extended half-life of the mutant protein. Co-expression of molecu... aid1607.table aid1607.tbin
1608 1040 The exon 1 region of huntingtin containing an expanded polygluatamine repeat (Q103) kills 50% of PC12 cells within 48 hrs after inducing HttQ103 expression with tebufenozide, an ecdysone analog. This assay screens for compounds that prevent this HttQ103-induced cell death. We monitor cell death by measuring release of LDH (lactic acid dehydrogenase) into the growth medium, and score as positive those drugs that prevent this release. aid1608.table aid1608.tbin
1609 1040 The exon 1 region of huntingtin containing an expanded polygluatamine repeat (Q103) kills 50% of PC12 cells within 48 hrs after inducing HttQ103 expression with tebufenozide, an ecdysone analog. This assay screens for compounds that prevent this HttQ103-induced cell death. We monitor cell death by measuring release of LDH (lactic acid dehydrogenase) into the growth medium, and score as positive those drugs that prevent this release. aid1609.table aid1609.tbin
1610 1040 Disease: Huntington's Disease Rationale: The exon 1 region of huntingtin containing an expanded polygluatamine repeat (Q103) kills 50% of PC12 cells within 48 hrs after inducing HttQ103 expression with tebufenozide, an ecdysone analog. This assay screens for compounds that prevent this HttQ103-induced cell death. We monitor cell death by measuring release of LDH (lactic acid dehydrogenase) into the growth medium, and score as positive those drugs that prevent this release. Signal Type: bigger i... aid1610.table aid1610.tbin
1611 283 Molecular chaperones including Hsp70 and Hdj1 have been shown to prevent or reverse the cellular toxicity associated with Huntington's Disease and ALS in various model systems. The expression of both genes is regulated by the heat shock response mediated by activation of heat shock transcription factor which binds to the heat shock promoter element. We have performed a secondary screen of the positives emanating from the NINDS primary screen using HeLa cells containing a human Hsp70 promoter fuse... aid1611.table aid1611.tbin
1612 1040 Harmful overstimulation of glutamate receptors (excitotoxicity) has been suggested to be important in motor neuron disease via: (i) increased glutamate levels (e.g. due to reduced uptake) or (ii) increased sensitivity to endogenous excitatory amino acids (e.g. because of changed glutamate receptors). Reduced uptake of glutamate as measured by uptake studies in synaptosomes or by sodium dependent binding of D-aspartate has been observed in autopsy material from patients with ALS. This reduced upta... aid1612.table aid1612.tbin
1613 1040 Amyotrophic Lateral Sclerosis is a progressive paralytic disorder resulting from the degeneration of motor neurons in the cortex, brain stem and spinal cord. 90% of the cases are sporadic and the rest is familial cases. About 10-20% of FALS cases are caused by missense mutation in the SOD1 gene, which encodes the cytoplasmic Cu, Zn superoxide dismutase. Mice expressing human FALS-linked SOD1 gene develop age dependent ALS-like disorder characterized by degeneration of spinal cord motor neurons. A... aid1613.table aid1613.tbin
1614 1040 Intracellular inclusions are a common pathological hallmark of polyglutaminediseases, and are believed to reflect conformational abnormalities of the protein. Some cell-based models, including the differentiated PC12 neural cells used in our assays, show inclusion formation that correlates with cytotoxicity. Moreover, genes that block toxicity in our cell-based system also reduce inclusion formation. In addition, genetic suppressors of polyQ toxicity in a fly model of disease increase the solubil... aid1614.table aid1614.tbin
1615 1 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, Lake Nona, FL) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: Assay Provider: Dr. Layton Smith, Sanford-Burnham Medical Research Institute The solubility is one of the most fundamental physicochemical properties of drug candidates, and its measurement is essential in the in vitro evaluation of drug-like propert... aid1615.table aid1615.tbin
1616 1040 Huntington's Disease is a late onset neurodegenerative disease caused by expression of an expanded polyglutamine tract. A great deal of experimental evidence indicates that expanded polyglutamine tracts have an enhanced propensity for aggregation, and that this property is related to expanded polylgutamine toxicity. It is therefore of interest to discover compounds that can influence polyglutamine aggregation. We have observed that expression of an expanded polyglutamine-tub1 fusion protein is t... aid1616.table aid1616.tbin
1617 1 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, Lake Nona, FL) Network: NIH Molecular Libraries Probe Production Network (MLPCN) Grant Proposal Number: Assay Provider: Dr. Layton Smith, Sanford-Burnham Medical Research Institute The binding of test compounds to plasma proteins is an important factor affecting drug efficacy, metabolism and pharmacokinetic properties. In many cases, drug efficacy is determine... aid1617.table aid1617.tbin
1618 30 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Proposal Number: 1R03 MH076502-01 Assay Provider: Dr. Fabienne Paumet, Columbia University Phagocytic uptake of large particles such as invading pathogens, foreign particles and dead cell bodies represents a key component of the immune system of mammalian organisms. Due to t... aid1618.table aid1618.tbin
1619 217147 Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening Centers Network (MLSCN) Assay Provider: Dr. Donald Gardiner, Queensland Institute of Medical Research Award: 1-R03-MH082342-01A1 The intraerythrocytic stages of the human malaria parasite Plasmodium falciparum employs two cytosolic neutral aminopeptidases, an M1-family alanyl aminopeptidase (M1AAP) and an M17-family leucine aminopeptidase (M17LAP... aid1619.table aid1619.tbin
1620 90 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: R03 MH082386-01 Assay Provider: Dr. Hudson H. Freeze, Sanford-Burnham Medical Research Institute, San Diego, CA Congenital Disorders of Glycosylation (CDG) are autosomal recessive defects in the synthesis of N-linked oligosaccharide chains. CDG group I (CDG-I) defect... aid1620.table aid1620.tbin
1621 288428 Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Probe Production Centers Network (MLPCN) Assay Provider: Dr. Marintha Heil, Southern Research Institute Award: 1R03 MH084847-01 West Nile virus (WNV) is a mosquito borne infectious agent that causes febrile illness and occasionally encephalitis. Outbreaks had been reported in Africa, Asia, and Europe since 1937. In 1999, the first case of WNV was de... aid1621.table aid1621.tbin
1622 840 An RNAi-based silencing screen using SMARTpool siRNA silencing reagents (Thermo Fisher Scientific, Lafayette, CO, USA) targeting each of 859 human kinase and cell cycle genes that, when knocked down, induced apoptosis in HeLa cells (ATCC, CCL-2) was performed by the Luo lab at the Eppley Institute for Cancer Research, an RNAi Global Initiative member. The assay for viability was performed using the CellTiter-Blue Cell Viability Assay (Promega, Madison, WI, USA), according to the manufacturer's p... aid1622.table aid1622.tbin
1623 1 NIH Molecular Libraries Probe Production Centers Network [MLPCN] NIH Chemical Genomics Center [NCGC] MLPCN Grant: 1 R03 MH085686-01 Assay Submitter (PI): Beller, Mathias; Max-Planck-Institut fur Biophysikalische Chemie NCGC Assay Overview: Storing lipids as a reservoir for energy or the anabolism of elementary metabolites is a common feature of probably all cells and is conserved from bacteria to humans. The universal cellular lipid storage organelle is the so-called lipid storage droplet (LD). ... aid1623.table aid1623.tbin
1624 3 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number: X01 MH083230-01 Assay Provider: Dr. Dmitri Rozanov, Sanford-Burnham Medical Research Institute, San Diego CA Cytotoxic chemotherapy induces apoptosis via a pathway involving mitochondria, sometimes referred to as the "intrinsic pathway." An acquired resistance to a... aid1624.table aid1624.tbin
1625 193081 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Proposal Number: 1X01MH077631-01 Assay Provider: Drs. Mark Mercola and Fred Levine, Sanford-Burnham Medical Research Institute and University of CA San Diego The cardinal property of beta-cells, shared by no other cell in the body, is high level expression of the insulin gen... aid1625.table aid1625.tbin
1626 215397 Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening Centers Network (MLSCN) Assay Provider Lucile White, Southern Research Institute, Birmingham, AL Award: N01-AI-15449 Mycobacterium tuberculosis (Mtb) is a notorious pathogen whose increasing resistance to antibiotics and heightened lethality in combination with AIDS makes it a major health concern worldwide. The World Health Organization (WHO) estima... aid1626.table aid1626.tbin
1627 241 Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Network (MLSCN) Assay Provider: Scott Diamond, University of Pennsylvania Grant number: MH076406-01 Human liver cathepsin L (EC 3.4.22.15) is a lysosomal cysteine protease. Recent interest in cathepsin L has been generated by research showing that proteolysis by this enzyme is required for the entry and replication of the SARS and Ebola viruses in human... aid1627.table aid1627.tbin
1628 192474 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Proposal Number: 1X01MH077631-01 Assay Provider: Drs. Mark Mercola and Fred Levine, Sanford-Burnham Medical Research Institute and University of CA San Diego The cardinal property of beta-cells, shared by no other cell in the body, is high level expression of the insulin gen... aid1628.table aid1628.tbin
1629 16 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Raymond Deshaies, California Institute of Technology Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R03 MH085687-01 Grant Proposal PI: Raymond Deshaies, California Institute of Technology External Assay ID: p97C552A_INH _LUMI_384_IC50_SAR_CS ROUND1 Name: Luminescence counterscreen a... aid1629.table aid1629.tbin
1631 264516 NIH Chemical Genomics Center [NCGC] Matthew G. Vander Heiden, M.D., Ph.D. [Harvard Medical School, 77 Avenue Louis Pasteur, Boston, MA 02115] MLPCN Grant: 1 R03 MH085679-01 NCGC Assay Overview: Human pyruvate kinase muscle 2 (hPK-M2) enzyme was supplied as a highly purified (>95% pure) preparation from Harvard Medical School and assayed for its ability to generate ATP from ADP using phosphoenolpyruvate (PEP) as a substrate. ATP generation was detected in a coupled reaction by luciferase-mediated... aid1631.table aid1631.tbin
1632 16 Excerpt from MH082340 application (Dr. James Morris, Clemson University) Trypanosoma brucei, the digenic protozoan parasite that causes African sleeping sickness in man, annually infects ~500,000 people in sub-Saharan Africa, leading to 50,000-70,000 deaths per year. Glucose metabolism is essential for the parasite, with the pathogenic lifestage of the parasite, the bloodstream form (BSF), acquiring energy exclusively through glycolysis. Hexokinase (HK), the first enzyme in glycolysis, catal... aid1632.table aid1632.tbin
1633 1 Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Network (MLSCN) Assay Provider: Scott Diamond, University of Pennsylvania Grant number: MH076406-01 Human liver cathepsin L (EC 3.4.22.15) is a lysosomal cysteine protease. Recent interest in cathepsin L has been generated by research showing that proteolysis by this enzyme is required for the entry and replication of the SARS and Ebola viruses in human... aid1633.table aid1633.tbin
1634 264516 NIH Chemical Genomics Center [NCGC] Matthew G. Vander Heiden, M.D., Ph.D. [Harvard Medical School, 77 Avenue Louis Pasteur, Boston, MA 02115] MLPCN Grant: 1 R03 MH085679-01 NCGC Assay Overview: Human pyruvate kinase muscle 2 (hPK-M2) enzyme was supplied as a highly purified (>95% pure) preparation from Harvard Medical School and assayed for its ability to generate ATP from ADP using phosphoenolpyruvate (PEP) as a substrate. ATP generation was detected in a coupled reaction by luciferase-mediated... aid1634.table aid1634.tbin
1635 2 This summary describes the project approaches used to discover small molecules inhibiting West Nile virus replication in a cell culture system with high specificity. West Nile virus (WNV), a member of flaviviruses, is a mosquito borne infectious agent that causes febrile illness and occasionally encephalitis. Since the first case of WNV was detected in New York City in 1999 the virus spread rapidly west resulting in the largest epidemics of neuorinvasive WNV disease ever reported in the US. Thr... aid1635.table aid1635.tbin
1636 1 Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Network (MLSCN) Assay Provider: Scott Diamond, University of Pennsylvania Grant number: MH076406-01 Human liver cathepsin L (EC 3.4.22.15) is a lysosomal cysteine protease. Recent interest in cathepsin L has been generated by research showing that proteolysis by this enzyme is required for the entry and replication of the SARS and Ebola viruses in human... aid1636.table aid1636.tbin
1637 3677 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: R03MH082366 Assay Provider: Dr. Maurizio Pellecchia, Sanford-Burnham Medical Research Institute The RNA genome of influenza virus consists of eight single-stranded RNA molecules with the 5' and 3' ends of each RNA segment functioning as recognition promoter motifs f... aid1637.table aid1637.tbin
1638 3 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: MH081277-01 Assay Provider: John C. Reed, Sanford-Burnham Medical Research Institute, San Diego, CA Apoptosis plays an essential role in many aspects of normal development and physiology, becoming dysregulated in myriad diseases characterized by insuf... aid1638.table aid1638.tbin
1640 2 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: X01 MH083230-01 Assay Provider: Dr. Dmitri Rozanov, Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA Cytotoxic chemotherapy induces apoptosis via a pathway involving mitochondria, sometimes referred to as the "intrinsic pathway." An acquired res... aid1640.table aid1640.tbin
1641 211 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assay Provider: Peter Hodder, TSRI Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number: Not Applicable Grant Proposal PI: Peter Hodder, TSRI External Assay ID: PYK2_INH_HTRF_1536_3XIC50 Name: TR-FRET counterscreen for FAK inhibitors: dose-response biochemical high throughput screening assay to identify inhibitors of... aid1641.table aid1641.tbin
1648 3677 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Network (MLPCN) Grant Number: R03 MH084221 Assay Provider: Dr. Maurizio Pellecchia, Sanford-Burnham Medical Research Institute The mammalian target of rapamycin (mTOR) is a protein that is intricately involved in signaling pathways controlling cell growth (1). Rapamycin is a natural product that... aid1648.table aid1648.tbin
1649 281 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Claes Wahlestedt, Scripps Florida Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number 1 R21 NS056950-01 Grant Proposal PI: Claes Wahlestedt External Assay ID: NPY-Y2_POT_CNGC_1536_3X%ACT CSRUN Name: Fluorescence counterscreen assay for potentiators or agonists of NPY-Y1: Cell-based high-throu... aid1649.table aid1649.tbin
1650 601 Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Probe Production Centers Network (MLPCN) Assay Provider: Dr. Marintha Heil, Southern Research Institute Award: 1R03 MH084847-01 This functional assay was developed for detection of compounds inhibiting Vero E6 cells viability as a secondary screen to the West Nile Virus anti-viral assay. In addition to profiling potential lead compounds for cytotoxici... aid1650.table aid1650.tbin
1651 453 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Claes Wahlestedt, Scripps Florida Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number 1 R21 NS056950-01 Grant Proposal PI: Claes Wahlestedt External Assay ID: NPY-Y1_POT_CNGC_1536_3X%ACT CSRUN Name: Fluorescence counterscreen assay for potentiators or agonists of NPY-Y2: Cell-based high-thro... aid1651.table aid1651.tbin
1653 3 NIH Molecular Libraries Screening Centers Network [MLSCN] NIH Chemical Genomics Center [NCGC] MLSCN Grant: 1 X01 MH079860-01 Assay Provider: Elisabeth D. Martinez, University of Texas SW Medical Center NCGC Assay Overview: The Locus Derepression assay detects the derepression of a GFP reporter that is stably integrated in a region of the genome of murine c127i mammary cells that is presumably silenced. GFP transcription in this construct is controlled by a CMV promoter, which normally is stron... aid1653.table aid1653.tbin
1654 291165 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1 R03 MH084230-01A1 Assay Provider: Dr. Lutz Tautz, Sanford-Burnham Medical Research Institute, San Diego CA Protein tyrosine phosphatases (PTPs) play vital roles in numerous cellular processes and are implicated in a growing number of human diseases, ranging... aid1654.table aid1654.tbin
1655 178 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Probe Production Centers Network (MLPCN) Grant Number: R03 MH082386-01 Assay Provider: Dr. Hudson H. Freeze, Sanford-Burnham Medical Research Institute, San Diego, CA Congenital Disorders of Glycosylation (CDGs) are rare genetic disorders in the synthesis of N-linked glycan chains. Mutations in PMM2, encoding phosphomannom... aid1655.table aid1655.tbin
1656 236559 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R03 MH083261-01A1 Assay Provider: Dr. Patrick M. McDonough, Vala Sciences Inc. Medical researchers world-wide now use the term "epidemic" or "pandemic" to describe the alarming incidence of obesity in modern society, which is estimated to occur in 3... aid1656.table aid1656.tbin
1659 122 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Proposal Number: 1R03 MH082385-01 This TNAP dose response assay is developed and performed to confirm hits originally identified in the TNAP luminescent HTS assay (AID 1001) and to study the structure-activity relationship on analogs of the confirmed hits. Compounds are eith... aid1659.table aid1659.tbin
1660 77 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Stefan Heller, Stanford University Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number 1 R03 MH083077-01 Grant Proposal PI: Stefan Heller , Stanford University External Assay ID: TRPML3_AG_FLUO8_1536_3XEC50 Counterscreen Name: Fluorescence counterscreen assay for TRPN1 agonists: dose respo... aid1660.table aid1660.tbin
1661 1 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1 R03 MH084230-01A1 Assay Provider: Dr. Lutz Tautz, Sanford-Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Protein tyrosine phosphatases (PTPs) play vital roles in numerous cellular processes and are implicated in a growing number o... aid1661.table aid1661.tbin
1662 303545 Broad Institute MLPCN Streptokinase Expression Inhibition Project Project ID: 2014 Keywords: Streptokinase, inhibition, growth, bacterial, group A streptococcus, virulence Primary Collaborators: Hongmin Sun, University of Missouri-Columbia, sunh@health.missouri.edu Project Overview: The goal of the project is to identify and develop novel antibiotic small molecules through inhibiting streptokinase (SK) expression in group A streptococcus (GAS). Based on the critical role of SK in GAS pathogen... aid1662.table aid1662.tbin
1663 302517 Broad Institute MLPCN Platelet Activation Project Project ID: 2016 Keywords: Platelet, activation, granule, secretion, arterial thrombosis, PAR1, SFLLRN, thrombin receptor Primary Collaborators: Robert Flaumenhaft, Beth Israel Deaconess Medical Center, rflaumen@bidmc.harvard.edu John Thomas, NHLBI, ThomasJ@nhlbi.nih.gov Project Overview: The goal of this project is to identify small molecules that inhibit the activation of platelets by measuring the secretion of ATP-rich dense granules. T... aid1663.table aid1663.tbin
1665 193658 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Proposal Number: 1 R03 MH082378-01 Assay Provider: Dr. Patrick M. McDonough, Vala Sciences Inc. Cancer is one of the most tragic afflictions in modern society, and often results from alterations in the mitotic process. In normal cells, beta-catenin is found predominantly ass... aid1665.table aid1665.tbin
1666 71 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1 R03 MH084086-01 Assay Provider: Dr. Jose Luis Milan, Sanford-Burnham Medical Research Institute, San Diego CA Mineralization of cartilage and bone occurs by a series of physicochemical and biochemical processes that together facilitate the deposition of hyd... aid1666.table aid1666.tbin
1672 305679 Name: Primary cell-based high-throughput screening assay for identification of compounds that inhibit/block inward-rectifying potassium ion channel Kir2.1 Data Source: Johns Hopkins Ion Channel Center (JHICC) BioAssay Type: Primary, Primary Screening, Single Concentration Activity Observed Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening Center PI: Min Li, Ph.D. Assay Provider: Elena Makhina Ph.D., Un... aid1672.table aid1672.tbin
1674 1 Broad Institute of MIT and Harvard, Cambridge MA NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number MH084117-01 Internal Project ID: 2013 Keywords: Ras, apoptosis, cancer, VDAC, oxidative cell death Primary Collaborators: Brent Stockwell, Columbia University, 614 Fairchild Center, MC 2406, 1212 Amesterdam Ave, New York, NY 10027, bs2189@columbia.edu, 212.854.2948 Dan Zaharevitz, NCI Science Officer, zaharevd@mail.nih.gov Project Overview: The goal of the projec... aid1674.table aid1674.tbin
1677 3 Broad Institute of MIT and Harvard, Cambridge MA NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number 1R03DA026214-01 Internal Project ID: 2014 Keywords: Streptokinase, inhibition, growth, bacterial, group A streptococcus, virulence Primary Collaborators: Hongmin Sun, University of Missouri-Columbia, sunh@health.missouri.edu Probes: ML126, ML134, ML135 Project Overview: The goal of the project is to identify and develop novel antibiotic small molecules through in... aid1677.table aid1677.tbin
1678 3 Broad Institute of MIT and Harvard, Cambridge MA NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number 1R03DA026209-01 Internal Project ID: 2016 Keywords: Platelet, activation, granule, secretion, arterial thrombosis, PAR1, SFLLRN, thrombin receptor Primary Collaborators: Robert Flaumenhaft, Beth Israel Deaconess Medical Center, rflaumen@bidmc.harvard.edu John Thomas, NHLBI, ThomasJ@nhlbi.nih.gov Probes: ML159, ML160, ML161 Project Overview: The goal of this pro... aid1678.table aid1678.tbin
1679 400 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Pat Griffin, TSRI Network: Molecular Library Probe Production Center Network (MLPCN) Grant Proposal Number: 1 X01 MH079861-01 Grant Proposal PI: Patrick Griffin, Scripps Florida External Assay ID: PPARGSRC1_AG_TRFRET_1536_3XEC50 Name: TR-FRET dose response biochemical High Throughput Screening assay for agonists of the steroid re... aid1679.table aid1679.tbin
1681 400 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Pat Griffin, TSRI Network: Molecular Library Probe Production Center Network (MLPCN) Grant Proposal Number: 1 X01 MH079861-01 Grant Proposal PI: Patrick Griffin, Scripps Florida External Assay ID: PPARGSRC2_AG_TRFRET_1536_3XEC50 Name: TR-FRET dose response biochemical High Throughput Screening assay for agonists of the steroid re... aid1681.table aid1681.tbin
1682 188 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Stefan Heller, Stanford University Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number 1 R03 MH083077-01 Grant Proposal PI: Stefan Heller , Stanford University External Assay ID: TRPN1_AG_Calcium_1536_3XEC50 CS Name: Fluorescence counterscreen assay for TRPML3 agonists: dose response cell-b... aid1682.table aid1682.tbin
1684 400 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Pat Griffin, TSRI Network: Molecular Library Probe Production Center Network (MLPCN) Grant Proposal Number: 1 X01 MH079861-01 Grant Proposal PI: Patrick Griffin, Scripps Florida External Assay ID: PPARGSRC3_AG_TRFRET_1536_3XEC50 Name: TR-FRET dose response biochemical High Throughput Screening assay for agonists of the steroid re... aid1684.table aid1684.tbin
1686 46 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Michael Oldstone, TSRI Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number: U01 AI074564 Fast Track Grant Proposal PI: Michael Oldstone, TSRI External Assay ID: S1P4_AG_BLA_1536_3XEC50 Name: Fluorescence dose response cell-based high throughput screening assay for agonists of the Sphingosine ... aid1686.table aid1686.tbin
1687 9 Pyruvate kinase (purified from Bacillus stearothermophilus) was assayed for its ability to generate pyruvate from phosphoenolpyruvate (PEP) using ADP as a substrate. Pyruvate generation was detected in a coupled reaction by lactate dehydrogenase (LDH)-mediated NADH reduction resulting in an absorbance change at 340 nm. The enzyme was assayed at an intermediate level of activity to screen for inhibitors and activators. In addition, ribose 5 phosphate, a positive modulator of pyruvate kinase, was i... aid1687.table aid1687.tbin
1688 221029 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Probe Production centers Network [MLPCN] MLPCN Grant: R03MH084839-01A1 Assay Submitter (PI): Wei Zheng NCGC Assay Overview: Huntington's disease is a neurodegenerative disorder caused by a trinucleotide repeat expansion in Exon 1 of the Huntingtin gene. The CAG trinucleotide encodes glutamine and polyglutamine expansions cause cell death in selective areas of the brain. Huntington polyglutamine repeats have the tendency to form aggreg... aid1688.table aid1688.tbin
1689 40 University of New Mexico Assay Overview: Assay Support: 1R03MH081228-01A1 High-throughput multiplex screening for ABC transporter inhibitors PI: Richard Larson MD, PhD Assay Development: Irena Ivnitski-Steele PhD Assay Implementation: Irena Ivnitski-Steele PhD, Juan Strouse PhD, Terry Foutz, Anna Waller PhD, Mark Carter Target Team Leader for the Center: Bruce Edwards, PhD (BEdwards@salud.unm.edu) Assay Background and Significance: The three major types of multidrug resistance (MDR) prote... aid1689.table aid1689.tbin
1690 40 University of New Mexico Assay Overview: Assay Support:1R03MH081228-01A1 High-throughput multiplex screening for ABC transporter inhibitors PI: Richard Larson MD, PhD Assay Development: Irena Ivnitski-Steele PhD Assay Implementation: Irena Ivnitski-Steele PhD, Juan Strouse PhD, Terry Foutz, Anna Waller PhD, Mark Carter Target Team Leader for the Center: Bruce Edwards, PhD (BEdwards@salud.unm.edu Assay Background and Significance: The three major types of multidrug resistance (MDR) proteins... aid1690.table aid1690.tbin
1691 108 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Ross Levine, Memorial Sloan Kettering Cancer Center (MSKCC) Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R03 MH084174-01 Grant Proposal PI: Ross Levine, MSKCC External Assay ID: JAK2V617F_INH_LUMI_384_3XIC50 Name: Luminescent dose response cell-based high throughput screening ass... aid1691.table aid1691.tbin
1692 100 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Michael Oldstone, TSRI Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number: U01 AI074564 Fast Track Grant Proposal PI: Michael Oldstone, TSRI External Assay ID: S1P4_ANT_BLA_1536_3XIC50 Name: Fluorescence dose response cell-based high throughput screening assay for antagonists of the Sphingos... aid1692.table aid1692.tbin
1693 1 University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein interactions PI: Larry Sklar, Ph.D. Assay Implementatiion: Peter Simons Ph.D, Susan Young MS, Anna Waller Ph.D, Mark Carter MS Assay Background and Significance: This report summarizes the series of assays used to identify small molecule regulators of Bcl-2 family protein interactions. One arm of apoptosis is regulated by the balance of anti-apoptot... aid1693.table aid1693.tbin
1694 138 NIH Molecular Libraries Probe Production Network [MLPCN] NIH Chemical Genomics Center [NCGC] MLPCN Grant: X01 MH083262-01 Assay Provider: Carlo Ballatore, University of Pennsylvania NCGC Assay Overview: The microtubule-associated protein tau is an abundant protein in the axons of neurons that stabilizes microtubules. With its ability to modulate microtubule dynamics, tau contributes directly or indirectly, to key structural and regulatory cellular functions. Particularly important is the influ... aid1694.table aid1694.tbin
1695 387 Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Michael McNeil, Colorado State University, Fort Collins, CO MLSCN Grant: DA024889-01 This screen is for compounds that have the potential to be developed into new drugs against tuberculosis (TB) because they inhibit the enzymes required for the formation of the cell wall of the tuberculosis bacterium. New drugs are needed because the rate of cure with the present drugs is very slow, and ... aid1695.table aid1695.tbin
1696 356 Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Michael McNeil, Colorado State University, Fort Collins, CO MLSCN Grant: DA024889-01 This screen is for compounds that have the potential to be developed into new drugs against tuberculosis (TB) because they inhibit the enzymes required for the formation of the cell wall of the tuberculosis bacterium. New drugs are needed because the rate of cure with the present drugs is very slow, and ... aid1696.table aid1696.tbin
1697 281 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Claes Wahlestedt, Scripps Florida Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number 1 R21 NS056950-01 Grant Proposal PI: Claes Wahlestedt External Assay ID: NPY-Y1_AG_CNGC_1536_3X%ACT Name: Fluorescence confirmation assay for potentiators or agonists of NPY-Y1: cell-based high-throughput s... aid1697.table aid1697.tbin
1698 281 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Claes Wahlestedt, Scripps Florida Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number 1 R21 NS056950-01 Grant Proposal PI: Claes Wahlestedt External Assay ID: NPY-Y2_AG_CNGC_1536_3X%ACT Name: Fluorescence counterscreen assay for potentiators or agonists of NPY-Y1: cell-based high-throughput ... aid1698.table aid1698.tbin
1699 108 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Ross Levine, Memorial Sloan Kettering Cancer Center (MSKCC) Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R03 MH084174-01 Grant Proposal PI: Ross Levine, MSKCC External Assay ID: BaF3CYTOX_INH_LUMI_384_3XIC50 Name: Luminescent counterscreen for inhibitors of the Janus kinase 2 mut... aid1699.table aid1699.tbin
1700 290893 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Vincent Yang, Emory University Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number 1-R03-DA026215-01 Grant Proposal PI: Vincent Yang External Assay ID: KLF5_INH_Lumi_1536_%INH Name: Primary cell-based high throughput screening assay to identify inhibitors of kruppel-like factor 5 (KLF5) Description: Trans... aid1700.table aid1700.tbin
1701 46 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Michael Oldstone, TSRI Network: Molecular Library Probe Production Center Network (MLPCN) Grant Proposal Number: U01 AI074564 Fast Track Grant Proposal PI: Michael Oldstone, TSRI External Assay ID: S1P1_AG_BLA_1536_3XEC50 Name: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput scr... aid1701.table aid1701.tbin
1702 453 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Claes Wahlestedt, Scripps Florida Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number 1 R21 NS056950-01 Grant Proposal PI: Claes Wahlestedt External Assay ID: NPY-Y1_AG_CNGC_1536_3X%ACT Name: Fluorescence-based counterscreen assay for potentiators of NPY-Y2: cell-based high-throughput scree... aid1702.table aid1702.tbin
1703 453 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Claes Wahlestedt, Scripps Florida Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number 1 R21 NS056950-01 Grant Proposal PI: Claes Wahlestedt External Assay ID: HEKCNGC_INH_CNGC_1536_3X%INH Name: Fluorescence-based counterscreen assay for potentiators NPY-Y2: cell-based high-throughput screeni... aid1703.table aid1703.tbin
1704 281 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Claes Wahlestedt, Scripps Florida Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number 1 R21 NS056950-01 Grant Proposal PI: Claes Wahlestedt External Assay ID: HEKCNGC_INH_CNGC_1536_3X%INH Name: Fluorescence-based counterscreen assay for potentiators or agonists of NPY-Y1: cell-based high-thr... aid1704.table aid1704.tbin
1705 1279 Assay Provider: David M. Wilson, III, National Institute on Aging, NIH Screening Center PI: Austin, C.P. Screening Center: NIH Chemical Genomics Center [NCGC] The apurinic/apyrimidinic endonuclease APE1 is the primary mammalian enzyme responsible for the removal of abasic (or AP) sites in DNA and functions centrally in the base excision DNA repair (BER) pathway. Recent studies suggested a link between an overexpression of APE1 in many cancers and resistance of these tumor cells to radio- and che... aid1705.table aid1705.tbin
1706 290893 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Valerie Tokars and Andrew Mesecar, University of Illinois at Chicago (UIC) Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1-R03-MH084162-01A1 Grant Proposal PI: Valerie Tokars and Andrew Mesecar, UIC External Assay ID: 3CLPRO_INH_QFRET_1536_%INH Name: QFRET-based primary biochemical ... aid1706.table aid1706.tbin
1707 1279 In order to distinguish true inhibitors of DNA-processing enzymes from promiscuous DNA-binding compounds among screening assay hits, we developed a homogeneous and miniaturized assay based on fluorescent dye displacement test as originally described by Tse and Boger (Accounts of Chemical Research (2004) 37: 61-69). The assay is based on the strong enhancement of fluorescence when Thiazole Orange (ThO) binds to double-stranded DNA: conversely, in the presence of a DNA-binding compound, Thiazole Or... aid1707.table aid1707.tbin
1708 1280 Assay Provider: David M. Wilson, III, National Institute on Aging, NIH Screening Center PI: Austin, C.P. Screening Center: NIH Chemical Genomics Center [NCGC] Escherichia coli endonuclease IV (Endo IV) is the key member of the AP endonuclease superfamily that catalyzes the cleavage of damaged DNA backbone immediately 5' of an AP site. E. coli EndoIV has the same functional activities as human APE1 but has no sequence or structural homology to the human protein. Herein, we utilize E. coli EndoIV ... aid1708.table aid1708.tbin
1709 8 NIH Molecular Libraries Probe Production Network [MLPCN] NIH Chemical Genomics Center [NCGC] MLPCN Grant: X01 MH083262-01 Assay Provider: Carlo Ballatore, University of Pennsylvania NCGC Assay Overview: The microtubule-associated protein tau is an abundant protein in the axons of neurons that stabilizes microtubules. With its ability to modulate microtubule dynamics, tau contributes directly or indirectly, to key structural and regulatory cellular functions. Particularly important is the influ... aid1709.table aid1709.tbin
1710 453 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Claes Wahlestedt, Scripps Florida Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number 1 R21 NS056950-01 Grant Proposal PI: Claes Wahlestedt External Assay ID: NPY-Y2_AG_CNGC_1536_3X%ACT CSRUN Name: Fluorescence-based counterscreen assay for potentiators of NPY-Y2: cell-based high-throughput ... aid1710.table aid1710.tbin
1711 23 NIH Molecular Libraries Probe Production Network [MLPCN] NIH Chemical Genomics Center [NCGC] MLPCN Grant: X01 MH083262-01 Assay Provider: Carlo Ballatore, University of Pennsylvania NCGC Assay Overview: The microtubule-associated protein tau is an abundant protein in the axons of neurons that stabilizes microtubules. With its ability to modulate microtubule dynamics, tau contributes directly or indirectly, to key structural and regulatory cellular functions. Particularly important is the influ... aid1711.table aid1711.tbin
1712 26 NIH Molecular Libraries Probe Production Network [MLPCN] NIH Chemical Genomics Center [NCGC] MLPCN Grant: X01 MH083262-01 Assay Provider: Carlo Ballatore, University of Pennsylvania NCGC Assay Overview: The microtubule-associated protein tau is an abundant protein in the axons of neurons that stabilizes microtubules. With its ability to modulate microtubule dynamics, tau contributes directly or indirectly, to key structural and regulatory cellular functions. Particularly important is the influ... aid1712.table aid1712.tbin
1713 3695 Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Grant Title: Identification of Novel Modulators of Cl- dependent Transport Process via HTS Grant Number: R21NS053658-01 Cation-chloride cotransporters such as K-Cl cotransport and Na-K-2Cl cotransport play major roles in a variety of physiological settings, including the modulation of GABAergic synaptic transmission. For instance, KCC2, a neuronal-spe... aid1713.table aid1713.tbin
1714 3695 Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Grant Title: Identification of Novel Modulators of Cl- dependent Transport Process via HTS Grant Number: R21NS053658-01 Cation-chloride cotransporters such as K-Cl cotransport and Na-K-2Cl cotransport play major roles in a variety of physiological settings, including the modulation of GABAergic synaptic transmission. For instance, KCC2, a neuronal-spe... aid1714.table aid1714.tbin
1715 3695 Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Grant Title: Identification of Novel Modulators of Cl- dependent Transport Process via HTS Grant Number: R21NS053658-01 Cation-chloride cotransporters such as K-Cl cotransport and Na-K-2Cl cotransport play major roles in a variety of physiological settings, including the modulation of GABAergic synaptic transmission. For instance, KCC2, a neuronal-spe... aid1715.table aid1715.tbin
1716 3695 Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Grant Title: Identification of Novel Modulators of Cl- dependent Transport Process via HTS Grant Number: R21NS053658-01 Cation-chloride cotransporters such as K-Cl cotransport and Na-K-2Cl cotransport play major roles in a variety of physiological settings, including the modulation of GABAergic synaptic transmission. For instance, KCC2, a neuronal-spe... aid1716.table aid1716.tbin
1717 3695 Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Grant Title: Identification of Novel Modulators of Cl- dependent Transport Process via HTS Grant Number: R21NS053658-01 Cation-chloride cotransporters such as K-Cl cotransport and Na-K-2Cl cotransport play major roles in a variety of physiological settings, including the modulation of GABAergic synaptic transmission. For instance, KCC2, a neuronal-spe... aid1717.table aid1717.tbin
1718 3695 Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Grant Title: Identification of Novel Modulators of Cl- dependent Transport Process via HTS Grant Number: R21NS053658-01 Cation-chloride cotransporters such as K-Cl cotransport and Na-K-2Cl cotransport play major roles in a variety of physiological settings, including the modulation of GABAergic synaptic transmission. For instance, KCC2, a neuronal-spe... aid1718.table aid1718.tbin
1719 47 NIH Molecular Libraries Probe Production Network [MLPCN] NIH Chemical Genomics Center [NCGC] MLPCN Grant: X01 MH083262-01 Assay Provider: Carlo Ballatore, University of Pennsylvania NCGC Assay Overview: The microtubule-associated protein tau is an abundant protein in the axons of neurons that stabilizes microtubules. With its ability to modulate microtubule dynamics, tau contributes directly or indirectly, to key structural and regulatory cellular functions. Particularly important is the influ... aid1719.table aid1719.tbin
1720 107 NIH Molecular Libraries Probe Production Network [MLPCN] NIH Chemical Genomics Center [NCGC] MLPCN Grant: X01 MH083262-01 Assay Provider: Carlo Ballatore, University of Pennsylvania NCGC Assay Overview: The microtubule-associated protein tau is an abundant protein in the axons of neurons that stabilizes microtubules. With its ability to modulate microtubule dynamics, tau contributes directly or indirectly, to key structural and regulatory cellular functions. Particularly important is the influ... aid1720.table aid1720.tbin
1721 293196 NIH Chemical Genomics Center [NCGC] Malcolm Walkinshaw, Hugh Morgan, Linda Gilmore University of Edinburgh, UK MLPCN Grant: 1 R03 MH085697-01 NCGC Assay Overview: Pyruvate kinase (L. Mexicana) (LmPK) enzyme was supplied as a highly purified (>95% pure) sulphate-free preparation from University of Edinburgh, UK and assayed for its ability to generate ATP from ADP using phosphoenolpyruvate (PEP) as a substrate. ATP generation was detected in a coupled reaction by luciferase-mediated luminescence, ... aid1721.table aid1721.tbin
1722 293196 NIH Chemical Genomics Center [NCGC] Malcolm Walkinshaw, Hugh Morgan, Linda Gilmore University of Edinburgh, UK MLPCN Grant: 1 R03 MH085697-01 NCGC Assay Overview: Pyruvate kinase (L. Mexicana) (LmPK) enzyme was supplied as a highly purified (>95% pure) sulphate-free preparation from University of Edinburgh, UK and assayed for its ability to generate ATP from ADP using phosphoenolpyruvate (PEP) as a substrate. ATP generation was detected in a coupled reaction by luciferase-mediated luminescence, ... aid1722.table aid1722.tbin
1723 62 Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Grant Title: Identification of Novel Modulators of Cl- dependent Transport Process via HTS Grant Number: R21NS053658-01 Cation-chloride cotransporters such as K-Cl cotransport and Na-K-2Cl cotransport play major roles in a variety of physiological settings, including the modulation of GABAergic synaptic transmission. For instance, KCC2, a neuronal-spe... aid1723.table aid1723.tbin
1724 113 qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] MLSCN Grant: 1X01MH082406-01 Assay Submitter (PI): Dr. Wei Zheng, NCGC/NIH NCGC Assay Overview: The Ras/extracellular-signal-regulated kinase (ERK) mitogen activated protein (MAP) kinase signaling pathway (ERK1/2 cascade) plays is a key role in transmitting signals from the cell surface to the nucleus (Nishida ... aid1724.table aid1724.tbin
1725 60 qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] MLSCN Grant: 1X01MH082406-01 Assay Submitter (PI): Dr. Wei Zheng, NCGC/NIH NCGC Assay Overview: The Ras/extracellular-signal-regulated kinase (ERK) mitogen activated protein (MAP) kinase signaling pathway (ERK1/2 cascade) plays is a key role in transmitting signals from the cell surface to the nucleus (Nishida ... aid1725.table aid1725.tbin
1726 25 qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] MLSCN Grant: 1X01MH082406-01 Assay Submitter (PI): Dr. Wei Zheng, NCGC/NIH NCGC Assay Overview: The Ras/extracellular-signal-regulated kinase (ERK) mitogen activated protein (MAP) kinase signaling pathway (ERK1/2 cascade) plays is a key role in transmitting signals from the cell surface to the nucleus (Nishida ... aid1726.table aid1726.tbin
1727 25 qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] MLSCN Grant: 1X01MH082406-01 Assay Submitter (PI): Dr. Wei Zheng, NCGC/NIH NCGC Assay Overview: The Ras/extracellular-signal-regulated kinase (ERK) mitogen activated protein (MAP) kinase signaling pathway (ERK1/2 cascade) plays is a key role in transmitting signals from the cell surface to the nucleus (Nishida ... aid1727.table aid1727.tbin
1728 72 qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] MLSCN Grant: 1X01MH082406-01 Assay Submitter (PI): Dr. Wei Zheng, NCGC/NIH NCGC Assay Overview: The Ras/extracellular-signal-regulated kinase (ERK) mitogen activated protein (MAP) kinase signaling pathway (ERK1/2 cascade) plays is a key role in transmitting signals from the cell surface to the nucleus (Nishida ... aid1728.table aid1728.tbin
1729 25 qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] MLSCN Grant: 1X01MH082406-01 Assay Submitter (PI): Dr. Wei Zheng, NCGC/NIH NCGC Assay Overview: The Ras/extracellular-signal-regulated kinase (ERK) mitogen activated protein (MAP) kinase signaling pathway (ERK1/2 cascade) plays is a key role in transmitting signals from the cell surface to the nucleus (Nishida ... aid1729.table aid1729.tbin
1730 87 qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] MLSCN Grant: 1X01MH082406-01 Assay Submitter (PI): Dr. Wei Zheng, NCGC/NIH NCGC Assay Overview: The Ras/extracellular-signal-regulated kinase (ERK) mitogen activated protein (MAP) kinase signaling pathway (ERK1/2 cascade) plays is a key role in transmitting signals from the cell surface to the nucleus (Nishida ... aid1730.table aid1730.tbin
1731 28 qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] MLSCN Grant: 1X01MH082406-01 Assay Submitter (PI): Dr. Wei Zheng, NCGC/NIH NCGC Assay Overview: The Ras/extracellular-signal-regulated kinase (ERK) mitogen activated protein (MAP) kinase signaling pathway (ERK1/2 cascade) plays is a key role in transmitting signals from the cell surface to the nucleus (Nishida ... aid1731.table aid1731.tbin
1732 72 qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] MLSCN Grant: 1X01MH082406-01 Assay Submitter (PI): Dr. Wei Zheng, NCGC/NIH NCGC Assay Overview: The Ras/extracellular-signal-regulated kinase (ERK) mitogen activated protein (MAP) kinase signaling pathway (ERK1/2 cascade) plays is a key role in transmitting signals from the cell surface to the nucleus (Nishida ... aid1732.table aid1732.tbin
1733 81 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Probe Production centers Network [MLPCN] MLPCN Grant: R03 MH084179-01 Assay Submitter (PI): Elliot Androphy NCGC Assay Overview: Spinal muscular atrophy (SMA) is caused by insufficient levels of the survival motor neuron protein SMN. The SMN locus on chromosome 5q13 contains two inverted copies of SMN called SMN1 and SMN2 which are 99% identical at the amino acid level. SMN1 is a fully functional protein and SMN2 skips exon 7 90% of t... aid1733.table aid1733.tbin
1734 26 Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Grant Title: Identification of Novel Modulators of Cl- dependent Transport Process via HTS Grant Number: R21NS053658-01 Cation-chloride cotransporters such as K-Cl cotransport and Na-K-2Cl cotransport play major roles in a variety of physiological settings, including the modulation of GABAergic synaptic transmission. For instance, KCC2, a neuronal-spe... aid1734.table aid1734.tbin
1735 45 Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Grant Title: Identification of Novel Modulators of Cl- dependent Transport Process via HTS Grant Number: R21NS053658-01 Cation-chloride cotransporters such as K-Cl cotransport and Na-K-2Cl cotransport play major roles in a variety of physiological settings, including the modulation of GABAergic synaptic transmission. For instance, KCC2, a neuronal-spe... aid1735.table aid1735.tbin
1736 609 Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Grant Title: Identification of Novel Modulators of Cl- dependent Transport Process via HTS Grant Number: R21NS053658-01 Cation-chloride cotransporters such as K-Cl cotransport and Na-K-2Cl cotransport play major roles in a variety of physiological settings, including the modulation of GABAergic synaptic transmission. For instance, KCC2, a neuronal-spe... aid1736.table aid1736.tbin
1737 62 Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Grant Title: Identification of Novel Modulators of Cl- dependent Transport Process via HTS Grant Number: R21NS053658-01 Cation-chloride cotransporters such as K-Cl cotransport and Na-K-2Cl cotransport play major roles in a variety of physiological settings, including the modulation of GABAergic synaptic transmission. For instance, KCC2, a neuronal-spe... aid1737.table aid1737.tbin
1738 45 Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Grant Title: Identification of Novel Modulators of Cl- dependent Transport Process via HTS Grant Number: R21NS053658-01 Cation-chloride cotransporters such as K-Cl cotransport and Na-K-2Cl cotransport play major roles in a variety of physiological settings, including the modulation of GABAergic synaptic transmission. For instance, KCC2, a neuronal-spe... aid1738.table aid1738.tbin
1739 88 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Probe Production centers Network [MLPCN] MLPCN Grant: R03 MH084179-01 Assay Submitter (PI): Elliot Androphy NCGC Assay Overview: Spinal muscular atrophy (SMA) is caused by insufficient levels of the survival motor neuron protein SMN. The SMN locus on chromosome 5q13 contains two inverted copies of SMN called SMN1 and SMN2 which are 99% identical at the amino acid level. SMN1 is a fully functional protein and SMN2 skips exon 7 90% of t... aid1739.table aid1739.tbin
1740 88 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Probe Production centers Network [MLPCN] MLPCN Grant: R03 MH084179-01 Assay Submitter (PI): Elliot Androphy NCGC Assay Overview: Spinal muscular atrophy (SMA) is caused by insufficient levels of the survival motor neuron protein SMN. The SMN locus on chromosome 5q13 contains two inverted copies of SMN called SMN1 and SMN2 which are 99% identical at the amino acid level. SMN1 is a fully functional protein and SMN2 skips exon 7 90% of t... aid1740.table aid1740.tbin
1741 1665 Assay Provider: P. Jeffery Conn Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of novel allosteric modulators of the M1 muscarinic receptor Grant Number: 1 R03 MH077606-01 The M1 muscarinic receptor is thought to be an important therapeutic target in schizophrenia. A cell-based fluorometric calcium assay was developed for high throughput screening. This assay was used to identify compounds with high selectivity for the M1 receptor subtype that act at an allosteric site ... aid1741.table aid1741.tbin
1742 10 qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] MLSCN Grant: 1X01MH082406-01 Assay Submitter (PI): Dr. Wei Zheng, NCGC/NIH NCGC Assay Overview: The Ras/extracellular-signal-regulated kinase (ERK) mitogen activated protein (MAP) kinase signaling pathway (ERK1/2 cascade) plays is a key role in transmitting signals from the cell surface to the nucleus (Nishida ... aid1742.table aid1742.tbin
1743 4 Assay Provider: P. Jeffrey Conn Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of novel allosteric modulators of the M1 muscarinic receptor Grant Number: 1 R03 MH077606-01 The M1 muscarinic receptor is thought to be an important therapeutic target in schizophrenia. A cell-based fluorometric calcium assay was developed for high throughput screening. This assay was used to identify compounds with high selectivity for the M1 receptor subtype that act at an allosteric site ... aid1743.table aid1743.tbin
1744 8 Assay Provider: P. Jeffrey Conn Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of novel allosteric modulators of the M1 muscarinic receptor Grant Number: 1 R03 MH077606-01 The M1 muscarinic receptor is thought to be an important therapeutic target in schizophrenia. A cell-based fluorometric calcium assay was developed for high throughput screening. This assay was used to identify compounds with high selectivity for the M1 receptor subtype that act at an allosteric site ... aid1744.table aid1744.tbin
1745 3 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number: X01 MH083230-01 Assay Provider: Dr. Dmitri Rozanov, Sanford-Burnham Medical Research Institute, San Diego CA Cytotoxic chemotherapy induces apoptosis via a pathway involving mitochondria, sometimes referred to as the "intrinsic pathway." An acquired resistance to a... aid1745.table aid1745.tbin
1746 3 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number: X01 MH083230-01 Assay Provider: Dr. Dmitri Rozanov, Sanford-Burnham Medical Research Institute, San Diego CA Cytotoxic chemotherapy induces apoptosis via a pathway involving mitochondria, sometimes referred to as the "intrinsic pathway." An acquired resistance to a... aid1746.table aid1746.tbin
1747 3 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number: X01 MH083230-01 Assay Provider: Dr. Dmitri Rozanov, Sanford-Burnham Medical Research Institute, San Diego CA Cytotoxic chemotherapy induces apoptosis via a pathway involving mitochondria, sometimes referred to as the "intrinsic pathway." An acquired resistance to a... aid1747.table aid1747.tbin
1748 3 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number: X01 MH083230-01 Assay Provider: Dr. Dmitri Rozanov, Sanford-Burnham Medical Research Institute, San Diego CA Cytotoxic chemotherapy induces apoptosis via a pathway involving mitochondria, sometimes referred to as the "intrinsic pathway." An acquired resistance to a... aid1748.table aid1748.tbin
1749 139 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Proposal Number: MH081277-01 Assay Provider: John C. Reed, Sanford-Burnham Medical Research Institute, San Diego, CA This XIAP dose response assay is developed and performed to confirm hits originally identified in the XIAP HTS binding assay (AID 1018) and to study the struc... aid1749.table aid1749.tbin
1750 139 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Proposal Number: MH081277-01 Assay Provider: John C. Reed, Sanford-Burnham Medical Research Institute, San Diego, CA This dose response assay is developed and performed as a counter screen to compounds in the Chemical Antagonists of IAP-family anti-apoptotic proteins confirm... aid1750.table aid1750.tbin
1751 125 NIH Chemical Genomics Center [NCGC] Matthew G. Vander Heiden, M.D., Ph.D. [Harvard Medical School, 77 Avenue Louis Pasteur, Boston, MA 02115] MLPCN Grant: 1 R03 MH085679-01 NCGC Assay Overview: Human pyruvate kinase muscle 2 (hPK-M2) enzyme was supplied as a highly purified (>95% pure) preparation from Harvard Medical School and assayed for its ability to generate ATP from ADP using phosphoenolpyruvate (PEP) as a substrate. ATP generation was detected in a coupled reaction by luciferase-mediated... aid1751.table aid1751.tbin
1752 10 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number: X01 MH083230-01 Assay Provider: Dr. Dmitri Rozanov, Sanford-Burnham Medical Research Institute, San Diego CA This dose response assay is developed and performed to confirm hits originally identified in "uHTS for the identification of compounds that potentiate TRAIL... aid1752.table aid1752.tbin
1753 62 Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Grant Title: Identification of Novel Modulators of Cl- dependent Transport Process via HTS Grant Number: R21NS053658-01 Cation-chloride cotransporters such as K-Cl cotransport and Na-K-2Cl cotransport play major roles in a variety of physiological settings, including the modulation of GABAergic synaptic transmission. For instance, KCC2, a neuronal-spe... aid1753.table aid1753.tbin
1754 10 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number: X01 MH083230-01 Assay Provider: Dr. Dmitri Rozanov, Sanford-Burnham Medical Research Institute, San Diego CA This dose response assay is developed and performed to confirm hits originally identified in "Identification of compounds which are cytotoxic to PPC-1 cells... aid1754.table aid1754.tbin
1755 10 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number: X01 MH083230-01 Assay Provider: Dr. Dmitri Rozanov, Sanford-Burnham Medical Research Institute, San Diego CA This assay was developed and performed to confirm hits originally identified in "uHTS for the identification of compounds that potentiate TRAIL-induced apop... aid1755.table aid1755.tbin
1756 10 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number: X01 MH083230-01 Assay Provider: Dr. Dmitri Rozanov, Sanford-Burnham Medical Research Institute, San Diego CA This dose response assay was developed and performed to determine the cytotoxicity of hits, originally identified in "Identification of compounds which are ... aid1756.table aid1756.tbin
1757 4 Assay Provider: P. Jeffrey Conn Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of novel allosteric modulators of the M1 muscarinic receptor Grant Number: 1 R03 MH077606-01 The M1 muscarinic receptor is thought to be an important therapeutic target in schizophrenia. A cell-based fluorometric calcium assay was developed for high throughput screening. This assay was used to identify compounds with high selectivity for the M1 receptor subtype that act at an allosteric site ... aid1757.table aid1757.tbin
1758 1 University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) Assay Background and Significance: The objective of the HTS associated wit... aid1758.table aid1758.tbin
1759 1 University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) Assay Background and Significance: The objective of the HTS associated wit... aid1759.table aid1759.tbin
1760 1 University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) Assay Background and Significance: The objective of the HTS associated wit... aid1760.table aid1760.tbin
1761 1 University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) Assay Background and Significance: The objective of the HTS associated wit... aid1761.table aid1761.tbin
1762 1 University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) Assay Background and Significance: The objective of the HTS associated wit... aid1762.table aid1762.tbin
1763 1 University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) Assay Background and Significance: The objective of the HTS associated wit... aid1763.table aid1763.tbin
1764 4 Assay Provider: P. Jeffrey Conn Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of novel allosteric modulators of the M1 muscarinic receptor Grant Number: 1 R03 MH077606-01 The M1 muscarinic receptor is thought to be an important therapeutic target in schizophrenia. A cell-based fluorometric calcium assay was developed for high throughput screening. This assay was used to identify compounds with high selectivity for the M1 receptor subtype that act at an allosteric site ... aid1764.table aid1764.tbin
1765 3 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN)) Grant Number: X01 MH083230-01 Assay Provider: Dr. Dmitri Rozanov, Sanford-Burnham Medical Research Institute, San Diego CA This dose response assay was developed and performed to explore the mechanism of action for hits originally identified in "uHTS for the identification of co... aid1765.table aid1765.tbin
1766 292510 qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Probe Centers Network [MLPCN] MLPCN Grant: MH084875-01A1 Assay Submitter (PI): Jolanta Grembecka, Tomasz Cierpicki, University of Virginia Translocations of the MLL (Mixed Lineage Leukemia) gene are frequently found in human leukemias affecting both children and adults. Fusion of MLL to one of more than 60 genes results in generation of oncogenic pro... aid1766.table aid1766.tbin
1767 4 Assay Provider: P. Jeffrey Conn Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of novel allosteric modulators of the M1 muscarinic receptor Grant Number: 1 R03 MH077606-01 The M1 muscarinic receptor is thought to be an important therapeutic target in schizophrenia. A cell-based fluorometric calcium assay was developed for high throughput screening. This assay was used to identify compounds with high selectivity for the M1 receptor subtype that act at an allosteric site ... aid1767.table aid1767.tbin
1768 266676 qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Probe Centers Network [MLPCN] MLPCN Grant: MH084875-01A1 Assay Submitter (PI): Jolanta Grembecka, Tomasz Cierpicki, University of Virginia Translocations of the MLL (Mixed Lineage Leukemia) gene are frequently found in human leukemias affecting both children and adults. Fusion of MLL to one of more than 60 genes results in generation of oncogenic pro... aid1768.table aid1768.tbin
1769 1133 University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Profiling Assay Background and Significance: The objective of the HTS associated with this counterscreen was to identify small molecule regula... aid1769.table aid1769.tbin
1770 1352 NIH Molecular Libraries Probe Production Centers Network [MLPCN] NIH Chemical Genomics Center [NCGC] MLPCN Grant: 1R03MH084827-01 Assay Submitter (PI): Tom Misteli NCGC Assay Overview: Clk4 (Invitrogen, cat# PV3839) was assayed using ATP and the RS repeat peptide (AnaSpec cat # 61722) as substrates. Following the Clk4 reaction, the remaining ATP levels were detected using Promega Kinase-Glo technology wherein the remaining ATP from the kinase reaction is detected using Ultra-Glo luciferase and D... aid1770.table aid1770.tbin
1771 1352 NIH Molecular Libraries Probe Production Centers Network [MLPCN] NIH Chemical Genomics Center [NCGC] MLPCN Grant: 1R03MH084827-01 Assay Submitter (PI): Tom Misteli NCGC Assay Overview: Clk4 (Invitrogen, cat# PV3839) was assayed using ATP and the RS repeat peptide (AnaSpec cat # 61722) as substrates. In the assay, the ADP levels were detected using Promega ADP-Glo technology wherein the remaining ATP from the kinase reaction is first depleted with an ATPase reagent followed by a reagent that cont... aid1771.table aid1771.tbin
1772 5 University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Lin Hong, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Assay Background and Significance: This report summarizes the series of assays used to identify small molecule regulators of Ras and... aid1772.table aid1772.tbin
1773 1 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number: X01 MH083230-01 Assay Provider: Dr. Dmitri Rozanov, Sanford-Burnham Medical Research Institute, San Diego CA This assay was developed and performed to confirm hits originally identified in "uHTS for the identification of compounds that potentiate TRAIL-induced apop... aid1773.table aid1773.tbin
1774 1 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number: X01 MH083230-01 Assay Provider: Dr. Dmitri Rozanov, Sanford-Burnham Medical Research Institute, San Diego CA This assay was developed and performed to confirm hits originally identified in "uHTS for the identification of compounds that potentiate TRAIL-induced apop... aid1774.table aid1774.tbin
1775 217624 University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interactions PI: Richard Neubig, Ph.D. Assay Implementation: Yang Wu Ph.D., Mark Haynes Ph.D., Anna Waller Ph.D., Mark Carter M.S. Target Team Leader for the Center: Larry Sklar, Ph.D., (lsklar@salud.unm.edu) Assay Background and Significance: Innate fluorescence from testing compounds could potentially affect response measurements during screening. For the mu... aid1775.table aid1775.tbin
1776 194920 University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein interactions PI: Larry Sklar, Ph.D. Assay Implementatiion: Peter Simons Ph.D, Susan Young MS, Anna Waller Ph.D, Mark Carter M.S. Target Team Leader for the Center: Larry Sklar, Ph.D., (lsklar@salud.unm.edu) Assay Background and Significance: Innate fluorescence from testing compounds could potentially affect response measurements during screening. Fo... aid1776.table aid1776.tbin
1777 284220 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number: 1X01DA026208-01 Assay Provider: Dr. Lawrance Barak , Duke University, Durham NC Drug addiction is a disease originating in the central nervous system that produces compulsive behaviors despite the negative consequences that may result. Major addictive drugs of abus... aid1777.table aid1777.tbin
1778 290509 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number: 1X01DA026208-01 Assay Provider: Dr. Lawrance Barak , Duke University, Durham NC Drug addiction is a disease originating in the central nervous system that produces compulsive behaviors despite the negative consequences that may result. Major addictive drugs of abus... aid1778.table aid1778.tbin
1779 292483 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number: 1R21NS056945-01 Assay Provider: Dr. Nunzio Bottini, San Diego Institute for Allergy and Immunology CA LYP, is a lymphocyte specific protein tyrosine phosphatase that plays a critical regulatory role in T cell receptor signaling. The PTPN22 gene encodes this phospha... aid1779.table aid1779.tbin
1780 113 Confirmatory assay NIH Chemical Genomics Center [NCGC] Matthew G. Vander Heiden, M.D., Ph.D. [Harvard Medical School, 77 Avenue Louis Pasteur, Boston, MA 02115] NCGC Assay Overview: Human pyruvate kinase liver (hPK-M1) enzyme was supplied as a highly purified (>95% pure) preparation from Harvard Medical School and assayed for its ability to generate ATP from ADP using phosphoenolpyruvate (PEP) as a substrate. ATP generation was detected in a coupled reaction by luciferase-mediated luminescence,... aid1780.table aid1780.tbin
1781 113 Confirmatory assay NIH Chemical Genomics Center [NCGC] Matthew G. Vander Heiden, M.D., Ph.D. [Harvard Medical School, 77 Avenue Louis Pasteur, Boston, MA 02115] NCGC Assay Overview: Human pyruvate kinase liver (hPK-L) enzyme was supplied as a highly purified (>95% pure) preparation from Harvard Medical School and assayed for its ability to generate ATP from ADP using phosphoenolpyruvate (PEP) as a substrate. ATP generation was detected in a coupled reaction by luciferase-mediated luminescence, ... aid1781.table aid1781.tbin
1782 113 Confirmatory assay NIH Chemical Genomics Center [NCGC] Wael M. Rabeh, Lyudmila Nedyalkova and Hee-Wan Park [Structural Genomics Consortium, 100 College St. Toronto, Ontario, Canada] NCGC Assay Overview: Human pyruvate kinase reticulocyte (hPK-R) enzyme was supplied as a highly purified (>95% pure) preparation from Structural Genomics Consortium in Toronto (Ontario, Canada) and assayed for its ability to generate ATP from ADP using phosphoenolpyruvate (PEP) as a substrate. ATP generation was det... aid1782.table aid1782.tbin
1783 1658 University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interactions PI: Richard Neubig, Ph.D. Assay Implementation: Yang Wu Ph.D., Mark Haynes Ph.D., Anna Waller Ph.D., Mark Carter M.S. Target Team Leader for the Center: Larry Sklar, Ph.D., (lsklar@salud.unm.edu) Assay Background and Significance: The multiplex screen of RGS (AID:1415, 1423, 1439, 1440, 1441) is a bead-based assay with biotinylated proteins pre-in... aid1783.table aid1783.tbin
1785 2 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number: 1X01DA026208-01 Assay Provider: Dr. Lawrance Barak , Duke University, Durham NC Drug addiction is a disease originating in the central nervous system that produces compulsive behaviors despite the negative consequences that may result. Major addictive drugs of abus... aid1785.table aid1785.tbin
1786 2 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number: 1X01DA026208-01 Assay Provider: Dr. Lawrance Barak , Duke University, Durham NC Drug addiction is a disease originating in the central nervous system that produces compulsive behaviors despite the negative consequences that may result. Major addictive drugs of abus... aid1786.table aid1786.tbin
1787 1 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number: X01 MH083230-01 Assay Provider: Dr. Dmitri Rozanov, Sanford-Burnham Medical Research Institute, San Diego CA This dose response assay is developed and performed to confirm hits originally identified in "uHTS for the identification of compounds that potentiate TRAIL... aid1787.table aid1787.tbin
1788 1 Assay Provider: P. Jeffrey Conn Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of novel allosteric modulators of the M1 muscarinic receptor Grant Number: 1 R03 MH077606-01 The M1 muscarinic receptor is thought to be an important therapeutic target in schizophrenia. A cell-based fluorometric calcium assay was developed for high throughput screening. This assay was used to identify compounds with high selectivity for the M1 receptor subtype that act at an allosteric site ... aid1788.table aid1788.tbin
1789 290893 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Robert Matts, Oklahoma State University Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 X01 MH083240-01 Grant Proposal PI: Robert Matts, Oklahoma State University External Assay ID: HSP90_INH_LUMI_1536_%INH Name: Luminescence-based primary biochemical high throughput screening assay ... aid1789.table aid1789.tbin
1790 5 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Benjamin Cravatt, TSRI Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R01 CA087660-05 Fast Track Grant Proposal PI: Benjamin Cravatt, TSRI External Assay ID: RBBP9_INH_PROBES_SUMMARY Name: Summary of probe development efforts to identify inhibitors of Retinoblastoma binding protein ... aid1790.table aid1790.tbin
1791 4 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assay Provider: Claes Wahlestedt, Scripps Florida Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1 R21 NS056950-01 Grant Proposal PI: Claes Wahlestedt External Assay ID: NPY-Y2_ANT_LEADS_SUMMARY Probes Name: Summary of probe development efforts to identify antagonists of neuropeptide Y receptor Y2 (NPY-Y2). Descripti... aid1791.table aid1791.tbin
1792 16000 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assay Provider: Gary Bokoch, TSRI Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R03 MH083264-01A1 Grant Proposal PI: Gary Bokoch External Assay ID: NOX1_INH_LUMI_384_%INH Name: Luminescence-based primary cell-based high throughput screening assay to identify inhibitors of NADPH oxidase 1 (Nox1): Maybridge L... aid1792.table aid1792.tbin
1793 1 Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Grant Title: Identification of Novel Modulators of Cl- dependent Transport Process via HTS Grant Number: R21NS053658-01 Cation-chloride cotransporters such as K-Cl cotransport and Na-K-2Cl cotransport play major roles in a variety of physiological settings, including the modulation of GABAergic synaptic transmission. For instance, KCC2, a neuronal-spe... aid1793.table aid1793.tbin
1794 1 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Raymond Deshaies, California Institute of Technology Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R03 MH085687-01 Grant Proposal PI: Raymond Deshaies, California Institute of Technology External Assay ID: P97_INH_LEADS_SUMMARY Name: Summary of probe development efforts to identify... aid1794.table aid1794.tbin
1795 1352 NIH Molecular Libraries Probe Production Centers Network [MLPCN] NIH Chemical Genomics Center [NCGC] MLPCN Grant: 1R03MH084827-01 Assay Submitter (PI): Tom Misteli NCGC Assay Overview: Clk4 (Invitrogen cat # PV3839) was assayed using ATP and the RS repeat peptide (AnaSpec cat # 61722) as substrates using Transcreener (trade mark), a competitive fluorescence polarization (FP) assay [1]. For the present assay, we used the Orange TranscreenerTM ADP2 (BellBrooks Labs, Madison, Wis) detection syste... aid1795.table aid1795.tbin
1796 2 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assay Provider: Gary Bokoch, TSRI Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R03 MH083264-01A1 Grant Proposal PI: Gary Bokoch External Assay ID: NOX1_INH_LEADS_SUMMARY Name: Summary of probe development efforts to identify inhibitors of NADPH oxidase 1 (Nox1) Description: Host defense mechanisms are d... aid1796.table aid1796.tbin
1798 1 Assay Provider: P. Jeffery Conn Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of novel allosteric modulators of the M1 muscarinic receptor Grant Number: 1 R03 MH077606-01 Screening Center Name & PI: Vanderbilt Screening Center for GPCRs, Ion Channels, and Transporters, David Weaver Chemistry Center Name & PI: Vanderbilt Specialized Chemistry Center for Accelerated Probe Development, Craig Lindsley The M1 muscarinic receptor is thought to be an important therapeutic tar... aid1798.table aid1798.tbin
1799 1 Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Grant Title: Identification of Novel Modulators of Cl- dependent Transport Process via HTS Grant Number: R21NS053658-01 Screening Center Name & PI: Vanderbilt Screening Center for GPCRs, Ion Channels, and Transporters, David Weaver Chemistry Center Name & PI: Vanderbilt Specialized Chemistry Center for Accelerated Probe Development, Craig Lindsley Ca... aid1799.table aid1799.tbin
1800 290893 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: David Frick, New York Medical College Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R03 MH085690-01 Grant Proposal PI: David Frick, New York Medical College External Assay ID: NS3HCVDNA_INH_FLINT_1536_%INH Name: Fluorescence-based primary biochemical high throughput screening assay... aid1800.table aid1800.tbin
1801 2 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Michael Oldstone, TSRI Network: Molecular Library Probe Production Center Network (MLPCN) Grant Proposal Number: U01 AI074564 Fast Track Grant Proposal PI: Michael Oldstone, TSRI External Assay ID: S1P4_AG_LEADS_SUMMARY Name: Summary of probe development efforts to identify agonists of Sphingosine 1-Phosphate Receptor 4 (S1P4) D... aid1801.table aid1801.tbin
1803 55 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: David Frank, Dana Farber Cancer Institute Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 X01 MH079826-01 Grant Proposal PI: David Frank, Dana Farber Cancer Institute External Assay ID: STAT1_INH_LEADS_SUMMARY Name: Summary of probe development efforts to identify inhibitors of signal transdu... aid1803.table aid1803.tbin
1805 2 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: David Frank, Dana Farber Cancer Institute Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1 X01 MH079826-01 Grant Proposal PI: David Frank, Dana Farber Cancer Institute External Assay ID: STAT3_ACT_LEADS_SUMMARY Name: Summary of probe development efforts to identify activators of signal transducer and ac... aid1805.table aid1805.tbin
1806 2 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: David Frank, Dana Farber Cancer Institute Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1 X01 MH079826-01 Grant Proposal PI: David Frank, Dana Farber Cancer Institute External Assay ID: STAT3_INH_LEADS_SUMMARY Name: Summary of probe development efforts to identify inhibitors of signal transducer and ac... aid1806.table aid1806.tbin
1807 1 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Nagi Ayad, TSRI Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1R21NS056991-01 Grant Proposal PI: Nagi Ayad, TSRI External Assay ID: WEE1DEG_INH_LEADS_SUMMARY Name: Summary of probe development efforts to identify inhibitors of WEE1 degradation Description: Cell cycle progression and entry ... aid1807.table aid1807.tbin
1809 2 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Stefan Heller, Stanford University Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number 1 R03 MH083077-01 Grant Proposal PI: Stefan Heller, Stanford University External Assay ID: TRPML3_AG_LEADS_SUMMARY Name: Summary of probe development efforts to identify agonists of the transient receptor... aid1809.table aid1809.tbin
1811 3073 This data entry provides a collection of experimentally measured binding affinity data (Kd, Ki, and IC50), which are exclusively for the protein-ligand complexes available in the Protein Data Bank (PDB). All of the binding affinity data compiled in this data entry are cited from original references. This work is contributed by the PDBbind database. aid1811.table aid1811.tbin
1813 303857 Broad Institute MLPCN Alpha-Synuclein 5'UTR Project Project ID: 2023 Keywords: alpha-synuclein, Parkinson's disease, translation, RNA stem-loop, 5'-untranslated region Primary Collaborators: Jack T. Rogers, Massachusetts General Hospital, jtrogers@rics.bwh.harvard.edu, 617-726-8838, Charlestown, MA Project Overview: The goal of this project is to identify novel small molecule probes that inhibit alpha-synuclein translational expression in dopaminergic neurons by targeting the 5'-untranslate... aid1813.table aid1813.tbin
1814 303857 Broad Institute MLPCN Alpha-Synuclein 5'UTR Project Project ID: 2023 Keywords: alpha-synuclein, Parkinson's disease, translation, RNA stem-loop, 5'-untranslated region Primary Collaborators: Jack T. Rogers, Mass General Hospital, jtrogers@rics.bwh.harvard.edu, 617-726-8838, Charlestown, MA Project Overview: The goal of this project is to identify novel small molecule probes that increase alpha-synuclein translational expression in dopaminergic neurons by targeting the 5'-untranslated region... aid1814.table aid1814.tbin
1815 1279 NIH Molecular Libraries Probe Production Network [MLPCN] NIH National Institute of Allergy and Infectious Diseases [NIAID] NIH Chemical Genomics Center [NCGC] MLPCN Grant: None Assay Provider: Xinzhuan Su, NIAID NCGC Assay Overview: Plasmodium falciparum is a virulent malarial parasite that kills 1-2 million people worldwide each year. Transmitted by mosquitoes, the sporozoite form of the parasite enters the blood stream to infect hepatocytes, where they become merozoites that infect red blood... aid1815.table aid1815.tbin
1816 1279 NIH Molecular Libraries Probe Production Network [MLPCN] NIH National Institute of Allergy and Infectious Diseases [NIAID] NIH Chemical Genomics Center [NCGC] MLPCN Grant: None Assay Provider: Xinzhuan Su, NIAID NCGC Assay Overview: Plasmodium falciparum is a virulent malarial parasite that kills 1-2 million people worldwide each year. Transmitted by mosquitoes, the sporozoite form of the parasite enters the blood stream to infect hepatocytes, where they become merozoites that infect red blood... aid1816.table aid1816.tbin
1817 292483 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number: 1 R03 MH086475-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute, San Diego CA Proteasomal degradation typically requires post-translational modification of target proteins with K48-linked polyubiquitin chains. This process of protein ... aid1817.table aid1817.tbin
1818 1 University of New Mexico Assay Overview: Assay Support: 1R03MH081228-01A1 High-throughput multiplex screening for ABC transporter inhibitors Assay Provider: Richard Larson Assay Development: Irena Ivnitski-Steele PhD, J. Jacob Strouse PhD Assay Implementation: J. Jacob Strouse PhD, Irena Ivnitski-Steele PhD, Terry Foutz, Anna Waller, Mark Carter Screening Center PI: Larry Sklar Assay Background and Significance: The three major types of multidrug resistance (MDR) proteins in humans inclu... aid1818.table aid1818.tbin
1821 100 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Michael Oldstone, TSRI Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number: U01 AI074564 Fast Track Grant Proposal PI: Michael Oldstone, TSRI External Assay ID: S1P1_ANT_BLA_1536_3XIC50 Name: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput... aid1821.table aid1821.tbin
1822 290893 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: John Dalton and Donald Gardiner, Queensland Institute of Medical Research, Australia Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number 1 R03 MH084103-01 Grant Proposal PI: John Dalton and Donald Gardiner, Queensland Institute of Medical Research, Australia External Assay ID: PFM18AAP_INH_FLINT_1536_%INH Nam... aid1822.table aid1822.tbin
1823 16000 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assay Provider: Gary Bokoch, TSRI Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R03 MH083264-01A1 Grant Proposal PI: Gary Bokoch External Assay ID: LUMINOL_INH_LUMI_384_%INH Name: Luminescence-based counterscreen for inhibitors of NADPH oxidase 1 (Nox1): biochemical high throughput screening assay to identi... aid1823.table aid1823.tbin
1825 290893 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Vincent Yang, Emory University Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number 1-R03-DA026215-01 Grant Proposal PI: Vincent Yang External Assay ID: IEC6CYTOX_INH_LUMI_1536_%INH Name: Luminescence-based counterscreen assay for KLF5 inhibitors: cell-based high throughput screening assay to identify cytotox... aid1825.table aid1825.tbin
1827 2 Broad Institute of MIT and Harvard, Cambridge MA NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number 1-R21-NS-059434-01 Internal Project ID: 2023 Keywords: alpha-synuclein, Parkinson's disease, translation, RNA stem-loop, 5'-untranslated region Primary Collaborators: Jack T. Rogers, Massachusetts General Hospital, Charlestown, MA, jtrogers@rics.bwh.harvard.edu Probes: ML150 Project Overview: The goal of this project is to identify novel small molecule probes tha... aid1827.table aid1827.tbin
1828 1279 NIH Molecular Libraries Probe Production Network [MLPCN] NIH National Institute of Allergy and Infectious Diseases [NIAID] NIH Chemical Genomics Center [NCGC] MLPCN Grant: None Assay Provider: Xinzhuan Su, NIAID NCGC Assay Overview: Plasmodium falciparum is a virulent malarial parasite that kills 1-2 million people worldwide each year. Transmitted by mosquitoes, the sporozoite form of the parasite enters the blood stream to infect hepatocytes, where they become merozoites that infect red bloo... aid1828.table aid1828.tbin
1832 301856 Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interaction, gene regulation, MEX-5, POS-1, embryonic development Primary Collaborators: Sean Ryder, U. Mass Medical School, sean.ryder@umassmed.edu Project Overview: In most organisms, the body axes and founding tissue types are formed prior to the onset of zygotic transcription. Thus, post-transcriptional regulation of maternal transcripts by maternally ... aid1832.table aid1832.tbin
1834 610 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Vincent Yang, Emory University Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number 1-R03-DA026215-01 Grant Proposal PI: Vincent Yang External Assay ID: KLF5_INH_LUMI_1536_3X%INH Name: Luminescence-based confirmation cell-based high throughput screening assay to identify inhibitors of kruppel-like factor 5 (KL... aid1834.table aid1834.tbin
1835 2405 Data Source: Johns Hopkins Ion Channel Center BioAssay Type: Confirmatory, Confirmatory Screening, Single Concentration Activity Observed Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening Center PI: Min Li, Ph.D. Assay Provider: Dr. Sabina Kupershmidt, Vanderbilt University Medical Center Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1R03MH084820-01 Grant... aid1835.table aid1835.tbin
1836 1658 University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interactions PI: Richard Neubig, Ph.D. Assay Implementation: Yang Wu Ph.D., Mark Haynes Ph.D., Anna Waller Ph.D., Mark Carter MS Target Team Leader for the Center: Larry Sklar, Ph.D., (lsklar@salud.unm.edu) Assay Background and Significance: Regulators of G protein signaling (RGS) proteins are a diverse set of intracellular proteins that modulate G protein-c... aid1836.table aid1836.tbin
1837 1658 University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interactions PI: Richard Neubig, Ph.D. Assay Implementation: Yang Wu Ph.D., Mark Haynes Ph.D., Anna Waller Ph.D., Mark Carter MS Target Team Leader for the Center: Larry Sklar, Ph.D., (lsklar@salud.unm.edu) Assay Background and Significance: Regulators of G protein signaling (RGS) proteins are a diverse set of intracellular proteins that modulate G protein-c... aid1837.table aid1837.tbin
1838 1658 University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interactions PI: Richard Neubig, Ph.D. Assay Implementation: Yang Wu Ph.D., Mark Haynes Ph.D., Anna Waller Ph.D., Mark Carter MS Target Team Leader for the Center: Larry Sklar, Ph.D., (lsklar@salud.unm.edu) Assay Background and Significance: Regulators of G protein signaling (RGS) proteins are a diverse set of intracellular proteins that modulate G protein-c... aid1838.table aid1838.tbin
1839 2405 Data Source: Johns Hopkins Ion Channel Center BioAssay Type: Confirmatory, Counter Screening, Single Concentration Activity Observed Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening Center PI: Min Li, Ph.D. Assay Provider: Dr. Sabina Kupershmidt, Vanderbilt University Medical Center Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1R03MH084820-01 Grant Propo... aid1839.table aid1839.tbin
1840 1658 University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interactions PI: Richard Neubig, Ph.D. Assay Implementation: Yang Wu Ph.D., Mark Haynes Ph.D., Anna Waller Ph.D., Mark Carter MS Target Team Leader for the Center: Larry Sklar, Ph.D., (lsklar@salud.unm.edu) Assay Background and Significance: Regulators of G protein signaling (RGS) proteins are a diverse set of intracellular proteins that modulate G protein-c... aid1840.table aid1840.tbin
1841 1658 University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interactions PI: Richard Neubig, Ph.D. Assay Implementation: Yang Wu Ph.D., Mark Haynes Ph.D., Anna Waller Ph.D., Mark Carter MS Target Team Leader for the Center: Larry Sklar, Ph.D., (lsklar@salud.unm.edu) Assay Background and Significance: Regulators of G protein signaling (RGS) proteins are a diverse set of intracellular proteins that modulate G protein-c... aid1841.table aid1841.tbin
1842 10 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: David Ron, New York University Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number R03 MH082370-01 Grant Proposal PI: David Ron, New York University External Assay ID: PERK_INH_LEADS_SUMMARY Name: Summary of probe development efforts to identify inhibitors of RNA-dependent protein kinase (P... aid1842.table aid1842.tbin
1843 3 Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening Center PI: Min Li, Ph.D. Assay Provider: Elena Makhina Ph.D., University of Pittsburgh Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R03 DA026212-01 Grant Proposal PI: Elena Makhina Ph.D., University of Pittsburgh Assay Implementation: Meng Wu Ph.D., Hao-ran Wang Ph.D., Haibo Yu Ph.D., Elena Makhina Ph.D., ... aid1843.table aid1843.tbin
1844 23 Data Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Xiaolin Li, Orphagen Pharmaceuticals, San Diego, CA Network: Molecular Libraries Probe Production Center Network (MLPCN) Grant Proposal Number: 1 X01-MH077624-01 Grant Proposal PI: Xiaolin Li, Orphagen Pharmaceuticals External Assay ID: SF1_INH_PROBES_SUMMARY Name: Summary of probe development efforts to identify inhibitors o... aid1844.table aid1844.tbin
1845 290892 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: David Frick, New York Medical College Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R03 MH085690-01 Grant Proposal PI: David Frick, New York Medical College External Assay ID: DNAETBR_INH_FLINT_1536_%FID Name: Fluorescence-based counterscreen assay for HCV NS3 helicase inhibitors... aid1845.table aid1845.tbin
1846 2291 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Robert Matts, Oklahoma State University Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 X01 MH083240-01 Grant Proposal PI: Robert Matts, Oklahoma State University External Assay ID: HSP90_INH_LUMI_1536_3X%INH Name: Luminescence-based confirmation biochemical high throughput screenin... aid1846.table aid1846.tbin
1847 2291 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Robert Matts, Oklahoma State University Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 X01 MH083240-01 Grant Proposal PI: Robert Matts, Oklahoma State University External Assay ID: NATLUCI_INH_LUMI_1536_3X%INH CSRUN Name: Luminescence-based counterscreen assay for HSP90 inhibitors:... aid1847.table aid1847.tbin
1848 321 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number: 1 R03 MH084844-01 Assay Provider: Dr. John C. Reed, Burham Medical Research Institute, San Diego CA The assay described below is a cytotoxity assay that was a multiplexed together with the luminescent detection of luciferase reporter gene. We utilized the assay's ... aid1848.table aid1848.tbin
1849 546 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number: 1 R03 MH084844-01 Assay Provider: Dr. John C. Reed, Burham Medical Research Institute, San Diego CA The modulation of immune response activity is one of the major goals in the development of novel therapeutics for auto-immune and inflammatory diseases. The innate ... aid1849.table aid1849.tbin
1850 306568 Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Probe Centers Network (MLPCN) Assay Provider: Dr. Jason Harris, Massachusetts General Hospital Assay Rationale and Summary: Salmonella is a genus of rod-shaped Gram-negative enterobacteria that causes typhoid fever, paratyphoid fever, and foodborne illness. Salmonella enterica, serovar Typhimurium, is a leading cause of human gastroenteritis (acute i... aid1850.table aid1850.tbin
1851 17143 NCGC Assay Overview: The P450 gene superfamily is involved in the metabolism and clearance of xenobiotics. This assay used various human CYP P450 isozymes to measure the dealkylation of various pro-luciferin substrates to luciferin. The luciferin is then measured by luminescence after the addition of a luciferase detection reagent. Pro-luciferin substrate concentration in the assay was equal to its KM for its CYP P450 isozyme. Inhibitors and some substrates limit the production of luciferin, and... aid1851.table aid1851.tbin
1852 2481 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number: 1 R03 MH084844-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute, San Diego CA Multiple cellular stimuli acting through various pathways lead to NF-kB induction. The assay described below uses tumor necrosis factor alpha (TNF-a), a can... aid1852.table aid1852.tbin
1853 1 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Michael Oldstone, TSRI Network: Molecular Library Probe Production Center Network (MLPCN) Grant Proposal Number: U01 AI074564 Fast Track Grant Proposal PI: Michael Oldstone, TSRI External Assay ID: S1P4_ANT_LEADS_SUMMARY Name: Summary of probe development efforts to identify antagonists of Sphingosine 1-Phosphate Receptor 4 (S1P4... aid1853.table aid1853.tbin
1854 1 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Peter Hodder, TSRI Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R21 NS059451-01 Fast Track Grant Proposal PI: Peter Hodder, TSRI External Assay ID: VIM-2SELECTIVE_INH_LEADS_SUMMARY Name: Summary of probe development efforts to identify selective inhibitors of VIM-2 metallo-beta-la... aid1854.table aid1854.tbin
1856 1264 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Peter Hodder, TSRI Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R21 NS059451-01 Fast Track Grant Proposal PI: Peter Hodder, TSRI External Assay ID: IMP-1NITRO_INH_EPIABS_1536_3X%INH Name: Epi-absorbance-based counterscreen for selective VIM-2 inhibitors: biochemical high throughpu... aid1856.table aid1856.tbin
1857 1264 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Peter Hodder, TSRI Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R21 NS059451-01 Fast Track Grant Proposal PI: Peter Hodder, TSRI External Assay ID: VIM-2CCF2_INH_FRET_1536_3X%INH Name: FRET-based counterscreen assay for selective VIM-2 inhibitors: biochemical high throughput scree... aid1857.table aid1857.tbin
1860 197 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Peter Hodder, TSRI Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R21 NS059451-01 Fast Track Grant Proposal PI: Peter Hodder, TSRI External Assay ID: VIM-2NITRO_INH_EPIABS_1536_3X%INH Name: Epi-absorbance-based confirmation biochemical high throughput screening assay to identify sel... aid1860.table aid1860.tbin
1861 290893 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assay Provider: Olivier Civelli, University of California, Irvine Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number 1-R03-DA026557-01 Grant Proposal PI: Olivier Civelli External Assay ID: GPR7_ANT_FLUO8_1536_1X%INH Name: Fluorescence-based primary cell-based high throughput screening assay to identify antagonists ... aid1861.table aid1861.tbin
1862 1993 University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. cerevisiae PI: Maggie Werner-Washburne Center PI: Larry Sklar Assay Implementation: Jun Chen, Chris Allen, Susan Young, Anna Waller, Mark Carter Assay Background and Significance: The target of rapamycin, TOR, is a ser/thr protein kinase evolutionarily conserved from yeast to man [Wullschleger, et al. 2006]. TOR functions in two distinct protein... aid1862.table aid1862.tbin
1863 301037 A small molecule screen for inhibitors of the PhoP regulon in Salmonella Typhimurium. Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Probe Centers Network (MLPCN) Assay Provider: Dr. Jason Harris, Massachusetts General Hospital Grant number: 1R21-NS059429-01 Assay Rationale and Summary: Salmonella is a genus of rod-shaped Gram-negative enterobacteria that causes typhoid fever, paratyphoid fever, ... aid1863.table aid1863.tbin
1865 276569 NIH Molecular Libraries Screening Centers Network [MLPCN] NIH Chemical Genomics Center [NCGC] MLSCN Grant: 1 X01 MH079860-01 Assay Provider: Elisabeth D. Martinez, University of Texas SW Medical Center NCGC Assay Overview: The Locus Derepression (LDR) assay detects the derepression or induction of a GFP reporter that is stably integrated in a genomic region of murine cells that is presumably silenced. Transcription of the GFP reporter is controlled by a CMV promoter, which normally is constitut... aid1865.table aid1865.tbin
1866 1264 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Peter Hodder, TSRI Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R21 NS059451-01 Fast Track Grant Proposal PI: Peter Hodder, TSRI External Assay ID: TEM-1NITRO_INH_EPIABS_1536_3X%INH Name: Epi-absorbance-based counterscreen assay for selective VIM-2 inhibitors: biochemical high thr... aid1866.table aid1866.tbin
1867 1993 University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. cerevisiae PI: Maggie Werner-Washburne Center PI: Larry Sklar Assay Implementation: Jun Chen, Chris Allen, Susan Young, Anna Waller, Mark Carter Assay Background and Significance: The target of rapamycin, TOR, is a ser/thr protein kinase evolutionarily conserved from yeast to man [Wullschleger, et al. 2006]. TOR functions in two distinct protein... aid1867.table aid1867.tbin
1868 274908 NIH Molecular Libraries Probe Production Centers Network [MLPCN] NIH Chemical Genomics Center [NCGC] MLPCN Grant: R03 MH085689-01 Assay Submitter (PI): Kent Lai (University of Utah School of Medicine, 50 N Mario Capecchi Drive, Salt Lake City, UT 84132) NCGC Assay Overview: Inherited deficiency of galactose-1-phosphate uridyltransferase (GALT) can result in a potentially lethal disorder called Classic Galactosemia (OMIM 230400). Several lines of evidence indicate that an elevated level of galact... aid1868.table aid1868.tbin
1869 185 University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interactions PI: Richard Neubig, Ph.D. Assay Implementation: Yang Wu Ph.D., Mark Haynes Ph.D., Anna Waller Ph.D., Mark Carter MS Target Team Leader for the Center: Larry Sklar, Ph.D., (lsklar@salud.unm.edu) Assay Background and Significance: Regulators of G protein signaling (RGS) proteins are a diverse set of intracellular proteins that modulate G protein-c... aid1869.table aid1869.tbin
1870 1993 University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. cerevisiae PI: Maggie Werner-Washburne Center PI: Larry Sklar Assay Implementation: Jun Chen, Chris Allen, Susan Young, Anna Waller, Mark Carter Assay Background and Significance: The target of rapamycin, TOR, is a ser/thr protein kinase evolutionarily conserved from yeast to man [Wullschleger, et al. 2006]. TOR functions in two distinct protein... aid1870.table aid1870.tbin
1871 185 University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interactions PI: Richard Neubig, Ph.D. Assay Implementation: Yang Wu Ph.D., Mark Haynes Ph.D., Anna Waller Ph.D., Mark Carter MS Target Team Leader for the Center: Larry Sklar, Ph.D., (lsklar@salud.unm.edu) Assay Background and Significance: Regulators of G protein signaling (RGS) proteins are a diverse set of intracellular proteins that modulate G protein-c... aid1871.table aid1871.tbin
1872 185 University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interactions PI: Richard Neubig, Ph.D. Assay Implementation: Yang Wu Ph.D., Mark Haynes Ph.D., Anna Waller Ph.D., Mark Carter MS Target Team Leader for the Center: Larry Sklar, Ph.D., (lsklar@salud.unm.edu) Assay Background and Significance: Regulators of G protein signaling (RGS) proteins are a diverse set of intracellular proteins that modulate G protein-c... aid1872.table aid1872.tbin
1873 1993 University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. cerevisiae PI: Maggie Werner-Washburne Center PI: Larry Sklar Assay Implementation: Jun Chen, Chris Allen, Susan Young, Anna Waller, Mark Carter Assay Background and Significance: The target of rapamycin, TOR, is a ser/thr protein kinase evolutionarily conserved from yeast to man [Wullschleger, et al. 2006]. TOR functions in two distinct protein... aid1873.table aid1873.tbin
1875 303733 Keywords: mRNA maturation, polyadenylation, reporter gene assay, yeast, gene expression Assay: Yeast which harbor a reporter construct will be screened for elevated levels of beta-galactosidase activity using the luminescent signal from the GalScreen assay. Briefly, cells are lysed after incubation with compounds using the GalScreen reagent and then the luminescent signal is read on a plate reader. Expected Outcome: Compounds which perturb polyadenylation will produce an elevated level of lu... aid1875.table aid1875.tbin
1876 1279 NIH Molecular Libraries Probe Production Network [MLPCN] NIH National Institute of Allergy and Infectious Diseases [NIAID] NIH Chemical Genomics Center [NCGC] MLPCN Grant: None Assay Provider: Xinzhuan Su, NIAID NCGC Assay Overview: Plasmodium falciparum is a virulent malarial parasite that kills 1-2 million people worldwide each year. Transmitted by mosquitoes, the sporozoite form of the parasite enters the blood stream to infect hepatocytes, where they become merozoites that infect red blood... aid1876.table aid1876.tbin
1877 1279 NIH Molecular Libraries Probe Production Network [MLPCN] NIH National Institute of Allergy and Infectious Diseases [NIAID] NIH Chemical Genomics Center [NCGC] MLPCN Grant: None Assay Provider: Xinzhuan Su, NIAID NCGC Assay Overview: Plasmodium falciparum is a virulent malarial parasite that kills 1-2 million people worldwide each year. Transmitted by mosquitoes, the sporozoite form of the parasite enters the blood stream to infect hepatocytes, where they become merozoites that infect red blood... aid1877.table aid1877.tbin
1878 1048 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1 R03 MH084230-01A1 Assay Provider: Dr. Lutz Tautz, Sanford-Burnham Medical Research Institute, San Diego CA Protein tyrosine phosphatases (PTPs) play vital roles in numerous cellular processes and are implicated in a growing number of human diseases, ranging ... aid1878.table aid1878.tbin
1879 380 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Valerie Tokars and Andrew Mesecar, University of Illinois at Chicago (UIC) Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1-R03-MH084162-01A1 Grant Proposal PI: Valerie Tokars and Andrew Mesecar, UIC External Assay ID: 3CLPRO_INH_QFRET_1536_3X%INH Name: QFRET-based confirmation bioche... aid1879.table aid1879.tbin
1880 2 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assay Provider: Olivier Civelli, University of California, Irvine Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number 1-R03-DA026557-01 Grant Proposal PI: Olivier Civelli External Assay ID: GPR7_ANT_PRE-HTS_SUMMARY Name: Summary of probe development efforts to identify antagonists of the G-protein coupled receptor 7... aid1880.table aid1880.tbin
1882 1280 NIH Molecular Libraries Probe Production Network [MLPCN] NIH National Institute of Allergy and Infectious Diseases [NIAID] NIH Chemical Genomics Center [NCGC] MLPCN Grant: None Assay Provider: Xinzhuan Su, NIAID NCGC Assay Overview: Plasmodium falciparum is a virulent malarial parasite that kills 1-2 million people worldwide each year. Transmitted by mosquitoes, the sporozoite form of the parasite enters the blood stream to infect hepatocytes, where they become merozoites that infect red blood... aid1882.table aid1882.tbin
1883 1279 NIH Molecular Libraries Probe Production Network [MLPCN] NIH National Institute of Allergy and Infectious Diseases [NIAID] NIH Chemical Genomics Center [NCGC] MLPCN Grant: None Assay Provider: Xinzhuan Su, NIAID NCGC Assay Overview: Plasmodium falciparum is a virulent malarial parasite that kills 1-2 million people worldwide each year. Transmitted by mosquitoes, the sporozoite form of the parasite enters the blood stream to infect hepatocytes, where they become merozoites that infect red blood... aid1883.table aid1883.tbin
1884 185 University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interactions PI: Richard Neubig, Ph.D. Assay Implementation: Yang Wu Ph.D., Mark Haynes Ph.D., Anna Waller Ph.D., Mark Carter MS Target Team Leader for the Center: Larry Sklar, Ph.D., (lsklar@salud.unm.edu) Assay Background and Significance: Regulators of G protein signaling (RGS) proteins are a diverse set of intracellular proteins that modulate G protein-c... aid1884.table aid1884.tbin
1885 303286 Keywords: Trypanosoma cruzi, Chagas disease Assay Overview: The assay detects intracellular trypanosomes that are replicating inside host cells. NIH3T3 cells are trypsinized, counted, and plated in 384-well tissue culture plates. After plating the NIH3T3 cells, compounds are added to the wells. T. cruzi that are genetically modified to express b-galactosidase are then harvested and active Trypomastigotes form are counted and co-cultured with the NIH3T3 cells. After 90 hours of co-culture, a... aid1885.table aid1885.tbin
1886 1279 NIH Molecular Libraries Probe Production Network [MLPCN] NIH National Institute of Allergy and Infectious Diseases [NIAID] NIH Chemical Genomics Center [NCGC] MLPCN Grant: None Assay Provider: Xinzhuan Su, NIAID NCGC Assay Overview: Plasmodium falciparum is a virulent malarial parasite that kills 1-2 million people worldwide each year. Transmitted by mosquitoes, the sporozoite form of the parasite enters the blood stream to infect hepatocytes, where they become merozoites that infect red blood... aid1886.table aid1886.tbin
1887 1993 University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. cerevisiae PI: Maggie Werner-Washburne Center PI: Larry Sklar Assay Implementation: Jun Chen, Chris Allen, Susan Young, Anna Waller, Mark Carter Assay Background and Significance: The target of rapamycin, TOR, is a ser/thr protein kinase evolutionarily conserved from yeast to man [Wullschleger, et al. 2006]. TOR functions in two distinct protein... aid1887.table aid1887.tbin
1888 185 University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interactions PI: Richard Neubig, Ph.D. Assay Implementation: Yang Wu Ph.D., Mark Haynes Ph.D., Anna Waller Ph.D., Mark Carter MS Target Team Leader for the Center: Larry Sklar, Ph.D., (lsklar@salud.unm.edu) Assay Background and Significance: Regulators of G protein signaling (RGS) proteins are a diverse set of intracellular proteins that modulate G protein-c... aid1888.table aid1888.tbin
1889 1584 Keywords: Platelet, activation, granule, secretion, arterial thrombosis, PAR1, SFLLRN, thrombin receptor Assay Overview: Dense granule release of platelet-rich plasma (PRP) retest at dose. Expired units of PRP obtained from a blood-distribution center were plated in 384-well white assay plates (Aurora, 00030721) on average of 15,600,000 platelets/well in 20ul. PRP was exposed to 1584 cherry picked compounds chosen based on activity of the primary screen and those with similar structure to provi... aid1889.table aid1889.tbin
1890 101 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Valerie Tokars and Andrew Mesecar, University of Illinois at Chicago (UIC) Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1-R03-MH084162-01A1 Grant Proposal PI: Valerie Tokars and Andrew Mesecar, UIC External Assay ID: 3CLPRO_INH_QFRET_1536_3XIC50 Name: QFRET-based dose response bioch... aid1890.table aid1890.tbin
1891 1584 Keywords: Luciferase, luciferin, ATP, CellTiter-Glo, counterscreen, inhibitor, inhibition, platelets, dense granule secreation, Assay Overview: Counter screen for luciferase inhibitors of Dense Granule Secretion. 20ul of 1.5uM ATP (Sigma, #A1852) in PBS is plated in 384-well white assay plates (Aurora, 00030721) and was exposed to the 1584 cherry-picked compounds chosen based on activity of the platelet dense granule release primary screen (AID1663) and structure to compounds with the highest... aid1891.table aid1891.tbin
1892 5942 University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain Interaction PI: Kazuhiro Nakamura, Ph.D Center PI: Larry Sklar, Ph.D Assay Implementatiion: Zurab Surviladze Ph.D, Mark Haynes Ph.D, Anna Waller Ph.D, Mark Carter MS Assay Background and Significance: PB1 (Phox/Bem1p) domains function as protein-protein interaction sites by forming PB1-PB1 domain heterodimers (Moscat, et al. 2006). There are at... aid1892.table aid1892.tbin
1893 5942 University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain Interaction PI: Kazuhiro Nakamura, Ph.D Center PI: Larry Sklar, Ph.D Assay Implementatiion: Zurab Surviladze Ph.D, Mark Haynes Ph.D, Anna Waller Ph.D, Mark Carter MS Assay Background and Significance: PB1 (Phox/Bem1p) domains function as protein-protein interaction sites by forming PB1-PB1 domain heterodimers (Moscat, et al. 2006). There are at... aid1893.table aid1893.tbin
1894 5942 University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain Interaction PI: Kazuhiro Nakamura, Ph.D Center PI: Larry Sklar, Ph.D Assay Implementatiion: Zurab Surviladze Ph.D, Mark Haynes Ph.D, Anna Waller Ph.D, Mark Carter MS Assay Background and Significance: PB1 (Phox/Bem1p) domains function as protein-protein interaction sites by forming PB1-PB1 domain heterodimers (Moscat, et al. 2006). There are at... aid1894.table aid1894.tbin
1895 186 University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain Interaction PI: Kazuhiro Nakamura, Ph.D Center PI: Larry Sklar, Ph.D Assay Implementatiion: Zurab Surviladze Ph.D, Mark Haynes Ph.D, Anna Waller Ph.D, Mark Carter MS Assay Background and Significance: PB1 (Phox/Bem1p) domains function as protein-protein interaction sites by forming PB1-PB1 domain heterodimers (Moscat, et al. 2006). There are at... aid1895.table aid1895.tbin
1896 186 University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain Interaction PI: Kazuhiro Nakamura, Ph.D Center PI: Larry Sklar, Ph.D Assay Implementatiion: Zurab Surviladze Ph.D, Mark Haynes Ph.D, Anna Waller Ph.D, Mark Carter MS Assay Background and Significance: PB1 (Phox/Bem1p) domains function as protein-protein interaction sites by forming PB1-PB1 domain heterodimers (Moscat, et al. 2006). There are at... aid1896.table aid1896.tbin
1897 186 University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain Interaction PI: Kazuhiro Nakamura, Ph.D Center PI: Larry Sklar, Ph.D Assay Implementatiion: Zurab Surviladze Ph.D, Mark Haynes Ph.D, Anna Waller Ph.D, Mark Carter MS Assay Background and Significance: PB1 (Phox/Bem1p) domains function as protein-protein interaction sites by forming PB1-PB1 domain heterodimers (Moscat, et al. 2006). There are at... aid1897.table aid1897.tbin
1898 231 NIH Chemical Genomics Center [NCGC] Matthew G. Vander Heiden, M.D., Ph.D. [Harvard Medical School, 77 Avenue Louis Pasteur, Boston, MA 02115] MLPCN Grant: 1 R03 MH085679-01 NCGC Assay Overview: We have identified a series of activators of the M2 isoform of human pyruvate kinase. The assay described here examines the cytotoxicity of these compounds by measuring the total ATP content of Hela cells after 24 hrs of exposure to compound. aid1898.table aid1898.tbin
1899 302755 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: A.D. Strosberg, TSRI Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number: 1-X01-MH085709-01 Grant Proposal PI: A.D. Strosberg, TSRI External Assay ID: HCVCORE_INH_HTRF_1536_1X%INH Name: TR-FRET-based primary biochemical high-throughput screening assay to identify inhibitors of Hepatitis C Virus (HCV) core pro... aid1899.table aid1899.tbin
1900 3229 Keywords: Streptokinase, inhibition, growth, bacterial, group A streptococcus, virulence, dose response Assay Overview: The strain used for this assay is a control GAS strain, SK(-)GAS carrying the kanamycin resistant gene under the control of an SK-unrelated promoter (Perez-Casal, J Bacteriology, 173 (8), 2617-24, 1991). Compounds that inhibit the streptokinase-independent promoter activity lead to a decrease of the kanamycin resistant gene product and cell death in the presence of kanamycin (... aid1900.table aid1900.tbin
1901 27 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Xiaolin Li, Orphagen Pharmaceuticals, San Diego, CA Network: Molecular Library Probe Production Center Network (MLPCN) Grant Proposal Number: 1 X01-MH077624-01 Grant Proposal PI: Xiaolin Li External Assay ID: RORA_INH_LEADS_SUMMARY Name: Summary of probe development efforts to identify inhibitors of the Retinoic Acid Receptor-rela... aid1901.table aid1901.tbin
1902 3227 Keywords: Streptokinase, inhibition, growth, bacterial, group A streptococcus, virulence, dose response Assay Overview: The strain used for this assay is the same GAS strain used in primary screen carrying the Kanamycin resistant gene under the control of the streptokinase promoter (SKKanGAS). Compounds that inhibit streptokinase promoter activity lead to a decrease of the kanamycin resistant gene product and cell death in the presence of kanamycin (Sigma K1637). Active compounds identified fro... aid1902.table aid1902.tbin
1903 306015 A biochemical assay using the ADP-Hunter methodology, purified TAg, and ATP to identify compounds that inhibit the ATPase activity of Tag Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Probe Centers Network (MLPCN) Assay Provider: Dr. Jeffery Brodsky, University of Pittsburgh Grant number: 1R03MH084077-01 Assay Rationale and Summary: The oncogenic virus Simian Virus 40 (SV40) is a well-characteri... aid1903.table aid1903.tbin
1904 33364 Description: To identify additional clock genes and modifiers, we conducted a genome-wide screen of ~90,000 siRNAs (QIAGEN Inc) in a human cellular model of clock function. Knockdown of nearly a thousand genes reduced rhythm amplitude; these are presumably due to toxic effects on cells. Hundreds of genes potently modified period length or increased amplitude. aid1904.table aid1904.tbin
1905 610 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Vincent Yang, Emory University Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number 1-R03-DA026215-01 Grant Proposal PI: Vincent Yang External Assay ID: IEC6CYTOX_INH_LUMI_1536_3X%INH CSRUN Name: Luminescence-based counterscreen assay for KLF5 inhibitors: cell-based high throughput screening assay to identify ... aid1905.table aid1905.tbin
1906 302755 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: John Dalton and Donald Gardiner, Queensland Institute of Medical Research, Australia Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number 1 R03 MH084103-01 Grant Proposal PI: John Dalton and Donald Gardiner, Queensland Institute of Medical Research, Australia External Assay ID: CTSL1_INH_FLINT_1536_1X%INH Name... aid1906.table aid1906.tbin
1907 1923 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Vincent Yang, Emory University Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number 1-R03-DA026215-01 Grant Proposal PI: Vincent Yang External Assay ID: IEC6CYTOX_INH_LUMI_1536_3X%INH CRUN Name: Luminescence-based confirmation cell-based assay for cytotoxic compounds using the IEC-6 intestinal epithelial cell ... aid1907.table aid1907.tbin
1908 1 University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. cerevisiae PI: Maggie Werner-Washburne Center PI: Larry Sklar Assay Implementatiion: Jun Chen, Chris Allen, Susan Young, Anna Waller, Mark Carter Assay Background and Significance: The target of rapamycin, TOR, is a ser/thr protein kinase evolutionarily conserved from yeast to man [Wullschleger, et al. 2006]. TOR functions in two distinct prot... aid1908.table aid1908.tbin
1910 300409 Keywords: Hypoxia, Hypoxia Inducible Factor (HIF), Hypoxia Responsive Element (HRE), luciferase, transcriptional activation, tissue regeneration, ischemia Assay Overview: Luciferase assay (Steady-Glo, Promega). Primary screen using human osteosarcoma U2OS cells stably over-expressing a plasmid containing 3 copies of the Hypoxia Responsive Element linked to luciferase gene (U2OS HRE-luciferase cells) to identify small molecules inducing an increased luciferase activity in these cells. The small ... aid1910.table aid1910.tbin
1912 128 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Robert Matts, Oklahoma State University Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 X01 MH083240-01 Grant Proposal PI: Robert Matts, Oklahoma State University External Assay ID: NATLUCI_INH_LUMI_1536_3XIC50 CSDRUN Name: Luminescence-based counterscreen assay for HSP90 inhibitors:... aid1912.table aid1912.tbin
1913 128 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Robert Matts, Oklahoma State University Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 X01 MH083240-01 Grant Proposal PI: Robert Matts, Oklahoma State University External Assay ID: HSP90_INH_LUMI_1536_3XIC50 Name: Luminescence-based dose response biochemical high throughput screenin... aid1913.table aid1913.tbin
1914 3266 Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assay is to identify compounds that specifically reduce streptokinase expression without inhibiting cell growth. Active compounds from the primary screen were tested in 6-point, 3-fold dilution doses with starting concentration at 15 uM as follows. GAS UMAA2166 at OD600 equal to 0.015 were plated onto 384-well plates (Corning 3570) and incubated with te... aid1914.table aid1914.tbin
1915 3266 Keywords: Group A streptococcus, GAS, streptokinase, virulence, inhibition, viability, EC50 Assay Overview: This assay measures cell viability and serves as a counter screen to identify compounds that specifically reduce streptokinase expression without inhibiting cell growth. Active compounds from the primary screen were tested in 6-point, 3-fold dilution doses with starting concentration at 15 uM as follows. GAS UMAA2166 at OD600 equal to 0.015 were plated onto 384-well plates (Corning 357... aid1915.table aid1915.tbin
1916 20 Assay Provider: Jerod Denton Assay Provider Affiliation: Vanderbilt University Grant Title: High throughput discovery of novel modulators of ROMK K+ channel activity Grant Number: R21 NS057041-01 The Renal Outer Medullary Potassium channel (ROMK, Kir1.1) is expressed in the renal tubule where it critically regulates fluid and electrolyte homeostasis (Hebert, 2005). An emerging body of evidence suggests that ROMK could be a target for a novel class loop diuretic that lowers blood pressure while ... aid1916.table aid1916.tbin
1917 3033 Assay Provider: Jerod Denton Assay Provider Affiliation: Vanderbilt University Grant Title: High throughput discovery of novel modulators of ROMK K+ channel activity Grant Number: R21 NS057041-01 The Renal Outer Medullary Potassium channel (ROMK, Kir1.1) is expressed in the renal tubule where it critically regulates fluid and electrolyte homeostasis (Hebert, 2005). An emerging body of evidence suggests that ROMK could be a target for a novel class loop diuretic that lowers blood pressure while ... aid1917.table aid1917.tbin
1918 125296 Assay Provider: Jerod Denton Assay Provider Affiliation: Vanderbilt University Grant Title: High throughput discovery of novel modulators of ROMK K+ channel activity Grant Number: R21 NS057041-01 The Renal Outer Medullary Potassium channel (ROMK, Kir1.1) is expressed in the renal tubule where it critically regulates fluid and electrolyte homeostasis (Hebert, 2005). An emerging body of evidence suggests that ROMK could be a target for a novel class loop diuretic that lowers blood pressure while ... aid1918.table aid1918.tbin
1919 123 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Peter Hodder, TSRI Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R21 NS059451-01 Fast Track Grant Proposal PI: Peter Hodder, TSRI External Assay ID: VIM2NITRO_INH_EPIABS_1536_3XIC50 Name: Epi-absorbance-based dose response biochemical high throughput screening assay for selective i... aid1919.table aid1919.tbin
1920 123 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Peter Hodder, TSRI Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R21 NS059451-01 Fast Track Grant Proposal PI: Peter Hodder, TSRI External Assay ID: IMP1NITRO_INH_EPIABS_1536_3XIC50 Name: Epi-absorbance-based counterscreen for selective VIM-2 inhibitors: dose response biochemical h... aid1920.table aid1920.tbin
1921 2 Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of a Highly Selective in vitro and in vivo M4 Positive Allosteric Modulator(PAM) Grant Number: MH077607-1 To date, five muscarinic acetylcholine receptor (mAChR) subtypes have been identified (M1-M5) and play important roles in mediating the actions of ACh in the peripheral and central nervous systems. Of these, M1 and M4 are the most heavily expressed in the CNS and represent attractive th... aid1921.table aid1921.tbin
1922 2 Assay Provider: Jerod Denton Assay Provider Affiliation: Vanderbilt University Grant Title: High throughput discovery of novel modulators of ROMK K+ channel activity Grant Number: R21 NS057041-01 The Renal Outer Medullary Potassium channel (ROMK, Kir1.1) is expressed in the renal tubule where it critically regulates fluid and electrolyte homeostasis (Hebert, 2005). An emerging body of evidence suggests that ROMK could be a target for a novel class loop diuretic that lowers blood pressure while ... aid1922.table aid1922.tbin
1923 39 Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of a Highly Selective in vitro and in vivo M4 Positive Allosteric Modulator(PAM) Grant Number: MH077607-1 To date, five muscarinic acetylcholine receptor (mAChR) subtypes have been identified (M1-M5) and play important roles in mediating the actions of ACh in the peripheral and central nervous systems. Of these, M1 and M4 are the most heavily expressed in the CNS and represent attractive t... aid1923.table aid1923.tbin
1924 1 Assay Provider: Jerod Denton Assay Provider Affiliation: Vanderbilt University Grant Title: High throughput discovery of novel modulators of ROMK K+ channel activity Grant Number: R21 NS057041-01 The Renal Outer Medullary Potassium channel (ROMK, Kir1.1) is expressed in the renal tubule where it critically regulates fluid and electrolyte homeostasis (1). An emerging body of evidence suggests that ROMK could be a target for a novel class loop diuretic that lowers blood pressure while preserving ... aid1924.table aid1924.tbin
1925 123 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Peter Hodder, TSRI Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R21 NS059451-01 Grant Proposal PI: Peter Hodder, TSRI External Assay ID: TEM1NITRO_INH_EPIABS_1536_3XIC50 Name: Epi-absorbance-based counterscreen for selective VIM-2 inhibitors: dose response biochemical high through... aid1925.table aid1925.tbin
1926 123 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Peter Hodder, TSRI Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R21 NS059451-01 Fast Track Grant Proposal PI: Peter Hodder, TSRI External Assay ID: VIM2CCF2_INH_FRET_1536_3XIC50 Name: FRET-based counterscreen for selective VIM-2 inhibitors: dose response biochemical high throughpu... aid1926.table aid1926.tbin
1927 123 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Peter Hodder, TSRI Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R21 NS059451-01 Fast Track Grant Proposal PI: Peter Hodder, TSRI External Assay ID: IMP1CCF2_INH_FRET_1536_3X%IC50 Name: FRET-based counterscreen for selective VIM-2 inhibitors: dose response biochemical high throughp... aid1927.table aid1927.tbin
1928 6 Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of a Highly Selective in vitro and in vivo M4 Positive Allosteric Modulator(PAM) Grant Number: MH077607-1 To date, five muscarinic acetylcholine receptor (mAChR) subtypes have been identified (M1-M5) and play important roles in mediating the actions of ACh in the peripheral and central nervous systems. Of these, M1 and M4 are the most heavily expressed in the CNS and represent attractive th... aid1928.table aid1928.tbin
1929 6 Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of a Highly Selective in vitro and in vivo M4 Positive Allosteric Modulator(PAM) Grant Number: MH077607-1 To date, five muscarinic acetylcholine receptor (mAChR) subtypes have been identified (M1-M5) and play important roles in mediating the actions of ACh in the peripheral and central nervous systems. Of these, M1 and M4 are the most heavily expressed in the CNS and represent attractive th... aid1929.table aid1929.tbin
1930 6 Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of a Highly Selective in vitro and in vivo M4 Positive Allosteric Modulator(PAM) Grant Number: MH077607-1 To date, five muscarinic acetylcholine receptor (mAChR) subtypes have been identified (M1-M5) and play important roles in mediating the actions of ACh in the peripheral and central nervous systems. Of these, M1 and M4 are the most heavily expressed in the CNS and represent attractive th... aid1930.table aid1930.tbin
1931 2 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Gregg Fields, Florida Atlantic University Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 X01 MH078948-01 Grant Proposal PI: Gregg Fields, Florida Atlantic University External Assay ID: MMP13_INH_PROBES_SUMMARY Name: Summary of probe development efforts to identify inhibitors of Matrix ... aid1931.table aid1931.tbin
1932 6 Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of a Highly Selective in vitro and in vivo M4 Positive Allosteric Modulator(PAM) Grant Number: MH077607-1 To date, five muscarinic acetylcholine receptor (mAChR) subtypes have been identified (M1-M5) and play important roles in mediating the actions of ACh in the peripheral and central nervous systems. Of these, M1 and M4 are the most heavily expressed in the CNS and represent attractive th... aid1932.table aid1932.tbin
1933 1155 Keywords: Ras, apoptosis, cancer, VDAC, oxidative cell death Assay: Cell viability of BJ-TERT (BJ fibroblasts transformed with hTERT.) Using CellTiterGlo, which measures the amount of intracellular ATP from living cells, the total amount of viable cells can be measured by luminescence readout. Cells are treated with compounds for 48 hours to allow detection of compounds that may be slower-acting. Expected Outcome: Compounds that are toxic to these transformed fibroblasts, which do not contain... aid1933.table aid1933.tbin
1934 1155 Keywords: Ras, apoptosis, cancer, VDAC, oxidative cell death Assay: Cell viability of DRD (BJ fibroblasts transformed with hTERT, p53DD, CDK4R24C, cyclin D1, genomic SV40 ST oncoprotein, and HRASV12.) Using CellTiterGlo, which measures the amount of intracellular ATP from living cells, the total amount of viable cells can be measured by luminescence readout. Cells are treated with compounds for 48 hours to allow detection of compounds that may be slower-acting. Expected Outcome: Compounds tha... aid1934.table aid1934.tbin
1935 1155 Keywords: Ras, apoptosis, cancer, VDAC, oxidative cell death Assay: Cell viability of BJ-TERT (BJ fibroblasts transformed with hTERT and genomic SV40 LT and ST oncoproteins.) Using CellTiterGlo, which measures the amount of intracellular ATP from living cells, the total amount of viable cells can be measured by luminescence readout. Cells are treated with compounds for 48 hours to allow detection of compounds that may be slower-acting. Expected Outcome: Compounds that are toxic to these trans... aid1935.table aid1935.tbin
1936 1155 Keywords: Ras, apoptosis, cancer, VDAC, oxidative cell death Assay: Cell viability of BJeLR (BJ fibroblasts transformed with hTERT, genomic SV40 LT and ST oncoproteins, and oncogenic HRASV12). Using CellTiterGlo, which measures the amound of intracellular ATP from living cells, the total amount of viable cells can be measured by luminescence readout. Cells are treated with compounds for 48 hours to allow detection of compounds that may be slower-acting. Expected Outcome: Compounds that are to... aid1936.table aid1936.tbin
1937 1 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, Lake Nona, FL) Network: NIH Molecular Libraries Probe Production Network (MLPCN) Grant Proposal Number: Assay Provider: Dr. Layton Smith, Sanford-Burnham Medical Research Institute The binding of test compounds to plasma proteins is an important factor affecting drug efficacy, metabolism and pharmacokinetic properties. In many cases, drug efficacy is determine... aid1937.table aid1937.tbin
1938 4 Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of a Highly Selective in vitro and in vivo M4 Positive Allosteric Modulator(PAM) Grant Number: MH077607-1 To date, five muscarinic acetylcholine receptor (mAChR) subtypes have been identified (M1-M5) and play important roles in mediating the actions of ACh in the peripheral and central nervous systems. Of these, M1 and M4 are the most heavily expressed in the CNS and represent attractive th... aid1938.table aid1938.tbin
1939 2 Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of a Highly Selective in vitro and in vivo M4 Positive Allosteric Modulator(PAM) Grant Number: MH077607-1 To date, five muscarinic acetylcholine receptor (mAChR) subtypes have been identified (M1-M5) and play important roles in mediating the actions of ACh in the peripheral and central nervous systems. Of these, M1 and M4 are the most heavily expressed in the CNS and represent attractive th... aid1939.table aid1939.tbin
1940 1 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, Lake Nona, FL) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Proposal Number: Assay Provider: Dr. Layton Smith, Sanford-Burnham Medical Research Institute This assay was established to measure the extent of potential hepatic metabolism of compounds. Liver microsomes consist mainly of endoplasmatic reticulum, contain many drug-metabol... aid1940.table aid1940.tbin
1941 5 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: MH077602-01 Assay Provider: Dr. Jose Luis Millan, Sanford-Burnham Medical Research Institute, San Diego, CA This TNAP dose response assay is developed and performed for the purpose of SAR study on analogs of hits originally identified in the TNAP luminesce... aid1941.table aid1941.tbin
1942 2405 Data Source: Johns Hopkins Ion Channel Center BioAssay Type: Confirmatory, Counter Screening, Single Concentration Activity Observed Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening Center PI: Min Li, Ph.D. Assay Provider: Dr. Sabina Kupershmidt, Vanderbilt University Medical Center Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1R03MH084820-01 Grant Propo... aid1942.table aid1942.tbin
1943 1598 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: David Frick, New York Medical College Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R03 MH085690-01 Grant Proposal PI: David Frick, New York Medical College External Assay ID: NS3HCVDNA_INH_FLINT_1536_3X%INH Name: Fluorescence-based confirmation biochemical high throughput screenin... aid1943.table aid1943.tbin
1944 101 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Valerie Tokars and Andrew Mesecar, University of Illinois at Chicago (UIC) Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1-R03-MH084162-01A1 Grant Proposal PI: Valerie Tokars and Andrew Mesecar, UIC External Assay ID: PLPRO_INH_LUMI_1536_3XIC50 Name: Luminescence-based counterscreen ... aid1944.table aid1944.tbin
1945 1598 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: David Frick, New York Medical College Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R03 MH085690-01 Grant Proposal PI: David Frick, New York Medical College External Assay ID: DNAETBR_INH_FLINT_1536_3X%FID Name: Fluorescence-based counterscreen assay for HCV NS3 helicase inhibitors... aid1945.table aid1945.tbin
1946 2405 Data Source: Johns Hopkins Ion Channel Center BioAssay Type: Confirmatory, Counter Screening, Single Concentration Activity Observed Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening Center PI: Min Li, Ph.D. Assay Provider: Dr. Sabina Kupershmidt, Vanderbilt University Medical Center Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1R03MH084820-01 Grant Propo... aid1946.table aid1946.tbin
1947 302755 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Benjamin Cravatt, TSRI Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R01 CA087660-05 Fast Track Grant Proposal PI: Benjamin Cravatt, TSRI External Assay ID: FAM108B_INH_FP_1536_1X%INH Name: Fluorescence polarization-based counterscreen for RBBP9 inhibitors: primary biochemical high... aid1947.table aid1947.tbin
1948 113755 qHTS Assay for Compounds that Induce Erasure of Genomic Imprints NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] Assay Submitter (PI): JEFFRIES, SEAN, NCGC, University of Cambridge NCGC Peg3 Imprinting Assay Overview Genomic imprinting is the epigenetic process whereby genes are expressed in a parent of origin fashion. Imprinted genes exhibit monoallelic expression exclusively from either the paternal or maternal allele. Unlike some forms of epige... aid1948.table aid1948.tbin
1949 100697 Mycobacterium tuberculosis (Mtb) is a notorious pathogen whose increasing resistance to antibiotics and heightened lethality in combination with AIDS makes it a major health concern worldwide. The World Health Organization (WHO) estimates that one-third of the world's population is infected with Mtb; eight million people worldwide develop tuberculosis annually while nearly two million die. Mtb causes more deaths than any other infectious agent in the world. Immunocompromised individuals, particul... aid1949.table aid1949.tbin
1950 302755 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Paul Lieberman, Wistar Institute Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: I R21 NS063906-01 Grant Proposal PI: Paul Lieberman, Wistar Institute External Assay ID: EBNA1_INH_FP_1536_1X%INH Name: Fluorescence polarization-based primary biochemical high throughput screening assay t... aid1950.table aid1950.tbin
1951 6 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Xiaolin Li, Orphagen Pharmaceuticals, San Diego, CA Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1 X01-MH077624-01 Grant Proposal PI: Xiaolin Li External Assay ID: SF-1_ACT_LEADS_SUMMARY Name: Summary of probe development efforts to identify activators of the nuclear receptor Steroidogenic Factor 1 (SF... aid1951.table aid1951.tbin
1952 2381 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assay Provider: Olivier Civelli, University of California, Irvine Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number 1-R03-DA026557-01 Grant Proposal PI: Olivier Civelli External Assay ID: GPR7_ANT_FLUO8_1536_3X%INH Name: Fluorescence-based confirmation cell-based high throughput screening assay to identify antagon... aid1952.table aid1952.tbin
1953 11 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Peter Tobias, TSRI Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number: MH081265-01 Grant Proposal PI: Peter Tobias, TSRI External Assay ID: TLR4_INH_PROBES_SUMMARY Name: Summary of probe development efforts to identify inhibitors of Toll-Like Receptor 4 (TLR4). Description: In atheroscleros... aid1953.table aid1953.tbin
1954 1 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Xiaolin Li, Orphagen Pharmaceuticals, San Diego, CA Network: Molecular Library Probe Production Center Network (MLPCN) Grant Proposal Number: 1 X01-MH077624-01 Grant Proposal PI: Xiaolin Li External Assay ID: RORA_ACT_LEADS_SUMMARY Name: Summary of probe development efforts to identify activators of the Retinoic Acid Receptor-rela... aid1954.table aid1954.tbin
1956 215047 Southern Research Institute (Birmingham, Alabama), NIH Molecular Libraries Screening Centers Network (MLSCN) Assay Provider: Brent Passer, Massachusetts General Hospital, Boston, MA Grant number: R03MH083258-01 Assay Rationale and Summary: Oncolytic HSV-based vectors selectively replicate in tumor cells causing direct killing (i.e.,oncolysis), while at the same time sparing normal cells. Although the use of replication competent HSV viruses for tumor therapy has proven to be effective to a cer... aid1956.table aid1956.tbin
1957 76 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1 R03 MH084230-01A1 Assay Provider: Dr. Lutz Tautz, Sanford-Burnham Medical Research Institute, San Diego CA Protein tyrosine phosphatases (PTPs) play vital roles in numerous cellular processes and are implicated in a growing number of human diseases, ranging ... aid1957.table aid1957.tbin
1958 51 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1 R03 MH084230-01A1 Assay Provider: Dr. Lutz Tautz, Sanford-Burnham Medical Research Institute, San Diego CA Protein tyrosine phosphatases (PTPs) play vital roles in numerous cellular processes and are implicated in a growing number of human diseases, ranging ... aid1958.table aid1958.tbin
1959 1691 Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interaction, gene regulation, MEX-5, POS-1, embryonic development Primary Collaborators: Sean Ryder, U. Mass Medical School, sean.ryder@umassmed.edu Project Overview: In most organisms, the body axes and founding tissue types are formed prior to the onset of zygotic transcription. Thus, post-transcriptional regulation of maternal transcripts by maternally s... aid1959.table aid1959.tbin
1960 1691 Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interaction, gene regulation, MEX-5, POS-1, embryonic development Primary Collaborators: Sean Ryder, U. Mass Medical School, sean.ryder@umassmed.edu Project Overview: In most organisms, the body axes and founding tissue types are formed prior to the onset of zygotic transcription. Thus, post-transcriptional regulation of maternal transcripts by maternally s... aid1960.table aid1960.tbin
1961 292143 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1X01 DA026205-01 Assay Provider: Dr. Mary Abood, California Pacific Medical Center Research Institute (currently Temple University) The cannabinoid and endocannabinoid system has been implicated in the pathophysiology of drug dependence and addiction... aid1961.table aid1961.tbin
1962 302755 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Heather Harding, New York University School of Medicine Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1-R03-DA026554-01 Grant Proposal PI: Heather Harding, New York University School of Medicine External Assay ID: TPT1_INH_FP_1536_1X%INH Name: Fluorescence polarization-based primary ... aid1962.table aid1962.tbin
1964 1691 Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interaction, gene regulation, MEX-5, POS-1, embryonic development Primary Collaborators: Sean Ryder, U. Mass Medical School, sean.ryder@umassmed.edu Project Overview: In most organisms, the body axes and founding tissue types are formed prior to the onset of zygotic transcription. Thus, post-transcriptional regulation of maternal transcripts by maternally s... aid1964.table aid1964.tbin
1965 3 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1X01 DA026205-01 Assay Provider: Dr. Mary Abood, California Pacific Medical Center Research Institute (currently Temple University) The orphan G protein coupled receptor, GPR55, has gained notoriety because of its putative identification as a cannabi... aid1965.table aid1965.tbin
1966 211 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number: 1X01DA026208-01 Assay Provider: Dr. Lawrance Barak , Duke University, Durham NC b-galactosidase (b-gal), a hydrolase enzyme that catalyzes the hydrolysis of b-galactosides to monosaccharides is utilized in many different screening technologies involving enzyme reac... aid1966.table aid1966.tbin
1967 1280 Charcot-Marie-Tooth-Association [CMTA] NIH Chemical Genomics Center [NCGC] Charcot-Marie-Tooth (CMT) disease was first characterized by Jean-Martin Charcot and Pierre Marie in France and, independently, by Howard Henry Tooth in England in 1886. CMT is one of the most common inherited neurological diseases, affecting about 125,000 Americans. CMT patients typically exhibit muscle atrophy in the extremities and sensory loss. The most common cause of CMT is known as CMT1A, and is caused by a duplicat... aid1967.table aid1967.tbin
1968 3 Primary Collaborators: Ana Rodriguez, New York University, Ana.Rodriguez@nyumc.org Esther Bettiol,Merck/Serano,estherbettiol@hotmail.com Probes: ML157, ML158, ML164 Biological Relevance: The main goal is to identify new drugs for the treatment of Chagas disease. New drugs are needed because the only two drugs currently available are only effective against the early stages of disease and have significant toxicity to the patient. No drug is available to treat the chronic stage. This assay appro... aid1968.table aid1968.tbin
1969 63 NIH Molecular Libraries Probe Production Centers Network [MLPCN] NIH Chemical Genomics Center [NCGC] MLPCN Grant: 1R03MH084827-01 Assay Submitter (PI): Tom Misteli NCGC Assay Overview: Clk4 (Invitrogen, cat# PV3839) was assayed using ATP and the RS repeat peptide (AnaSpec cat # 61722) as substrates. In the assay, the ADP levels were detected using Promega ADP-Glo technology wherein the remaining ATP from the kinase reaction is first depleted with an ATPase reagent followed by a reagent that cont... aid1969.table aid1969.tbin
1970 169 NIH Molecular Libraries Probe Production Centers Network [MLPCN] NIH Chemical Genomics Center [NCGC] MLPCN Grant: 1R03MH084827-01 Assay Submitter (PI): Tom Misteli NCGC Assay Overview: Clk4 (Invitrogen, cat# PV3839) was assayed using ATP and the RS repeat peptide (AnaSpec cat # 61722) as substrates. Following the Clk4 reaction, the remaining ATP levels were detected using Promega Kinase-Glo technology wherein the remaining ATP from the kinase reaction is detected using Ultra-Glo luciferase and D... aid1970.table aid1970.tbin
1972 122 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Vincent Yang, Emory University Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number 1-R03-DA026215-01 Grant Proposal PI: Vincent Yang External Assay ID: IEC6CYTOX_INH_LUMI_1536_3XIC50 Name: Luminescence-based dose response cell-based high throughput screening assay for cytotoxic compounds using the IEC-6 intes... aid1972.table aid1972.tbin
1973 122 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Vincent Yang, Emory University Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number 1-R03-DA026215-01 Grant Proposal PI: Vincent Yang External Assay ID: KLF5_INH_LUMI_1536_3X1C50 Name: Luminescence-based dose response cell-based high throughput screening assay for inhibitors of kruppel-like factor 5 (KLF5). D... aid1973.table aid1973.tbin
1974 302755 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Benjamin Cravatt, TSRI Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R01 CA087660-05 Fast Track Grant Proposal PI: Benjamin Cravatt, TSRI External Assay ID: GSTO1-1_INH_FP_1536_1X%INH Name: Fluorescence polarization-based counterscreen for RBBP9 inhibitors: primary biochemical high... aid1974.table aid1974.tbin
1975 122 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Vincent Yang, Emory University Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number 1-R03-DA026215-01 Grant Proposal PI: Vincent Yang External Assay ID: IEC6CYTOX_INH_LUMI_1536_3XIC50 CSDRUN Name: Luminescence-based counterscreen assay for KLF5 inhibitors: dose response cell-based high throughput screening ass... aid1975.table aid1975.tbin
1976 14 Overview: In this study, we have performed the CellTiter-Glo# Luminescent Cell Viability Assay (Promega) on the CEPH population of human lymphoblast cell lines (Coriell Institute for Medical Research) to determine in vitro cytotoxicity of a set of 14 model toxicants. Data is reported as percent of control value [(treated-background)/(untreated control-background)*100]. Activity Outcomes: Experimental variability thresholds for each chemical were determined to classify individual responses. The ... aid1976.table aid1976.tbin
1977 14 Overview: In this study, we have performed the Caspase-Glo# 3/7 Assay (Promega) on the CEPH population of human lymphoblast cell lines (Coriell Institute for Medical Research) to determine in vitro cytotoxicity of a set of 14 model toxicants. Data is reported as percent of control value [(treated-background)/(untreated control-background)*100]. Activity Outcomes: Experimental variability thresholds for each chemical were determined to classify individual responses. The threshold value is a mult... aid1977.table aid1977.tbin
1978 927 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Benjamin Cravatt, TSRI Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R01 CA087660-05 Fast Track Grant Proposal PI: Benjamin Cravatt, TSRI External Assay ID: FAM108B_INH_FP_1536_3X%INH Name: Fluorescence polarization-based confirmation biochemical high throughput screening assay for... aid1978.table aid1978.tbin
1979 302509 Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, fluconazole, Hsp90, Calcineurin, stress response Primary Collaborators: Susan Lindquist, Whitehead Institute for Biomedical Research, sll@wi.mit.edu Assay Overview: The basic assay strategy will consist of fluconazole-resistant C. albicans clinical isolate cultured in 1536-well format in the presence of a sub-toxic concentration of fluconazole. Test compounds that inhibit subseq... aid1979.table aid1979.tbin
1981 2237 A small molecule screen for inhibitors of the PhoP regulon in Salmonella Typhimurium. Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Probe Centers Network (MLPCN) Assay Provider: Dr. Jason Harris, Massachusetts General Hospital Grant number: 1R21-NS059429-01 Assay Rationale and Summary: Salmonella is a genus of rod-shaped Gram-negative enterobacteria that causes typhoid fever, paratyphoid fever, ... aid1981.table aid1981.tbin
1982 1 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1 X01 MH077633-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute, San Diego CA Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity a... aid1982.table aid1982.tbin
1983 63 NIH Molecular Libraries Probe Production Centers Network [MLPCN] NIH Chemical Genomics Center [NCGC] MLPCN Grant: 1R03MH084827-01 Assay Submitter (PI): Tom Misteli NCGC Assay Overview: Clk4 (Invitrogen cat # PV3839) was assayed using ATP and the RS repeat peptide (AnaSpec cat # 61722) as substrates using Transcreener (trade mark), a competitive fluorescence polarization (FP) assay [1]. For the present assay, we used the Orange TranscreenerTM ADP2 (BellBrooks Labs, Madison, Wis) detection system... aid1983.table aid1983.tbin
1984 292483 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number: 1 R03 MH084852-01 Assay Provider: Zhiyong Wang PhD, The Salk Institute for biological studies, San Diego CA Genetic studies have demonstrated that loss of the transcriptional co-activator p/CIP leads to resistance to obesity and diabetes, especially in extreme mous... aid1984.table aid1984.tbin
1985 2302 Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Probe Centers Network (MLPCN) Assay Provider: Dr. Jason Harris, Massachusetts General Hospital Assay Rationale and Summary: Salmonella is a genus of rod-shaped Gram-negative enterobacteria that causes typhoid fever, paratyphoid fever, and foodborne illness. Salmonella enterica, serovar Typhimurium, is a leading cause of human gastroenteritis (acute i... aid1985.table aid1985.tbin
1986 292483 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number: 1R21NS059403-01 Assay Provider: Dr. Miriam Gochin, Touro University-California, Vallejo, CA The fusion-active conformation of the envelope protein gp41 of HIV-1 consists of an N-terminal trimeric alpha-helical coiled coil domain, and three anti-parallel C-terminal ... aid1986.table aid1986.tbin
1987 315101 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Richard Honkanen, University of South Alabama Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R03 MH085702-01A1 Grant Proposal PI: Richard Honkanen, University of South Alabama External Assay ID: PP5_INH_FLINT_1536_1X%INH Name: Fluorescence-based primary biochemical high throughput s... aid1987.table aid1987.tbin
1988 2193 Broad Institute MLPCN Alpha-Synuclein 5'UTR Project Project ID: 2023 Keywords: alpha-synuclein, Parkinson's disease, translation, RNA stem-loop, 5'-untranslated region Primary Collaborators: Jack T. Rogers, Massachusetts General Hospital, jtrogers@rics.bwh.harvard.edu, 617-726-8838, Charlestown, MA Project Overview: The goal of this project is to identify novel small molecule probes that inhibit alpha-synuclein translational expression in dopaminergic neurons by targeting the 5'-untranslate... aid1988.table aid1988.tbin
1989 2 University of New Mexico Assay Overview: Assay Support: MH077627-01 Project Title: MLSCN Assay for Ligands of GPR30 and Classical Estrogen Receptors Assay Provider: Eric Prossnitz Screening Center PI: Larry Sklar Assay Implementation: Megan Dennis, Mark Haynes, Anna Waller, Mark Carter Assay Background and Significance: Estrogen exerts numerous diverse physiological effects, and is involved in the growth, development and homeostasis of numerous tissues. The best understood of these are ma... aid1989.table aid1989.tbin
1990 2193 Broad Institute MLPCN Alpha-Synuclein 5'UTR Project Project ID: 2023 Keywords: alpha-synuclein, Parkinson's disease, translation, RNA stem-loop, 5'-untranslated region Primary Collaborators: Jack T. Rogers, Massachusetts General Hospital, jtrogers@rics.bwh.harvard.edu, 617-726-8838, Charlestown, MA Project Overview: The goal of this project is to identify novel small molecule probes that inhibit alpha-synuclein translational expression in dopaminergic neurons by targeting the 5'-untranslated ... aid1990.table aid1990.tbin
1992 49840 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1 R03 MH084230-01A1 Assay Provider: Dr. Lutz Tautz, Sanford-Burnham Medical Research Institute, San Diego CA Protein tyrosine phosphatases (PTPs) play vital roles in numerous cellular processes and are implicated in a growing number of human diseases, ranging... aid1992.table aid1992.tbin
1993 18 University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interactions PI: Richard Neubig, Ph.D. Assay Implementation: Yang Wu Ph.D., Mark Haynes Ph.D., Anna Waller Ph.D., Mark Carter MS, Juan Strouse Ph.D., Virginia Salas Ph.D. Target Team Leader for the Center: Larry Sklar, Ph.D., (lsklar@salud.unm.edu) Assay Background and Significance: Regulators of G protein signaling (RGS) proteins are a diverse set of intrac... aid1993.table aid1993.tbin
1994 2193 Broad Institute MLPCN Alpha-Synuclein 5'UTR Project Project ID: 2023 Keywords: alpha-synuclein, Parkinson's disease, translation, RNA stem-loop, 5'-untranslated region Primary Collaborators: Jack T. Rogers, Massachusetts General Hospital, jtrogers@rics.bwh.harvard.edu, 617-726-8838, Charlestown, MA Project Overview: The goal of this project is to identify novel small molecule probes that inhibit alpha-synuclein translational expression in dopaminergic neurons by targeting the 5'-untranslated ... aid1994.table aid1994.tbin
1996 57859 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, Lake Nona, FL) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: Assay Provider: SBCCG and ANALIZA, Inc. Cleveland, OH. Solubility is one of the most fundamental physicochemical properties of drug candidates or chemical probes and its measurement is an essential component in the in vitro profiling of drug-lik... aid1996.table aid1996.tbin
1997 29 NIH Molecular Libraries Probe Production Centers Network [MLPCN] NIH Chemical Genomics Center [NCGC] MLPCN Grant: 1R03MH084827-01 Assay Submitter (PI): Tom Misteli Alternative splicing of pre-mRNAs plays a major role in the regulation of eukaryotic gene expression. Alternative splicing is now thought to be one of the primary reasons for the complexity of higher organisms leading to an average of three protein isoforms per gene. Aberrant splicing can lead to a number of diseases and is known to p... aid1997.table aid1997.tbin
1999 2336 Broad Institute MLPCN Alpha-Synuclein 5'UTR Project Project ID: 2023 Keywords: alpha-synuclein, Parkinson's disease, translation, RNA stem-loop, 5'-untranslated region Primary Collaborators: Jack T. Rogers, Massachusetts General Hospital, jtrogers@rics.bwh.harvard.edu, 617-726-8838, Charlestown, MA Project Overview: The goal of this project is to identify novel small molecule probes that increase alpha-synuclein translational expression in dopaminergic neurons by targeting the 5'-untranslat... aid1999.table aid1999.tbin
2001 545 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1 R03 MH084844-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute, San Diego, CA The modulation of immune response activity is one of the major goals in the development of novel therapeutics for auto-immune and inflammatory diseas... aid2001.table aid2001.tbin
2002 2336 Broad Institute MLPCN Alpha-Synuclein 5'UTR Project Project ID: 2023 Keywords: alpha-synuclein, Parkinson's disease, translation, RNA stem-loop, 5'-untranslated region Primary Collaborators: Jack T. Rogers, Massachusetts General Hospital, jtrogers@rics.bwh.harvard.edu, 617-726-8838, Charlestown, MA Project Overview: The goal of this project is to identify novel small molecule probes that increase alpha-synuclein translational expression in dopaminergic neurons by targeting the 5'-untranslat... aid2002.table aid2002.tbin
2003 2336 Broad Institute MLPCN Alpha-Synuclein 5'UTR Project Project ID: 2023 Keywords: alpha-synuclein, Parkinson's disease, translation, RNA stem-loop, 5'-untranslated region Primary Collaborators: Jack T. Rogers, Mass General Hospital, jtrogers@rics.bwh.harvard.edu, 617-726-8838, Charlestown, MA Project Overview: The goal of this project is to identify novel small molecule probes that increase alpha-synuclein translational expression in dopaminergic neurons by targeting the 5'-untranslated region ... aid2003.table aid2003.tbin
2004 56 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1 R03 MH084230-01A1 Assay Provider: Dr. Lutz Tautz, Sanford-Burnham Medical Research Institute, San Diego CA Description. Protein tyrosine phosphatases (PTPs) play vital roles in numerous cellular processes and are implicated in a growing number of human dise... aid2004.table aid2004.tbin
2005 429 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1 R03 MH084852-01 Assay Provider: Zhiyong Wang PhD, The Salk Institute for biological studies, La Jolla CA Genetic studies have demonstrated that loss of the transcriptional co-activator p/CIP leads to resistance to obesity and diabetes, especially in extreme... aid2005.table aid2005.tbin
2006 291075 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1 R03 MH084862-01 Assay Provider: Dr. Yuan Chen, Beckman Research Institute, City Of Hope, CA Protein modification by the SUMO (Small Ubiquitin-like MOdifier) family of proteins is an important post-translational modification that plays an essential role in ma... aid2006.table aid2006.tbin
2007 3 Primary Collaborators: Susan Lindquist, Whitehead Institute, sll@wi.mit.edu Luke Whitesell, Whitehead Institute, whitesell@wi.mit.edu Biological Relevance: Acquired drug resistance by medically relevant microorganisms poses a grave threat to human health and has enormous economic consequences. Fungal pathogens pose a particular challenge because they are eukaryotes and share many of the same mechanisms that support the growth and survival of the cells comprising their human hosts. The number of ... aid2007.table aid2007.tbin
2008 146 No grant number Infection with Leishmania represents a major health concern in the developing world, with approximately 1.2 to 1.5 million cases reported annually and 350 million people (globally) at risk of infection. The limited number of available leishmaniasis treatments is complicated by (1) serious (toxic) side effects; and (2) an increase in chemoresistance. Therefore, the identification of new small molecules for the treatment of leishmaniasis is a critical. A simple, inexpensive and... aid2008.table aid2008.tbin
2009 51 University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) Chemistry: University of Kansas Specialized Chemistry Center Target Team ... aid2009.table aid2009.tbin
2010 4065 Keywords: NIH3T3, cytotoxic Assay Overview: This counter screen detects compounds that are cytotoxic to NIH3T3 cells after ~90hrs in culture. After plating the NIH3T3 cells, compounds are added to the wells. After 90 hours culturing, all cells in the well are lysed and ATP is detected using Cell Titer Glo Expected Outcome: Compounds significantly suppressing luminescence, and therefore cytotoxic to NIH3T3s will be resolved as hits. This is a counter screen to AID 1885 to determine compound... aid2010.table aid2010.tbin
2012 291075 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number: 1R03MH084835-01 Assay Provider: Jerry Pelletier, Ph.D, McGill University, Montreal, Canada Translation is an essential cellular process whose deregulation is associated with alterations in cell growth, cell cycle progression, and cell death responses. The initiatio... aid2012.table aid2012.tbin
2013 291817 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1X01 DA026205-01 Assay Provider: Dr. Mary Abood, California Pacific Medical Center Research Institute The cannabinoid and endocannabinoid system has been implicated in the pathophysiology of drug dependence and addiction disorders. GPR55, an orphan ... aid2013.table aid2013.tbin
2014 291075 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number: 1R03MH084835-01 Assay Provider: Jerry Pelletier, Ph.D, McGill University, Montreal, Canada Translation is an essential cellular process whose deregulation is associated with alterations in cell growth, cell cycle progression, and cell death responses. The initiatio... aid2014.table aid2014.tbin
2015 147 NIH Molecular Libraries Probe Production Centers Network [MLPCN] NIH Chemical Genomics Center [NCGC] MLPCN Grant: R03 MH085689-01 Assay Submitter (PI): Kent Lai (University of Utah School of Medicine, 50 N Mario Capecchi Drive, Salt Lake City, UT 84132) NCGC Assay Overview Inherited deficiency of galactose-1-phosphate uridyltransferase (GALT) can result in a potentially lethal disorder called Classic Galactosemia (OMIM 230400). Several lines of evidence indicate that an elevated level of galacto... aid2015.table aid2015.tbin
2016 326763 University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. cerevisiae PI: Maggie Werner-Washburne Center PI: Larry Sklar Assay Implementation: Jun Chen, Chris Allen, Susan Young, Anna Waller, Mark Carter Assay Background and Significance: The target of rapamycin, TOR, is a ser/thr protein kinase evolutionarily conserved from yeast to man [Wullschleger, et al. 2006]. TOR functions in two distinct protein... aid2016.table aid2016.tbin
2017 147 NIH Molecular Libraries Probe Production Centers Network [MLPCN] NIH Chemical Genomics Center [NCGC] MLPCN Grant: R03 MH085689-01 Assay Submitter (PI): Kent Lai (University of Utah School of Medicine, 50 N Mario Capecchi Drive, Salt Lake City, UT 84132) NCGC Assay Overview The GHMP kinase family is a unique class of important enzymes that plays an essential role in many metabolic processes. It contains more than 170 protein members among which are the galactokinase (GALK) and the CMK enzymes. GA... aid2017.table aid2017.tbin
2018 1233 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1 R03 MH084862-01 Assay Provider: Dr. Yuan Chen, Beckman Research Institute, City Of Hope, CA Protein modification by the SUMO (Small Ubiquitin-like MOdifier) family of proteins is an important post-translational modification that plays an essential role in ma... aid2018.table aid2018.tbin
2019 92 University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) UNM Cheminformatics: Cristian Bologa, Ph.D., Fabiola Miscioscia, Ph.D., Ram... aid2019.table aid2019.tbin
2020 92 University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) UNM Cheminformatics: Cristian Bologa, Ph.D., Fabiola Miscioscia, Ph.D., Ram... aid2020.table aid2020.tbin
2021 42 University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) UNM Cheminformatics: Cristian Bologa, Ph.D., Fabiola Miscioscia, Ph.D., Ram... aid2021.table aid2021.tbin
2022 42 University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) UNM Cheminformatics: Cristian Bologa, Ph.D., Fabiola Miscioscia, Ph.D., Ram... aid2022.table aid2022.tbin
2023 324844 University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. cerevisiae PI: Maggie Werner-Washburne Center PI: Larry Sklar Assay Implementation: Jun Chen, Chris Allen, Susan Young, Anna Waller, Mark Carter Assay Background and Significance: The target of rapamycin, TOR, is a ser/thr protein kinase evolutionarily conserved from yeast to man [Wullschleger, et al. 2006]. TOR functions in two distinct protein... aid2023.table aid2023.tbin
2024 55 Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Probe Production Centers Network (MLPCN) Assay Provider: Dr. Marintha Heil, Southern Research Institute Award: 1R03 MH084847-01 West Nile virus (WNV) is a mosquito borne infectious agent that causes febrile illness and occasionally encephalitis. Outbreaks had been reported in Africa, Asia, and Europe since 1937. In 1999, the first case of WNV was dete... aid2024.table aid2024.tbin
2025 325484 University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. cerevisiae PI: Maggie Werner-Washburne Center PI: Larry Sklar Assay Implementation: Jun Chen, Chris Allen, Susan Young, Anna Waller, Mark Carter Assay Background and Significance: The target of rapamycin, TOR, is a ser/thr protein kinase evolutionarily conserved from yeast to man [Wullschleger, et al. 2006]. TOR functions in two distinct protein... aid2025.table aid2025.tbin
2026 3 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1X01 DA026205-01 Assay Provider: Dr. Mary Abood, California Pacific Medical Center Research Institute The orphan G protein coupled receptor, GPR55, has gained notoriety because of its putative identification as a cannabinoid receptor subtype. The sig... aid2026.table aid2026.tbin
2027 51 University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) UNM Cheminformatics: Cristian Bologa, Ph.D., Fabiola Miscioscia, Ph.D., Ram... aid2027.table aid2027.tbin
2029 321643 University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. cerevisiae PI: Maggie Werner-Washburne Center PI: Larry Sklar Assay Implementation: Jun Chen, Chris Allen, Susan Young, Anna Waller, Mark Carter Assay Background and Significance: The target of rapamycin, TOR, is a ser/thr protein kinase evolutionarily conserved from yeast to man [Wullschleger, et al. 2006]. TOR functions in two distinct protein... aid2029.table aid2029.tbin
2031 51 University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) UNM Cheminformatics: Cristian Bologa, Ph.D., Fabiola Miscioscia, Ph.D., Ram... aid2031.table aid2031.tbin
2032 2267 Data Source: Johns Hopkins Ion Channel Center (JHICC_Kir2.1_Confirm_1) BioAssay Type: Other, Duplicate, Single Concentration Activity Observed. Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening Center PI: Min Li, Ph.D. Assay Provider: Elena Makhina Ph.D., University of Pittsburgh Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R03 DA026212-01 Grant Proposa... aid2032.table aid2032.tbin
2033 51 University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) UNM Cheminformatics: Cristian Bologa, Ph.D., Fabiola Miscioscia, Ph.D., Ram... aid2033.table aid2033.tbin
2035 147 NIH Molecular Libraries Probe Production Centers Network [MLPCN] NIH Chemical Genomics Center [NCGC] MLPCN Grant: R03 MH085689-01 Assay Submitter (PI): Kent Lai (University of Utah School of Medicine, 50 N Mario Capecchi Drive, Salt Lake City, UT 84132) NCGC Assay Overview: One mM dithiothreitol (DTT) was used as a reducing agent to maintain the galactokinase (GALK) enzyme in its active form in the GALK qHTS screen (AID: 1868). However, it has been shown that in the presence of DTT a number of c... aid2035.table aid2035.tbin
2036 42 University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) UNM Cheminformatics: Cristian Bologa, Ph.D., Fabiola Miscioscia, Ph.D., Ram... aid2036.table aid2036.tbin
2037 51 University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) UNM Cheminformatics: Cristian Bologa, Ph.D., Fabiola Miscioscia, Ph.D., Ram... aid2037.table aid2037.tbin
2038 42 University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) UNM Cheminformatics: Cristian Bologa, Ph.D., Fabiola Miscioscia, Ph.D., Ram... aid2038.table aid2038.tbin
2039 34 University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) UNM Cheminformatics: Cristian Bologa, Ph.D., Fabiola Miscioscia, Ph.D., Ram... aid2039.table aid2039.tbin
2040 42 University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) UNM Cheminformatics: Cristian Bologa, Ph.D., Fabiola Miscioscia, Ph.D., Ram... aid2040.table aid2040.tbin
2041 92 University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) UNM Cheminformatics: Cristian Bologa, Ph.D., Fabiola Miscioscia, Ph.D., Ram... aid2041.table aid2041.tbin
2042 51 University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) UNM Cheminformatics: Cristian Bologa, Ph.D., Fabiola Miscioscia, Ph.D., Ram... aid2042.table aid2042.tbin
2043 42 University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) UNM Cheminformatics: Cristian Bologa, Ph.D., Fabiola Miscioscia, Ph.D., Ram... aid2043.table aid2043.tbin
2044 4065 Keywords: Trypanosoma cruzi, Chagas disease Assay Overview: The assay detects intracellular trypanosomes that are replicating inside host cells. NIH3T3 cells are trypsinized, counted, and plated in 384-well tissue culture plates. After plating the NIH3T3 cells, compounds are added to the wells. T. cruzi that are genetically modified to express b-galactosidase are then harvested and active Trypomastigotes form are counted and co-cultured with the NIH3T3 cells. After 90 hours of co-culture, al... aid2044.table aid2044.tbin
2045 92 University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) UNM Cheminformatics: Cristian Bologa, Ph.D., Fabiola Miscioscia, Ph.D., Ram... aid2045.table aid2045.tbin
2046 42 University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) UNM Cheminformatics: Cristian Bologa, Ph.D., Fabiola Miscioscia, Ph.D., Ram... aid2046.table aid2046.tbin
2047 92 University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) UNM Cheminformatics: Cristian Bologa, Ph.D., Fabiola Miscioscia, Ph.D., Ram... aid2047.table aid2047.tbin
2048 92 University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) UNM Cheminformatics: Cristian Bologa, Ph.D., Fabiola Miscioscia, Ph.D., Ram... aid2048.table aid2048.tbin
2049 15 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: David Frank, Dana Farber Cancer Institute Network: Molecular Library Probe Production Center Network (MLPCN) Grant Proposal Number: 1 X01 MH079826-01 Grant Proposal PI: David Frank, Dana Farber Cancer Institute External Assay ID: STAT3_ACT_PROBES_LATE STAGE Name: Late stage results from the probe development effort to identify activators ... aid2049.table aid2049.tbin
2050 92 University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) UNM Cheminformatics: Cristian Bologa, Ph.D., Fabiola Miscioscia, Ph.D., Ram... aid2050.table aid2050.tbin
2051 51 University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) UNM Cheminformatics: Cristian Bologa, Ph.D., Fabiola Miscioscia, Ph.D., Ram... aid2051.table aid2051.tbin
2052 326382 University of New Mexico Assay Overview Assay Support: 1 X01 MH085707-01 Project Title: HTS for developing T Cell Immune Modulators PI: Inkyu Hwang,PhD The Scripps Research Institute (La Jolla) Assay Implementation: Mark K. Haynes PhD, Chelin Hu MS, Anna Waller PhD, Mark Carter MS University of New Mexico Center for Molecular Discovery PI: Larry Sklar PhD Assay Background and Significance: When naive T cells encounter antigen presenting cells (APC) displaying cognate MHC-peptide compl... aid2052.table aid2052.tbin
2053 51 University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) UNM Cheminformatics: Cristian Bologa, Ph.D., Fabiola Miscioscia, Ph.D., Ram... aid2053.table aid2053.tbin
2055 92 University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) UNM Cheminformatics: Cristian Bologa, Ph.D., Fabiola Miscioscia, Ph.D., Ram... aid2055.table aid2055.tbin
2057 315100 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Michael Cardone, Eutropics Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number 1 R43 CA135915-01 Fast Track Grant Proposal PI: Michael Cardone, Eutropics External Assay ID: MCL-1BIM_INH_FP_1536_1X%INH Name: Fluorescence polarization-based primary biochemical high throughput screening assay to identify inhibit... aid2057.table aid2057.tbin
2058 292143 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1X01MH085708-01 Assay Provider: Dr. Lawrence Barak, Duke University Addictive behavior stems from abnormal signaling activities in the brain. Thus identification of compounds blocking this modified signaling activity may lead to treatments for addicti... aid2058.table aid2058.tbin
2059 41 Ligand data for Class C GPCRs was manually collected and curated by literature search. These data are compiled as a database called GLIDA (GPCR-ligand database) and are available on-line. The ligand data of each GPCR sub-family are also deposited in PubChem Bioassay. aid2059.table aid2059.tbin
2060 33 Ligand data for Class B GPCRs was manually collected and curated by literature search. These data are compiled as a database called GLIDA (GPCR-ligand database) and are available on-line. The ligand data of each GPCR sub-family are also deposited in PubChem Bioassay. aid2060.table aid2060.tbin
2061 993 Ligand data for Class A nucleotide-like GPCRs was manually collected and curated by literature search. These data are compiled as a database called GLIDA (GPCR-ligand database) and are available on-line. The ligand data of each GPCR sub-family are also deposited in PubChem Bioassay. aid2061.table aid2061.tbin
2062 9302 Ligand data for Class A aminergic GPCRs was manually collected and curated by literature search. These data are compiled as a database called GLIDA (GPCR-ligand database) and are available on-line. The ligand data of each GPCR sub-family are also deposited in PubChem Bioassay. aid2062.table aid2062.tbin
2064 986 Ligand data for Class A prostanoid GPCRs was manually collected and curated by literature search. These data are compiled as a database called GLIDA (GPCR-ligand database) and are available on-line. The ligand data of each GPCR sub-family are also deposited in PubChem Bioassay. aid2064.table aid2064.tbin
2065 10 Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Probe Production Centers Network (MLPCN) Assay Provider: Dr. Marintha Heil, Southern Research Institute Award: 1R03 MH084847-01 West Nile virus (WNV) is a mosquito borne infectious agent that causes febrile illness and occasionally encephalitis. Outbreaks had been reported in Africa, Asia, and Europe since 1937. In 1999, the first case of WNV was dete... aid2065.table aid2065.tbin
2066 322926 University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. cerevisiae PI: Maggie Werner-Washburne Center PI: Larry Sklar Assay Implementation: Jun Chen, Chris Allen, Susan Young, Anna Waller, Mark Carter Assay Background and Significance: The target of rapamycin, TOR, is a ser/thr protein kinase evolutionarily conserved from yeast to man [Wullschleger, et al. 2006]. TOR functions in two distinct protein... aid2066.table aid2066.tbin
2067 9 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Gregg Fields, University of Texas Health Science Center Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 X01 MH078948-01 Grant Proposal PI: Gregg Fields, University of Texas Health Science Center External Assay ID: MMP13_INH_PROBES_LATE STAGE Name: Late stage results from the probe devel... aid2067.table aid2067.tbin
2068 128 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: XO1 MH077603-01 Assay Provider: Dr. Tomas Mustelin, Sanford-Burnham Medical Research Institute Protein tyrosine phosphatases (PTPs), working with protein tyrosine kinases (PTKs), control the phosphorylation state of many proteins in the signal transduction pathways. ... aid2068.table aid2068.tbin
2069 1233 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1 R03 MH084862-01 Assay Provider: Dr. Yuan Chen, Beckman Research Institute, City Of Hope, CA Protein modification by the SUMO (Small Ubiquitin-like MOdifier) family of proteins is an important post-translational modification that plays an essential role in ma... aid2069.table aid2069.tbin
2070 32 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1 R03 MH084230-01A1 Assay Provider: Dr. Lutz Tautz, Sanford-Burnham Medical Research Institute, San Diego CA Protein tyrosine phosphatases (PTPs) play vital roles in numerous cellular processes and are implicated in a growing number of human diseases, ranging ... aid2070.table aid2070.tbin
2071 280148 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number: 1 R03 MH086463-01 Assay Provider: Dr. John C. Reed, Sanford-Burham Medical Research Institute, San Diego CA NLR family proteins are an important component of the innate immune system of vertebrates. These proteins possess a nucleotide-binding oligomerization domai... aid2071.table aid2071.tbin
2073 292483 Data Source: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number: 1 R03 MH085675-01 Assay Provider: Dr Ilya Bezprozvanny, UT Southwestern Medical Center , Dallas, TX Chronic pain (neuropathic pain, inflammatory pain, cancer pain) is a major health problem. Opiate-based drugs, such as morphine and morphine derivatives, are the primary standa... aid2073.table aid2073.tbin
2074 9 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1 R03 MH084230-01A1 Assay Provider: Dr. Lutz Tautz, Sanford-Burnham Medical Research Institute, San Diego CA Protein tyrosine phosphatases (PTPs) play vital roles in numerous cellular processes and are implicated in a growing number of human diseases, ranging ... aid2074.table aid2074.tbin
2075 42 University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein interactions PI: Larry Sklar, Ph.D. Assay Implementatiion: Peter Simons Ph.D, Susan Young MS, Anna Waller Ph.D, Mark Carter MS Dose Response Assay Background and Significance: One arm of apoptosis is regulated by the balance of anti-apoptotic and pro-apoptotic Bcl-2 family members. In humans, six genes have been identified that encode anti-apoptotic... aid2075.table aid2075.tbin
2077 42 University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein interactions PI: Larry Sklar, Ph.D. Assay Implementatiion: Peter Simons Ph.D, Susan Young MS, Anna Waller Ph.D, Mark Carter MS Dose Response Assay Background and Significance: One arm of apoptosis is regulated by the balance of anti-apoptotic and pro-apoptotic Bcl-2 family members. In humans, six genes have been identified that encode anti-apoptoti... aid2077.table aid2077.tbin
2078 21 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: David Frank, Dana Farber Cancer Institute Network: Molecular Library Probe Production Center Network (MLPCN) Grant Proposal Number: 1 X01 MH079826-01 Grant Proposal PI: David Frank, Dana Farber Cancer Institute External Assay ID: STAT3_INH_PROBES_LATE STAGE Name: Late stage results from the probe development efforts to identify inhibitors... aid2078.table aid2078.tbin
2079 3 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1X01MH085708-01 Assay Provider: Dr. Lawrence Barak, Duke University Addictive behavior stems from abnormal signaling activities in the brain. Thus identification of compounds blocking this modified signaling activity may lead to treatments for addicti... aid2079.table aid2079.tbin
2080 42 University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein interactions PI: Larry Sklar, Ph.D. Assay Implementatiion: Peter Simons Ph.D, Susan Young MS, Anna Waller Ph.D, Mark Carter MS Dose Response Assay Background and Significance: One arm of apoptosis is regulated by the balance of anti-apoptotic and pro-apoptotic Bcl-2 family members. In humans, six genes have been identified that encode anti-apoptoti... aid2080.table aid2080.tbin
2081 42 University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein interactions PI: Larry Sklar, Ph.D. Assay Implementatiion: Peter Simons Ph.D, Susan Young MS, Anna Waller Ph.D, Mark Carter MS Dose Response Assay Background and Significance: One arm of apoptosis is regulated by the balance of anti-apoptotic and pro-apoptotic Bcl-2 family members. In humans, six genes have been identified that encode anti-apoptoti... aid2081.table aid2081.tbin
2082 5 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1 R03 MH084230-01A1 Assay Provider: Dr. Lutz Tautz, Sanford-Burnham Medical Research Institute, San Diego CA Protein tyrosine phosphatases (PTPs) play vital roles in numerous cellular processes and are implicated in a growing number of human diseases, ranging ... aid2082.table aid2082.tbin
2083 5 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1 R03 MH084230-01A1 Assay Provider: Dr. Lutz Tautz, Sanford-Burnham Medical Research Institute, San Diego CA Protein tyrosine phosphatases (PTPs) play vital roles in numerous cellular processes and are implicated in a growing number of human diseases, ranging ... aid2083.table aid2083.tbin
2084 42 University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein interactions PI: Larry Sklar, Ph.D. Assay Implementatiion: Peter Simons Ph.D, Susan Young MS, Anna Waller Ph.D, Mark Carter MS Dose Response Assay Background and Significance: One arm of apoptosis is regulated by the balance of anti-apoptotic and pro-apoptotic Bcl-2 family members. In humans, six genes have been identified that encode anti-apoptoti... aid2084.table aid2084.tbin
2085 2 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: XO1 MH077603-01 Assay Provider: Dr. Tomas Mustelin, Sanford-Burnham Medical Research Institute Protein tyrosine phosphatases (PTPs), working with protein tyrosine kinases (PTKs), control the phosphorylation state of many proteins in the signal transduction pat... aid2085.table aid2085.tbin
2086 42 University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein interactions PI: Larry Sklar, Ph.D. Assay Implementatiion: Peter Simons Ph.D, Susan Young MS, Anna Waller Ph.D, Mark Carter MS Dose Response Assay Background and Significance: One arm of apoptosis is regulated by the balance of anti-apoptotic and pro-apoptotic Bcl-2 family members. In humans, six genes have been identified that encode anti-apoptoti... aid2086.table aid2086.tbin
2088 39 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Nagi Ayad, TSRI Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1R21NS056991-01 Grant Proposal PI: Nagi Ayad, TSRI External Assay ID: WEE1DEG_INH_PROBES_LATE STAGE Name: Late stage results from the probe development effort to identify inhibitors of Wee1 degradation. Description: Cell cycle pr... aid2088.table aid2088.tbin
2089 1169 Keywords: Hypoxia, Hypoxia Inducible Factor (HIF), Hypoxia Responsive Element (HRE), luciferase, transcriptional activation, tissue regeneration, ischemia Assay: Luciferase assay (Steady-Glo, Promega). Confirmation at dose screen using human osteosarcoma U2OS cells stably over-expressing a plasmid containing 3 copies of the Hypoxia Responsive Element linked to luciferase gene (U2OS HRE-luciferase cells) to identify small molecules inducing an increased luciferase activity in these cells. The sm... aid2089.table aid2089.tbin
2091 367 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1 R03 MH085675-01 Assay Provider: Dr Ilya Bezprozvanny, UT Southwestern Medical Center , Dallas, TX Chronic pain (neuropathic pain, inflammatory pain, cancer pain) is a major health problem. Opiate-based drugs, such as morphine and morphine derivatives, are th... aid2091.table aid2091.tbin
2094 302266 Keywords: Quorum Sensing, Auto-inducer 2 (AI-2), Vibrio harveyi, LuxS, LuxPQ, Luminescense Assay Overview: A modified strain of Vibrio harveyi with only the AI-2 quorum sensing system intact will be exposed to small molecules. Growth of the organism post exposure will be followed using optical density and disruption of quorum sensing will be observed based on decreased luminescent signal. Expected Outcome: Identification of AI-2 quorum sensing system inhibitors with modes of action which eit... aid2094.table aid2094.tbin
2095 6 NIH Chemical Genomics Center [NCGC] Matthew G. Vander Heiden, M.D., Ph.D. [Harvard Medical School, 77 Avenue Louis Pasteur, Boston, MA 02115] MLPCN Grant: 1 R03 MH085679-01 The metabolism of cancer cells is altered to support rapid proliferation. Otto Warburg was first to notice that cancer cells produce lactate even in the presence of oxygen [1,2]. This altered metabolism, known as the Warburg effect, is thought to give tumor cells a selective growth advantage relative to normal cells [3]. At ... aid2095.table aid2095.tbin
2096 68 Keywords: mRNA maturation, polyadenylation, reporter gene assay, yeast, gene expression Assay: This is a dose response of the primary screening assay. Yeast which harbor a reporter construct will be screened for elevated levels of beta-galactosidase activity using the luminescent signal from the GalScreen assay. Briefly, cells are lysed after incubation with compounds using the GalScreen reagent and then the luminescent signal is read on a plate reader. Expected Outcome: Compounds which per... aid2096.table aid2096.tbin
2097 302503 Keywords: GSK3beta, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator for several cellular pathways and plays a critical role in metabolism, transcription, development, cell survival, and neuronal functions. The overall objective is to identify one or multiple series of inhibitors of GSK-3beta with micromolar potency. Such compounds will become probe(s) with demonstrated kinase-selectivity (&#8805;10-fold IC50) and activation of Wn... aid2097.table aid2097.tbin
2098 301406 Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly luciferase under the control of a HSF-1 response element, will be exposed to small molecules. After 30min exposure to small molecules, proteasome inhibitor MG132 is added to elicit a stress response. After 8hr incubation in the presence of this stressor, the amount of HSF-1 mediated luciferase expression is measured using a luminescence detection re... aid2098.table aid2098.tbin
2099 328736 Broad Institute MLPCN GASC-1 Project Project ID: 2043 Keywords: GASC-1 (gene amplified in squamous cell carcinoma-1), histone demethylase, DELFIA Primary Collaborators: Stefan Kubicek, Broad Institute, skubicek@broadinstitute.org, Cambridge, MA. Robert Gould, Broad Institute, rgould@broadinstitute.org, Cambridge, MA. Project Overview: The goal of this project is to identify inhibitors of the histone demethylase GASC-1 (gene amplified in squamous cell carcinoma-1). GASC-1 has roles in cance... aid2099.table aid2099.tbin
2100 304269 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Probe Production Centers Network [MLPCN] MLPCN Grant: R03 MH084841-01 Assay Submitter (PI): Wei Zheng NCGC Assay Overview: Alpha-glucosidase is responsible for the hydrolysis of terminal, non-reducing 1,4-linked alpha-D-glucose residues, which releases alpha-D-glucose. It is a lysosomal hydrolase that is required for the degradation of a small percentage (1-3%) of cellular glycogen in humans. Deficiency of this enzyme results in glyco... aid2100.table aid2100.tbin
2101 326770 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Probe Production Centers Network [MLPCN] MLPCN Grant: MH086442-01 Assay Submitter (PI): Wei Zheng Glucocerebrosidase (GC) catalyzes the hydrolysis of beta-glucocerebroside to glucose and ceramide in lysosomes. Mutations in the glucocerebrosidase gene result in Gaucher disease, an autosomal recessive lysosomal storage disorder. Many of the mutations encountered in patients with Gaucher disease are missense alterations that may cause mis... aid2101.table aid2101.tbin
2102 1063 Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Probe Production Centers Network (MLPCN) Assay Provider: Dr. Jeffery Brodsky, University of Pittsburgh Award: R03MH084077-01 Cytoxicity Assay Rationale and Summary: The oncogenic virus Simian Virus 40 (SV40) is a well-characterized model system to examine the underlying mechanisms of growth control and cancer. SV40 is also closely related to two virus... aid2102.table aid2102.tbin
2103 29 Data Source: Johns Hopkins Ion Channel Center BioAssay Type: Secondary Screening, Single Concentration Activity Observed Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening Center PI: Min Li, Ph.D. Assay Provider: Dr. Sabina Kupershmidt, Vanderbilt University Medical Center Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1R03MH084820-01 Grant Proposal PI: Dr. ... aid2103.table aid2103.tbin
2104 33 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] MLSCN Grant: 1 X01 MH080680-01 PI Name: Dr. Marvin Gershengorn, NIH NCGC Assay Overview: Confirmation of Thyroid Stimulating Hormone Receptor Agonists TSH is an alpha/beta heterodimeric glycoprotein hormone secreted from the anterior pituitary gland which belongs to the glycoprotein hormone family. The actions of TSH are mediated by a seven-transmembrane receptor, which upon TSH binding couples prefer... aid2104.table aid2104.tbin
2105 2267 Data Source: Johns Hopkins Ion Channel Center (JHICC_Kir2.1_Counter_1) BioAssay Type: Confirmatory, Counter Screen, Duplicate, Single Concentration Activity Observed Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening Center PI: Min Li, Ph.D. Assay Provider: Elena Makhina Ph.D., University of Pittsburgh Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R03 DA0... aid2105.table aid2105.tbin
2107 239498 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Probe Production Centers Network [MLPCN] MLPCN Grant: R03 MH084842-01 Assay Submitter (PI): Wei Zheng NCGC Assay Overview: Alpha-galactosidase is a homodimeric glycoprotein that hydrolyzes the terminal alpha-galactosyl moieties from glycolipids and glycoproteins. Deficiency of this enzyme results in Fabry Disease with progressive accumulation of globotriaosylceramide and other glycosphingolipids in vascular endothelial cells that caus... aid2107.table aid2107.tbin
2108 402 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Probe Production Centers Network [MLPCN] MLPCN Grant: R03 MH084842-01 Assay Submitter (PI): Wei Zheng NCGC Assay Overview: Alpha-galactosidase is a homodimeric glycoprotein that hydrolyzes the terminal alpha-galactosyl moieties from glycolipids and glycoproteins. Deficiency of this enzyme results in Fabry Disease with progressive accumulation of globotriaosylceramide and other glycosphingolipids in vascular endothelial cells that caus... aid2108.table aid2108.tbin
2109 402 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Probe Production centers Network [MLPCN] MLPCN Grant: 1R03MH084841-01 Assay Submitter (PI): Wei Zheng NCGC Assay Overview: Alpha-glucosidase is responsible for hydrolysis of terminal, non-reducing 1,4-linked alpha-D-glucose residues with release of alpha-D-glucose. It is a lysosomal hydrolase that is required for the degradation of a small percentage (1-3%) of cellular glycogen in human. Deficiency of this enzyme results in glycogen-s... aid2109.table aid2109.tbin
2110 109 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Probe Production centers Network [MLPCN] MLPCN Grant: 1R03MH084841-01 Assay Submitter (PI): Wei Zheng NCGC Assay Overview: Alpha-glucosidase is responsible for hydrolysis of terminal, non-reducing 1,4-linked alpha-D-glucose residues with release of alpha-D-glucose. It is a lysosomal hydrolase that is required for the degradation of a small percentage (1-3%) of cellular glycogen in human. Deficiency of this enzyme results in glycogen-s... aid2110.table aid2110.tbin
2111 98 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Probe Production centers Network [MLPCN] MLPCN Grant: 1R03MH084841-01 Assay Submitter (PI): Wei Zheng NCGC Assay Overview: Alpha-glucosidase is responsible for hydrolysis of terminal, non-reducing 1,4-linked alpha-D-glucose residues with release of alpha-D-glucose. It is a lysosomal hydrolase that is required for the degradation of a small percentage (1-3%) of cellular glycogen in human. Deficiency of this enzyme results in glycogen-s... aid2111.table aid2111.tbin
2112 236748 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Probe Production Centers Network [MLPCN] MLPCN Grant: R03 MH084841-01 Assay Submitter (PI): Wei Zheng NCGC Assay Overview: Alpha-glucosidase is responsible for the hydrolysis of terminal, non-reducing 1,4-linked alpha-D-glucose residues, which releases alpha-D-glucose. It is a lysosomal hydrolase that is required for the degradation of a small percentage (1-3%) of cellular glycogen in humans. Deficiency of this enzyme results in glyco... aid2112.table aid2112.tbin
2113 423 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Probe Production centers Network [MLPCN] MLPCN Grant: 1R03MH084841-01 Assay Submitter (PI): Wei Zheng NCGC Assay Overview: Alpha-glucosidase is responsible for hydrolysis of terminal, non-reducing 1,4-linked alpha-D-glucose residues with release of alpha-D-glucose. It is a lysosomal hydrolase that is required for the degradation of a small percentage (1-3%) of cellular glycogen in human. Deficiency of this enzyme results in glycogen-s... aid2113.table aid2113.tbin
2114 14 NIH Molecular Libraries Probe Production Centers Network [MLPCN] NIH Chemical Genomics Center [NCGC] MLPCN Grant: R03 MH085689-01 Assay Submitter (PI): Kent Lai (University of Utah School of Medicine, 50 N Mario Capecchi Drive, Salt Lake City, UT 84132) Inherited deficiency of galactose-1-phosphate uridyltransferase (GALT) can result in a potentially lethal disorder called Classic Galactosemia (OMIM 230400). Several lines of evidence indicate that an elevated level of galactose-1-phosphate (gal... aid2114.table aid2114.tbin
2115 338 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Probe Production centers Network [MLPCN] MLPCN Grant: 1R03MH084841-01 Assay Submitter (PI): Wei Zheng NCGC Assay Overview: Alpha-glucosidase is responsible for hydrolysis of terminal, non-reducing 1,4-linked alpha-D-glucose residues with release of alpha-D-glucose. It is a lysosomal hydrolase that is required for the degradation of a small percentage (1-3%) of cellular glycogen in human. Deficiency of this enzyme results in glycogen-s... aid2115.table aid2115.tbin
2116 6 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Stefan Heller, Stanford University Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R03 MH083077-01 Grant Proposal PI: Stefan Heller, Stanford University External Assay ID: TRPML3-TRPML2_AG_PROBES_LATE STAGE Name: Late stage results from the probe development efforts to identify agoni... aid2116.table aid2116.tbin
2117 7 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Patrick Griffin, TSRI Network: Molecular Library Probe Production Center Network (MLPCN) Grant Proposal Number: U54 MH084512 Grant Proposal PI: Patrick Griffin, TSRI External Assay ID: ROR_MOD_PROBES_LATE_STAGE Name: Late stage results from the probe development effort to identify novel modulators of the Retinoic acid receptor-rel... aid2117.table aid2117.tbin
2120 1408 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Screening Centers Network [MLSCN] National Institutes of Environmental Health Sciences [NIEHS] National Toxicology Program [NTP] MLSCN Grant: None NCGC Assay Overview Hypoxia-inducible factor-1 (HIF-1) is the major hypoxia-regulated transcription factor that controls cellular responses to low oxygen concentration. HIF-1 is composed of two subunits: hypoxia responsive HIF-1a and constitutively expressed HIF-1b, which is also known as ... aid2120.table aid2120.tbin
2121 245 Data Source: Johns Hopkins Ion Channel Center BioAssay Type: Confirmatory, Confirmatory Screening, Multiple Concentration Activity Observed Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening Center PI: Min Li, Ph.D. Assay Provider: Dr. Sabina Kupershmidt, Vanderbilt University Medical Center Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1R03MH084820-01 Gra... aid2121.table aid2121.tbin
2122 299 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Proposal Number: 1X01MH077631-01 Assay Provider: Drs. Mark Mercola and Fred Levine, Sanford-Burnham Medical Research Institute and University of CA San Diego The ability to measure compound cytotoxicity is an essential tool for small molecule library screening using cell-bas... aid2122.table aid2122.tbin
2124 686 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Proposal Number: 1X01MH077631-01 Assay Provider: Drs. Mark Mercola and Fred Levine, Sanford-Burnham Medical Research Institute and University of CA San Diego The ability to identify compounds representing false positives caused by compound autofluorescence in cell-based assa... aid2124.table aid2124.tbin
2125 3 University of New Mexico Assay Overview: Assay Support: NIH 1 X01 MH077613-01 Assay for disassembly of the 26S Proteasome PI: Dorota Skowyra, PhD Assay implementation: Peter Simons PhD, Chris Allen PhD Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) Assay Background and Significance: This is a follow assay for AID 751, to which the reader is referred for more complete details. Briefly, the eukaryotic proteasome is an ATP-dependent proteolytic complex that consists of a 20... aid2125.table aid2125.tbin
2126 16 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1R21NS056945-01 Assay Provider: Dr. Nunzio Bottini, La Jolla Institute for Allergy and Immunology, La Jolla, CA LYP, is a lymphocyte specific protein tyrosine phosphatase that plays a critical regulatory role in T cell receptor signaling. The PTPN22 gene enco... aid2126.table aid2126.tbin
2127 152 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1 R03 MH086475-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute, San Diego CA Proteasomal degradation typically requires post-translational modification of target proteins with K48-linked polyubiquitin chains. This process of pr... aid2127.table aid2127.tbin
2128 1 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Peter Hodder, TSRI Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R21 NS059451-01 Fast Track Grant Proposal PI: Peter Hodder, TSRI External Assay ID: VIM2-SELECTIVE_INH_PROBES_LATE STAGE PROBE DATA Name: Late stage results from the probe development efforts to identify selective inh... aid2128.table aid2128.tbin
2129 315100 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Michael Cardone, Eutropics Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number 1 R43 CA135915-01 Fast Track Grant Proposal PI: Michael Cardone, Eutropics External Assay ID: BCLXLBIM_INH_FP_1536_1X%INH Name: Primary biochemical high throughput screening assay to identify inhibitors of BCL2-related protein, lon... aid2129.table aid2129.tbin
2130 315101 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Ben Cravatt, TSRI Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number 1 R01 CA132630 Fast Track Grant Proposal PI: Ben Cravatt, TSRI External Assay ID: PME1_INH_FP_1536_1X%INH Name: Fluorescence polarization-based primary biochemical high throughput screening assay to identify inhibitors of Protein Phosphatas... aid2130.table aid2130.tbin
2131 12 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Raymond Deshaies, California Institute of Technology Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R03 MH085687-01 Grant Proposal PI: Raymond Deshaies, California Institute of Technology External Assay ID: P97_INH_PROBES_LATE_STAGE Name: Late stage results from the probe developmen... aid2131.table aid2131.tbin
2132 3 University of New Mexico Assay Overview: Assay Support: NIH 1 X01 MH077613-01 Assay for disassembly of the 26S Proteasome PI: Dorota Skowyra, PhD Assay implementation: Peter Simons PhD, Chris Allen PhD Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) Assay Background and Significance: This is a counter-screen for AID 751, to which the reader is referred for more complete details. Briefly, the eukaryotic proteasome is an ATP-dependent proteolytic complex that consists of a ... aid2132.table aid2132.tbin
2133 37 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1X01DA026208-01 Assay Provider: Dr. Lawrance Barak, Duke University, Durham, NC Drug addiction is a disease originating in the central nervous system that produces compulsive behaviors despite the negative consequences that may result. Major addictive drugs o... aid2133.table aid2133.tbin
2134 16 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: XO1 MH077603-01 Assay Provider: Dr. Tomas Mustelin, Sanford-Burnham Medical Research Institute Protein tyrosine phosphatases (PTPs), working with protein tyrosine kinases (PTKs), control the phosphorylation state of many proteins in the signal transduction pathways. ... aid2134.table aid2134.tbin
2135 17 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1R21NS056945-01 Assay Provider: Dr. Nunzio Bottini, La Jolla Institute for Allergy and Immunology, La Jolla, CA LYP, is a lymphocyte specific protein tyrosine phosphatase that plays a critical regulatory role in T cell receptor signaling. The PTPN22 gene enco... aid2135.table aid2135.tbin
2136 210 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1X01DA026208-01 Assay Provider: Dr. Lawrance Barak , Duke University, Durham NC Drug addiction is a disease originating in the central nervous system that produces compulsive behaviors despite the negative consequences that may result. Major addictive drugs o... aid2136.table aid2136.tbin
2137 63 Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assay is to identify compounds that specifically reduce streptokinase expression without inhibiting cell growth. Active compounds from the primary screen were tested in 6-point, 3-fold dilution doses with starting concentration at 15 uM as follows. GAS UMAA2166 at OD600 equal to 0.015 were plated onto 384-well plates (Corning 3570) and incubated with te... aid2137.table aid2137.tbin
2138 63 Keywords: Group A streptococcus, GAS, streptokinase, virulence, inhibition, viability, EC50 Assay Overview: This assay measures cell viability and serves as a counter screen to identify compounds that specifically reduce streptokinase expression without inhibiting cell growth. Active compounds from the primary screen were tested in 6-point, 3-fold dilution doses with starting concentration at 15 uM as follows. GAS UMAA2166 at OD600 equal to 0.015 were plated onto 384-well plates (Corning 357... aid2138.table aid2138.tbin
2139 2 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Patrick Griffin, TSRI Network: Molecular Library Probe Production Center Network (MLPCN) Grant Proposal Number: U54 MH084512 Grant Proposal PI: Patrick Griffin, TSRI External Assay ID: ROR_MOD_PROBES_SUMMARY Name: Summary of probe development efforts to identify novel modulators of the Retinoic acid receptor-related Orphan Recepto... aid2139.table aid2139.tbin
2140 16 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1R21NS056945-01 Assay Provider: Dr. Nunzio Bottini, La Jolla Institute for Allergy and Immunology, La Jolla, CA LYP, is a lymphocyte specific protein tyrosine phosphatase that plays a critical regulatory role in T cell receptor signaling. The PTPN22 gene enco... aid2140.table aid2140.tbin
2141 152 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1 R03 MH086475-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute, San Diego CA Proteasomal degradation typically requires post-translational modification of target proteins with K48-linked polyubiquitin chains. This process of pr... aid2141.table aid2141.tbin
2142 27 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assay Provider: Claes Wahlestedt, Scripps Florida Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number 1 R21 NS056950-01 Grant Proposal PI: Claes Wahlestedt External Assay ID: NPY-Y2_ANT_PROBES_LATE_STAGE Name: Late stage results from the probe development effort to identify antagonists of neuropeptide Y receptor Y2 (NPY-Y2)... aid2142.table aid2142.tbin
2143 3 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Ben Cravatt, TSRI Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number 1 R01 CA132630 Fast Track Grant Proposal PI: Ben Cravatt, TSRI External Assay ID: PME1_INH_SUMMARY Name: Summary of probe development efforts to identify inhibitors of Protein Phosphatase Methylesterase 1 (PME-1). Description: Reversible ... aid2143.table aid2143.tbin
2145 13 University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain Interaction PI: Kazuhiro Nakamura, Ph.D Center PI: Larry Sklar, Ph.D Assay Implementatiion: Zurab Surviladze Ph.D, Mark Haynes Ph.D, Anna Waller Ph.D, Mark Carter MS Assay Background and Significance: PB1 (Phox/Bem1p) domains function as protein-protein interaction sites by forming PB1-PB1 domain heterodimers (Moscat, et al. 2006). There are at... aid2145.table aid2145.tbin
2147 229423 Assay Provider: Structural Genomics Consortium [SGC] Screening Center PI: Austin, C.P. Screening Center: NIH Chemical Genomics Center [NCGC] The fine interplay among methylation states of several lysine residues on the tails of histone proteins is a major determinant of the transcriptional state of the associated DNA coding regions and is commonly referred to as the histone code. Histone lysine demethylases catalyze the removal of methyl groups from methylated lysine sidechains on histones H3 an... aid2147.table aid2147.tbin
2148 2381 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assay Provider: Olivier Civelli, University of California, Irvine Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number 1-R03-DA026557-01 Grant Proposal PI: Olivier Civelli External Assay ID: MCHR1_ANT_FLUO8_1536_3X%INH Name: Fluorescence-based counterscreen for antagonists of the G-protein coupled receptor 7 (GPR7): ... aid2148.table aid2148.tbin
2149 2372 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Heather Harding, New York University School of Medicine Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1-R03-DA026554-01 Grant Proposal PI: Heather Harding, New York University School of Medicine External Assay ID: TPT1_INH_FP_1536_3X%INH Name: Fluorescence polarization-based biochemi... aid2149.table aid2149.tbin
2150 13 University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain Interaction PI: Kazuhiro Nakamura, Ph.D Center PI: Larry Sklar, Ph.D Assay Implementatiion: Zurab Surviladze Ph.D, Mark Haynes Ph.D, Anna Waller Ph.D, Mark Carter MS Assay Background and Significance: PB1 (Phox/Bem1p) domains function as protein-protein interaction sites by forming PB1-PB1 domain heterodimers (Moscat, et al. 2006). There are at... aid2150.table aid2150.tbin
2151 13 University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain Interaction PI: Kazuhiro Nakamura, Ph.D Center PI: Larry Sklar, Ph.D Assay Implementatiion: Zurab Surviladze Ph.D, Mark Haynes Ph.D, Anna Waller Ph.D, Mark Carter MS Assay Background and Significance: PB1 (Phox/Bem1p) domains function as protein-protein interaction sites by forming PB1-PB1 domain heterodimers (Moscat, et al. 2006). There are at... aid2151.table aid2151.tbin
2152 2251 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: A.D. Strosberg, TSRI Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number: 1-X01-MH085709-01 Grant Proposal PI: A.D. Strosberg, TSRI External Assay ID: HCVCORE_INH_HTRF_1536_3X%INH Name: TR-FRET-based biochemical high-throughput confirmation assay for inhibitors of Hepatitis C Virus (HCV) core protein dimeriza... aid2152.table aid2152.tbin
2153 2372 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Heather Harding, New York University School of Medicine Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1-R03-DA026554-01 Grant Proposal PI: Heather Harding, New York University School of Medicine External Assay ID: RNASETI_INH_FP_1536_3X%INH Name: Fluorescence polarization-based count... aid2153.table aid2153.tbin
2154 96 Data Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Gary Bokoch, TSRI Network: Molecular Libraries Probe Production Center Network (MLPCN) Grant Proposal Number: 1 R03 MH083264-01A1 Grant Proposal PI: Gary Bokoch, TSRI External Assay ID: NOX1_INH_PROBES_LATE_STAGE Name: Late stage results from the probe development effort to identify inhibitors of Nox1. Description: Host def... aid2154.table aid2154.tbin
2155 20 Assay Provider: Holman, T.R., University of California, Santa Cruz Screening Center PI: Austin, Christopher P. Screening Center: NIH Chemical Genomics Center Human lipoxygenase 15hLO-1 is a member of the closely related lipoxygenase family of enzymes which catalyze the site-specific oxidation of arachidonic acid to various hormone precursor molecules and as such is a candidate for drug development in a variety of disease areas, such as cancer and inflammation. The enzyme activity of 15hLO-1 was ... aid2155.table aid2155.tbin
2156 305678 Data Source: Johns Hopkins Ion Channel Center (JHICC_KCNQ2) BioAssay Type: Primary, Primary Screening, Single Concentration Activity Observed Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening Center PI: Min Li, Ph.D. Assay Provider: Min Li, Ph.D. Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R03 DA027716-01 Grant Proposal PI: Min Li, Ph.D., Johns Hopki... aid2156.table aid2156.tbin
2157 54 Assay Provider: Holman, T.R., University of California, Santa Cruz Screening Center PI: Austin, Christopher P. Screening Center: NIH Chemical Genomics Center Human lipoxygenase 15hLO-1 is a member of the closely related lipoxygenase family of enzymes which catalyze the site-specific oxidation of arachidonic acid to various hormone precursor molecules and as such is a candidate for drug development in a variety of disease areas, such as cancer and inflammation. Inhibition of 15hLO-1 activity was ... aid2157.table aid2157.tbin
2158 599 Cruzain is a cysteine protease from the tropical parasite Trypanosoma cruzi. This assay protocol is a follow-up and confirmation of related AID 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain -- with detergent). Cruzain was assayed by the use of fluorogenic coumarin-based substrate Z-FR-AMC: proteolytic cleavage releases AMC, whose fluorescence is measured at 360 nm excitation and 450 nm emission. Purified cruzain was supplied by the labs of Prof. James McKerrow and Brian Shoi... aid2158.table aid2158.tbin
2159 92 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: A.D. Strosberg, TSRI Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number: 1-X01-MH085709-01 Grant Proposal PI: A.D. Strosberg, TSRI External Assay ID: HCVCORE_INH_HTRF_1536_3XIC50 Name: TR-FRET-based biochemical high-throughput dose response assay to identify inhibitors of Hepatitis C Virus (HCV) core protein... aid2159.table aid2159.tbin
2160 19 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Heather Harding, New York University School of Medicine Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1-R03-DA026554-01 Grant Proposal PI: Heather Harding, New York University School of Medicine External Assay ID: TPT1_INH_FP_1536_3XIC50 Name: Fluorescence polarization-based biochemi... aid2160.table aid2160.tbin
2161 413 Assay Provider: Shoichet, Brian; University of California, San Fancisco Screening Center PI: Austin, C.P. Screening Center: NIH Chemical Genomics Center [NCGC] The following papain assay is a counterscreen for a related protein cruzain (AID: 1478). Cruzain is a cysteine protease from the tropical parasite Trypanosoma cruzi. Activity against papain was used to help prioritize chemical series active against cruzain. Papain is a closely related cysteine protease known to utilize the same Z-FR-AMC... aid2161.table aid2161.tbin
2162 95 Assay Provider: Holman, T.R., University of California, Santa Cruz Screening Center PI: Austin, Christopher P. Screening Center: NIH Chemical Genomics Center Human lipoxygenase 12hLO is a member of the closely related lipoxygenase family of enzymes which catalyze the site-specific oxidation of arachidonic acid to various hormone precursor molecules and as such is a candidate for drug development in a variety of disease areas, such as cancer and inflammation. Inhibition of 12hLO activity was scre... aid2162.table aid2162.tbin
2163 35 Assay Provider: Holman, T.R., University of California, Santa Cruz Screening Center PI: Austin, Christopher P. Screening Center: NIH Chemical Genomics Center The enzyme activity of 12-hLO was determined by a direct measurement of product formation by monitoring the absorbance at 234 nm in a 2 mL cuvette. IC50 values of inhibitors were obtained by measuring the enzymatic rate at a variety of concentrations (Carroll et al, Segraves et al). aid2163.table aid2163.tbin
2165 188 Data Source: The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Ross Levine, Memorial Sloan Kettering Cancer Center (MSKCC) Network: Molecular Libraries Probe Production Center Network (MLPCN) Grant Proposal Number: 1 R03 MH084174-01 Grant Proposal PI: Ross Levine, MSKCC External Assay ID: JAK2_INH_LEADS_LATE_STAGE Name: Late stage results from the probe development effort to identify inhibitors of the Janus... aid2165.table aid2165.tbin
2166 1720 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Michael Cardone, Eutropics Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number 1 R43 CA135915-01 Fast Track Grant Proposal PI: Michael Cardone, Eutropics External Assay ID: BCLXLBIM_INH_FP_1536_3X%INH Name: Counterscreen for MCL1 inhibitors: fluorescence polarization-based biochemical high throughput confirma... aid2166.table aid2166.tbin
2167 19 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Heather Harding, New York University School of Medicine Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1-R03-DA026554-01 Grant Proposal PI: Heather Harding, New York University School of Medicine External Assay ID: RNASETI _INH_FP_1536_3XIC50 Name: Counterscreen for inhibitors of tRNA... aid2167.table aid2167.tbin
2168 1720 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Michael Cardone, Eutropics Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number 1 R43 CA135915-01 Fast Track Grant Proposal PI: Michael Cardone, Eutropics External Assay ID: MCL-1BIM_INH_FP_1536_3X%INH Name: Fluorescence polarization-based biochemical high throughput confirmation assay for inhibitors of myeloi... aid2168.table aid2168.tbin
2170 2378 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: John Dalton and Donald Gardiner, Queensland Institute of Medical Research, Australia Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R03 MH084103-01 Grant Proposal PI: John Dalton and Donald Gardiner, Queensland Institute of Medical Research, Australia External Assay ID: PFM18AAP_INH_QFRET_1536_3X%INH ... aid2170.table aid2170.tbin
2171 1514 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Ben Cravatt, TSRI Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number 1 R01 CA132630 Fast Track Grant Proposal PI: Ben Cravatt, TSRI External Assay ID: PME1_INH_FP_1536_3X%INH Name: Fluorescence polarization-based biochemical high throughput confirmation assay for inhibitors of Protein Phosphatase Methylester... aid2171.table aid2171.tbin
2172 125 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: David Frick, New York Medical College Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R03 MH085690-01 Grant Proposal PI: David Frick, New York Medical College External Assay ID: DNAETBR_INH_FLINT_1536_3XIC50 Name: Counterscreen for HCV NS3 helicase inhibitors: Fluorescence-based bioc... aid2172.table aid2172.tbin
2173 125 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: David Frick, New York Medical College Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R03 MH085690-01 Grant Proposal PI: David Frick, New York Medical College External Assay ID: NS3DNA_INH_FLINT_1536_3XIC50 Name: Fluorescence-based biochemical high throughput dose response assay for ... aid2173.table aid2173.tbin
2174 315101 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Ben Cravatt, TSRI Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number 1 R01 CA132630 Fast Track Grant Proposal PI: Ben Cravatt, TSRI External Assay ID: LYPLA1_INH_FP_1536_1X%INH Name: Counterscreen for PME1 inhibitors: fluorescence polarization-based primary biochemical high throughput screening assay to iden... aid2174.table aid2174.tbin
2175 1 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Benjamin Cravatt, TSRI Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R01 CA087660-05 Fast Track Grant Proposal PI: Benjamin Cravatt, TSRI External Assay ID: GST01_INH_SUMMARY Name: Summary of probe development efforts to identify inhibitors of the oxidoreductase glutathione S-trans... aid2175.table aid2175.tbin
2176 2374 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Benjamin Cravatt, TSRI Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R01 CA087660-05 Fast Track Grant Proposal PI: Benjamin Cravatt, TSRI External Assay ID: GSTO1_INH_FP_1536_3X%INH Name: Fluorescence polarization-based biochemical high throughput confirmation assay for inhibitors ... aid2176.table aid2176.tbin
2177 315101 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Ben Cravatt, TSRI Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number 1 R01 CA132630 Fast Track Grant Proposal PI: Ben Cravatt, TSRI External Assay ID: LYPLA2_INH_FP_1536_1X%INH Name: Counterscreen for PME1 inhibitors: fluorescence polarization-based primary biochemical high throughput screening assay to iden... aid2177.table aid2177.tbin
2178 2378 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: John Dalton and Donald Gardiner, Queensland Institute of Medical Research, Australia Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number 1 R03 MH084103-01 Grant Proposal PI: John Dalton and Donald Gardiner, Queensland Institute of Medical Research, Australia External Assay ID: CTSL1_INH_QFRET_1536_3X%INH Name... aid2178.table aid2178.tbin
2179 9 Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University The primary pathophysiological change giving rise to the symptoms of Parkinson's disease (PD) is a loss of the dopaminergic neurons in the substantia nigra pars compacta (SNc) that are involved in modulating the function of basal ganglia (BG) nuclei. Unfortunately, traditional therapies for treatment of PD based on dopamine replacement strategies eventually fail in most patients and are associated with numerous s... aid2179.table aid2179.tbin
2180 9 Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University The primary pathophysiological change giving rise to the symptoms of Parkinson's disease (PD) is a loss of the dopaminergic neurons in the substantia nigra pars compacta (SNc) that are involved in modulating the function of basal ganglia (BG) nuclei. Unfortunately, traditional therapies for treatment of PD based on dopamine replacement strategies eventually fail in most patients and are associated with numerous s... aid2180.table aid2180.tbin
2181 3 Assigned Assay Grant Number: NS053536-01 Screening Center Name & PI: Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters, C. David Weaver Chemistry Center Name & PI: Vanderbilt Specialized Chemistry Center for Accelerated Probe Development, Craig W. Lindsley Assay Submitter & Institution: Colleen M. Niswender, Vanderbilt University The primary pathophysiological change giving rise to the symptoms of Parkinson's disease (PD) is a loss of the dopaminergic neurons in the substantia... aid2181.table aid2181.tbin
2182 3 Assigned Assay Grant Number: NS053536-01 Screening Center Name & PI: Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters, C. David Weaver Chemistry Center Name & PI: Vanderbilt Specialized Chemistry Center for Accelerated Probe Development, Craig W. Lindsley Assay Submitter & Institution: Colleen M. Niswender, Vanderbilt University The primary pathophysiological change giving rise to the symptoms of Parkinson's disease (PD) is a loss of the dopaminergic neurons in the substantia... aid2182.table aid2182.tbin
2183 2 Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University The primary pathophysiological change giving rise to the symptoms of Parkinson's disease (PD) is a loss of the dopaminergic neurons in the substantia nigra pars compacta (SNc) that are involved in modulating the function of basal ganglia (BG) nuclei. Unfortunately, traditional therapies for treatment of PD based on dopamine replacement strategies eventually fail in most patients and are associated with numerous ... aid2183.table aid2183.tbin
2184 197 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Peter Hodder, TSRI Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R21 NS059451-01 Fast Track Grant Proposal PI: Peter Hodder, TSRI External Assay ID: TEM-1NITRO_INH_EPIABS_1536_3X%INH COMMON CSRUN Name: Epi-absorbance-based counterscreen assay for common VIM-2 and IMP-1 inhibitors: ... aid2184.table aid2184.tbin
2185 36 Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University The primary pathophysiological change giving rise to the symptoms of Parkinson's disease (PD) is a loss of the dopaminergic neurons in the substantia nigra pars compacta (SNc) that are involved in modulating the function of basal ganglia (BG) nuclei. Unfortunately, traditional therapies for treatment of PD based on dopamine replacement strategies eventually fail in most patients and are associated with numerous s... aid2185.table aid2185.tbin
2186 3 Assay Provider: P. Jeffrey Conn Assay Provider Affiliation: Vanderbilt University Muscarinic acetylcholine receptors are family A GPCRs comprised of five distinct mammalian subtypes (mAChR1-5 or M1-M5), which are expressed differentially throughout the body and play an important role in a variety of physiological processes. Among the mAChRs, M1 and M4 have been historically considered attractive targets for small molecule treatments of numerous CNS disorders such as Alzheimer's disease and sch... aid2186.table aid2186.tbin
2187 1264 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Peter Hodder, TSRI Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R21 NS059451-01 Fast Track Grant Proposal PI: Peter Hodder, TSRI External Assay ID: VIM-2NITRO_INH_EPIABS_1536_3X%INH COMMON Name: Epi-absorbance-based confirmation assay for common VIM-2 and IMP-1 inhibitors: biochem... aid2187.table aid2187.tbin
2188 3 Assigned Assay Grant Number: NS053536-01 Screening Center Name & PI: Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters, C. David Weaver Chemistry Center Name & PI: Vanderbilt Specialized Chemistry Center for Accelerated Probe Development, Craig W. Lindsley Assay Submitter & Institution: Colleen M. Niswender, Vanderbilt University The primary pathophysiological change giving rise to the symptoms of Parkinson's disease (PD) is a loss of the dopaminergic neurons in the substantia... aid2188.table aid2188.tbin
2189 197 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Peter Hodder, TSRI Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R21 NS059451-01 Fast Track Grant Proposal PI: Peter Hodder, TSRI External Assay ID: IMP-1NITRO_INH_EPIABS_1536_3X%INH COMMON Name: Epi-absorbance-based confirmation assay for common IMP-1 and VIM-2 inhibitors: biochem... aid2189.table aid2189.tbin
2190 2 Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University The primary pathophysiological change giving rise to the symptoms of Parkinson's disease (PD) is a loss of the dopaminergic neurons in the substantia nigra pars compacta (SNc) that are involved in modulating the function of basal ganglia (BG) nuclei. Unfortunately, traditional therapies for treatment of PD based on dopamine replacement strategies eventually fail in most patients and are associated with numerous ... aid2190.table aid2190.tbin
2191 2 Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University The primary pathophysiological change giving rise to the symptoms of Parkinson's disease (PD) is a loss of the dopaminergic neurons in the substantia nigra pars compacta (SNc) that are involved in modulating the function of basal ganglia (BG) nuclei. Unfortunately, traditional therapies for treatment of PD based on dopamine replacement strategies eventually fail in most patients and are associated with numerous s... aid2191.table aid2191.tbin
2192 1 Assay Provider: P. Jeffrey Conn Assay Provider Affiliation: Vanderbilt University Muscarinic acetylcholine receptors are family A GPCRs comprised of five distinct mammalian subtypes (mAChR1-5 or M1-M5), which are expressed differentially throughout the body and play an important role in a variety of physiological processes. Among the mAChRs, M1 and M4 have been historically considered attractive targets for small molecule treatments of numerous CNS disorders such as Alzheimer's disease and sch... aid2192.table aid2192.tbin
2193 3 Assigned Assay Grant Number: NS053536-01 Screening Center Name & PI: Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters, C. David Weaver Chemistry Center Name & PI: Vanderbilt Specialized Chemistry Center for Accelerated Probe Development, Craig W. Lindsley Assay Submitter & Institution: Colleen M. Niswender, Vanderbilt University The primary pathophysiological change giving rise to the symptoms of Parkinson's disease (PD) is a loss of the dopaminergic neurons in the substantia... aid2193.table aid2193.tbin
2194 1 Assay Provider: P. Jeffrey Conn Assay Provider Affiliation: Vanderbilt University Muscarinic acetylcholine receptors are family A GPCRs comprised of five distinct mammalian subtypes (mAChR1-5 or M1-M5), which are expressed differentially throughout the body and play an important role in a variety of physiological processes. Among the mAChRs, M1 and M4 have been historically considered attractive targets for small molecule treatments of numerous CNS disorders such as Alzheimer's disease and sch... aid2194.table aid2194.tbin
2195 125 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: John Dalton and Donald Gardiner, Queensland Institute of Medical Research, Australia Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R03 MH084103-01 Grant Proposal PI: John Dalton and Donald Gardiner, Queensland Institute of Medical Research, Australia External Assay ID: PFM18AAP_INH_QFRET_1536_3XIC50 ... aid2195.table aid2195.tbin
2196 125 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: John Dalton and Donald Gardiner, Queensland Institute of Medical Research, Australia Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R03 MH084103-01 Grant Proposal PI: John Dalton and Donald Gardiner, Queensland Institute of Medical Research, Australia External Assay ID: CTSL1_INH_QFRET_1536_3XIC50 Nam... aid2196.table aid2196.tbin
2197 36 Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University The primary pathophysiological change giving rise to the symptoms of Parkinson's disease (PD) is a loss of the dopaminergic neurons in the substantia nigra pars compacta (SNc) that are involved in modulating the function of basal ganglia (BG) nuclei. Unfortunately, traditional therapies for treatment of PD based on dopamine replacement strategies eventually fail in most patients and are associated with numerous s... aid2197.table aid2197.tbin
2198 18 Assay Provider: P. Jeffrey Conn Assay Provider Affiliation: Vanderbilt University Muscarinic acetylcholine receptors are family A GPCRs comprised of five distinct mammalian subtypes (mAChR1-5 or M1-M5), which are expressed differentially throughout the body and play an important role in a variety of physiological processes. Among the mAChRs, M1 and M4 have been historically considered attractive targets for small molecule treatments of numerous CNS disorders such as Alzheimer's disease and sch... aid2198.table aid2198.tbin
2199 2 Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University The primary pathophysiological change giving rise to the symptoms of Parkinson's disease (PD) is a loss of the dopaminergic neurons in the substantia nigra pars compacta (SNc) that are involved in modulating the function of basal ganglia (BG) nuclei. Unfortunately, traditional therapies for treatment of PD based on dopamine replacement strategies eventually fail in most patients and are associated with numerous s... aid2199.table aid2199.tbin
2202 2 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Ben Cravatt, TSRI Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R01 CA132630 Fast Track Grant Proposal PI: Ben Cravatt, TSRI External Assay ID: LYPLA1_INH_POST-PRUN_SUMMARY Name: Summary of probe development efforts to identify inhibitors of lysophospholipase 1 (LYPLA1). Description: Reversible pro... aid2202.table aid2202.tbin
2203 1 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Ben Cravatt, TSRI Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R01 CA132630 Fast Track Grant Proposal PI: Ben Cravatt, TSRI External Assay ID: LYPLA2_INH_POST-PRUN_SUMMARY Name: Summary of probe development efforts to identify inhibitors of lysophospholipase 2 (LYPLA2). Description: Reversible pro... aid2203.table aid2203.tbin
2204 11 Assay Provider: P. Jeffrey Conn Assay Provider Affiliation: Vanderbilt University Muscarinic acetylcholine receptors are family A GPCRs comprised of five distinct mammalian subtypes (mAChR1-5 or M1-M5), which are expressed differentially throughout the body and play an important role in a variety of physiological processes. Among the mAChRs, M1 and M4 have been historically considered attractive targets for small molecule treatments of numerous CNS disorders such as Alzheimer's disease and sch... aid2204.table aid2204.tbin
2205 195853 Agents that perturb the dynamics of cellular microtubules (MTs) are proven cell biology tools, antitumor agents, and antifungal agents. Some have also shown promise as inhibitors of angiogenesis. Microtubule dynamics can be altered by small molecules through a variety of mechanisms, including direct interaction with tubulin (typically leading to inhibition of proliferation into microtubules -- aka tubulin polymerization inhibitors; e.g., colchicinoids and vinca alkaloids), direct interaction with... aid2205.table aid2205.tbin
2206 18 Assay Provider: P. Jeffrey Conn Assay Provider Affiliation: Vanderbilt University Muscarinic acetylcholine receptors are family A GPCRs comprised of five distinct mammalian subtypes (mAChR1-5 or M1-M5), which are expressed differentially throughout the body and play an important role in a variety of physiological processes. Among the mAChRs, M1 and M4 have been historically considered attractive targets for small molecule treatments of numerous CNS disorders such as Alzheimer's disease and sch... aid2206.table aid2206.tbin
2207 3 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Claes Wahlestedt, Scripps Florida Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R21 NS056950-01 Grant Proposal PI: Claes Wahlestedt External Assay ID: NPY-Y2_POT_CNGC_1536_3XEC50 CSDRUN Name: Fluorescence counterscreen for potentiators or agonists of NPY-Y1: Cell-based high-throughpu... aid2207.table aid2207.tbin
2208 23 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Claes Wahlestedt, Scripps Florida Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R21 NS056950-01 Grant Proposal PI: Claes Wahlestedt External Assay ID: NPY-Y1_AG_CNGC_1536_3XEC50 Name: Fluorescence-based dose response cell-based high-throughput screening assay for agonists of NPY-Y1. ... aid2208.table aid2208.tbin
2209 3 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Claes Wahlestedt, Scripps Florida Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R21 NS056950-01 Grant Proposal PI: Claes Wahlestedt External Assay ID: NPY-Y1_AG_CNGC_1536_3XEC50 Name: Fluorescence-based dose response cell-based high-throughput screening assay for agonists of NPY-Y1. ... aid2209.table aid2209.tbin
2210 89 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Claes Wahlestedt, Scripps Florida Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R21 NS056950-01 Grant Proposal PI: Claes Wahlestedt External Assay ID: NPY-Y2_AG_CNGC_1536_3XEC50 Name: Fluorescence-based cell-based high-throughput dose response assay for agonists of NPY-Y2. Descripti... aid2210.table aid2210.tbin
2211 6 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Claes Wahlestedt, Scripps Florida Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R21 NS056950-01 Grant Proposal PI: Claes Wahlestedt External Assay ID: NPY-Y1_POT_CNGC_1536_3XEC50 CSDRUN Name: Fluorescence-based counterscreen for potentiators or agonists of NPY-Y2: cell-based high-thr... aid2211.table aid2211.tbin
2212 89 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Claes Wahlestedt, Scripps Florida Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R21 NS056950-01 Grant Proposal PI: Claes Wahlestedt External Assay ID: NPY-Y1_AG_CNGC_1536_3XEC50 CSDRUN Name: Fluorescence-based counterscreen for agonists of NPY-Y2: cell-based high-throughput dose resp... aid2212.table aid2212.tbin
2213 24 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Claes Wahlestedt, Scripps Florida Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R21 NS056950-01 Grant Proposal PI: Claes Wahlestedt External Assay ID: HEKCNGC_INH_CNGC_1536_3XIC50 Y1 CSDRUN Name: Fluorescence-based counterscreen for potentiators or agonists of NPY-Y1: cell-based high... aid2213.table aid2213.tbin
2214 117 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: John Dalton and Donald Gardiner, Queensland Institute of Medical Research, Australia Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R03 MH084103-01 Grant Proposal PI: John Dalton and Donald Gardiner, Queensland Institute of Medical Research, Australia External Assay ID: CTSL1_INH_QFRET_1536_3XIC50 CSDR... aid2214.table aid2214.tbin
2215 117 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: John Dalton and Donald Gardiner, Queensland Institute of Medical Research, Australia Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R03 MH084103-01 Grant Proposal PI: John Dalton and Donald Gardiner, Queensland Institute of Medical Research, Australia External Assay ID: PFM18AAP_INH_QFRET_1536_3XIC50 C... aid2215.table aid2215.tbin
2216 302453 Broad Institute MLPCN RanGTP Inhibitor Screening Project ID: 2041 Keywords: FRET assay, HTS, RanGTP-Importin-beta complex, small molecule inhibitor, Cell division, Cancer Primary Collaborators: Rebecca Heald, UC Berkley, bheald@berkeley.edu Karsten Weis,UC Berkley,kweis@berkeley.edu Project Overview: Mitosis in eukaryotic cells is characterized by a series of discrete steps that ultimately lead to the equal segregation of the duplicated genome into daughter cells The structural rearrangement... aid2216.table aid2216.tbin
2217 128 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Michael Cardone, Eutropics Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R43 CA135915-01 Fast Track Grant Proposal PI: Michael Cardone, Eutropics External Assay ID: MCL1BIM_INH_FP_1536_3XIC50 Name: Fluorescence polarization-based biochemical high throughput dose response assay for inhibitors of myelo... aid2217.table aid2217.tbin
2218 128 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Michael Cardone, Eutropics Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R43 CA135915-01 Fast Track Grant Proposal PI: Michael Cardone, Eutropics External Assay ID: BCLXLBIM_INH_FP_1536_3XIC50 Name: Counterscreen for inhibitors of MCL1: fluorescence polarization-based biochemical high throughput dose... aid2218.table aid2218.tbin
2219 24 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Claes Wahlestedt, Scripps Florida Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number 1 R21 NS056950-01 Grant Proposal PI: Claes Wahlestedt External Assay ID: NPY-Y2_AG_CNGC_1536_3XEC50 CSDRUN Name: Fluorescence-based counterscreen for agonists of NPY-Y1: cell-based high-throughput dose respo... aid2219.table aid2219.tbin
2220 6 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Claes Wahlestedt, Scripps Florida Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R21 NS056950-01 Grant Proposal PI: Claes Wahlestedt External Assay ID: NPY-Y2_POT_CNGC_1536_3XEC50 Name: Fluorescence-based cell-based high-throughput dose response assay for potentiators or agonists of N... aid2220.table aid2220.tbin
2221 293466 Broad Institute: Intein TB Project ID: 2047 Keywords: GFP-RecA intein, refolding, reducing reagent, GFP fluorescence, protein splicing Primary Collaborators: Henry Paulus,Boston Biomedical Research Institute,paulus@bbri.org Project Overview: Tuberculosis (TB) is globally the most widespread infectious disease. Two billion people, one third of the world's population, are infected with Mycobacterium tuberculosis and 5-10% of these suffer active disease, leading to nearly 3 million deaths annua... aid2221.table aid2221.tbin
2224 89 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Claes Wahlestedt, Scripps Florida Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R21 NS056950-01 Grant Proposal PI: Claes Wahlestedt External Assay ID: HEKCNGC_INH_CNGC_1536_3XIC50 Y2 CSDRUN Name: Fluorescence-based counterscreen for potentiators or agonists of NPY-Y2: cell-based high... aid2224.table aid2224.tbin
2227 305669 Data Source: Johns Hopkins Ion Channel Center (JHICC) BioAssay Type: Primary, Primary Screening, Single Concentration Activity Observed Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening Center PI: Min Li, Ph.D. Assay Provider: Michael Zhu, Ph.D., Ohio State University Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R21 NS056942-01 Grant Proposal PI: Micha... aid2227.table aid2227.tbin
2228 8 Firefly (Photinus pyralis) luciferase (FLuc) is widely used as a reporter in biological assays. PTC124 (Ataluren , SID 85852879) is a small molecule clinical candidate that was optimized in FLuc based assays [1], and has been independently demonstrated to be a highly potent inhibitor of FLuc [2]. PTC124 and related inhibitors of FLuc have been shown to stabilize luciferase and increase enzyme levels leading to an apparent nonspecific activation, which can lead to false positive results in FLuc-... aid2228.table aid2228.tbin
2229 4 Firefly (Photinus pyralis) luciferase (FLuc) is widely used as a reporter in biological assays. PTC124 (Ataluren , SID 85852879) is a small molecule clinical candidate that was optimized in FLuc based assays [1], and has been independently demonstrated to be a highly potent inhibitor of FLuc [2]. PTC124 and related inhibitors of FLuc have been shown to stabilize luciferase and increase enzyme levels leading to an apparent nonspecific activation, which can lead to false positive results in FLuc-... aid2229.table aid2229.tbin
2230 193 Excerpt from MH0882340 application (Dr. James Morris, Clemson University) Trypanosoma brucei, the digenic protozoan parasite that causes African sleeping sickness in man, annually infects ~500,000 people in sub-Saharan Africa, leading to 50,000-70,000 deaths per year. Glucose metabolism is essential for the parasite, with the pathogenic lifestage of the parasite, the bloodstream form (BSF), acquiring energy exclusively through glycolysis. Hexokinase (HK), the first enzyme in glycolysis, cata... aid2230.table aid2230.tbin
2232 1098 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Ben Cravatt, TSRI Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R01 CA132630 Fast Track Grant Proposal PI: Ben Cravatt, TSRI External Assay ID: LYPLA2_INH_FP_1536_3X%INH Name: Counterscreen for PME1 inhibitors: fluorescence polarization-based biochemical high throughput confirmation assay to identify... aid2232.table aid2232.tbin
2233 478 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Ben Cravatt, TSRI Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R01 CA132630 Fast Track Grant Proposal PI: Ben Cravatt, TSRI External Assay ID: LYPLA1_INH_FP_1536_3X%INH Name: Counterscreen for PME1 inhibitors: fluorescence polarization-based biochemical high throughput confirmation assay for inhibit... aid2233.table aid2233.tbin
2234 315101 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Paul Lieberman, Wistar Institute Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: I R21 NS063906-01 Grant Proposal PI: Paul Lieberman, Wistar Institute External Assay ID: ZTA_INH_FP_1536_1X%INH Name: Counterscreen for inhibitors of EBNA-1: fluorescence polarization-based biochemical hig... aid2234.table aid2234.tbin
2235 315101 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Richard Honkanen, University of South Alabama Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R03 MH085702-01A1 Grant Proposal PI: Richard Honkanen, University of South Alabama External Assay ID: PP1_INH_FLINT_1536_1X%INH Name: Counterscreen for inhibitors of PP5: fluorescence-based ... aid2235.table aid2235.tbin
2236 320 Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening Center PI: Min Li, Ph.D. Assay Provider: Elena Makhina Ph.D., University of Pittsburgh Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R03 MH084087-01 Grant Proposal PI: Elena Makhina Ph.D., University of Pittsburgh Assay Implementation: Meng Wu Ph.D., Melissa Miller, Amy Scott M.S., Shunyou Long M.S., Haibo ... aid2236.table aid2236.tbin
2237 305669 Data Source: Johns Hopkins Ion Channel Center (JHICC) BioAssay Type: Primary, Primary Screening, Single Concentration Activity Observed Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening Center PI: Min Li, Ph.D. Assay Provider: Michael Zhu, Ph.D., Ohio State University Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R21 NS056942-01 Grant Proposal PI: Micha... aid2237.table aid2237.tbin
2238 65 Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Probe Production Centers Network (MLPCN) Assay Provider: Dr. Marintha Heil, Southern Research Institute Award: 1R03 MH084847-01 West Nile virus (WNV) is a mosquito borne infectious agent that causes febrile illness and occasionally encephalitis. Outbreaks had been reported in Africa, Asia, and Europe since 1937. In 1999, the first case of WNV was de... aid2238.table aid2238.tbin
2239 305669 Data Source: Johns Hopkins Ion Channel Center (JHICC) BioAssay Type: Primary, Primary Screening, Single Concentration Activity Observed Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening Center PI: Min Li, Ph.D. Assay Provider: Min Li, Ph.D. Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R03 DA027716-01 Grant Proposal PI: Min Li, Ph.D., Johns Hopkins Univ... aid2239.table aid2239.tbin
2240 37420 This data was generated through collaboration with the National Cancer Institute's Initiative for Chemical Genetics Internal Project ID: 2007 Keywords: MITF, Microphthalmia-associated transcription factor, TRPM1 gene, melanocyte proliferation Assay: To identify broad suppressors of MITF activity - either by suppression of MITF expression or by inhibition of MITF activity (without affecting expression). Expected Outcome: Active wells will show a reduced luminescence intensity due to fewer via... aid2240.table aid2240.tbin
2241 20756 This data was generated through collaboration with the National Cancer Institute's Initiative for Chemical Genetics. Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborators: Todd Golub, Broad Institute, golub@broadinstitute.org Project Overview: The bcl family protein A1 is an anti-apoptotic factor that works in a manner similar to other proteins such as Bcl2 and BclXL, binding to and inhibiting pro-apoptotic factors such as BIM and tBid. Many cancers are depende... aid2241.table aid2241.tbin
2242 199303 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Probe Production centers Network [MLPCN] MLPCN Grant: 1R03MH084841-01 Assay Submitter (PI): Wei Zheng NCGC Assay Overview: Alpha-glucosidase is responsible for hydrolysis of terminal, non-reducing 1,4-linked alpha-D-glucose residues with release of alpha-D-glucose. It is a lysosomal hydrolase that is required for the degradation of a small percentage (1-3%) of cellular glycogen in human. Deficiency of this enzyme results in glycogen-s... aid2242.table aid2242.tbin
2243 2 Data Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Benjamin Cravatt, TSRI Network: Molecular Libraries Probe Production Center Network (MLPCN) Grant Proposal Number: 1 2 R01 CA087660-05 Fast Track Grant Proposal PI: Benjamin Cravatt, TSRI External Assay ID: HEK 293T VIABILITY_INH_LUMI_96_CC50 Name: Late stage results from the probe development effort to identify inhibitors of... aid2243.table aid2243.tbin
2244 65 Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Probe Production Centers Network (MLPCN) Assay Provider: Dr. Marintha Heil, Southern Research Institute Award: 1R03 MH084847-01 This functional assay was developed for detection of compounds inhibiting Vero E6 cells viability as a secondary screen to the West Nile Virus anti-viral assay. In addition to profiling potential lead compounds for cytotoxici... aid2244.table aid2244.tbin
2245 9 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1 R03 MH084844-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute The modulation of immune response activity is one of the major goals in the development of novel therapeutics for auto-immune and inflammatory diseases. The innate s... aid2245.table aid2245.tbin
2247 304070 Data Source: Johns Hopkins Ion Channel Center (JHICC) BioAssay Type: Primary, Primary Screening, Single Concentration Activity Observed Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening Center PI: Min Li, Ph.D. Assay Provider: Michael Zhu, Ph.D., Ohio State University Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R21 NS056942-01 Grant Proposal PI: Micha... aid2247.table aid2247.tbin
2248 1 Data Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Benjamin Cravatt, TSRI Network: Molecular Libraries Probe Production Center Network (MLPCN) Grant Proposal Number: 1 2 R01 CA087660-05 Fast Track Grant Proposal PI: Benjamin Cravatt, TSRI External Assay ID: RBBP9_INH_FP_GEL_FILTRATION Name: Late stage results from the probe development effort to identify inhibitors of Retinob... aid2248.table aid2248.tbin
2250 9 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: 1 R03 MH084844-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute The modulation of immune response activity is one of the major goals in the development of novel therapeutics for auto-immune and inflammatory diseases. The innate system r... aid2250.table aid2250.tbin
2251 126 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assay Provider: Olivier Civelli, University of California, Irvine Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number: 1-R03-DA026557-01 Grant Proposal PI: Olivier Civelli External Assay ID: GPR7_ANT_FLUO8_1536_3X%IC50 Name: Fluorescence-based dose response cell-based high throughput screening assay to identify anta... aid2251.table aid2251.tbin
2252 2302 Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Probe Production Centers Network (MLPCN) Assay Provider: Dr. Jason Harris, Massachusetts General Hospital Award: 1R21-NS059429-01 Cytoxicity Assay Rationale and Summary: The PhoP regulon is a major regulator of virulence in Salmonella that also controls the adaptation to Mg2+-limiting environments. The PhoP system enables Salmonella to determine its p... aid2252.table aid2252.tbin
2253 2237 Cytoxicity Assay Rationale and Summary: The PhoP regulon is a major regulator of virulence in Salmonella that also controls the adaptation to Mg2+-limiting environments. The PhoP system enables Salmonella to determine its presence in an intracellular or extracellular environment, and to promote the expression of genes required for survival within or entry into host cells, respectively. The DNA sequence for the PhoP locus indicates that it is composed of two genes present in an operon, termed pho... aid2253.table aid2253.tbin
2254 7 Data Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Benjamin Cravatt, TSRI Network: Molecular Libraries Probe Production Center Network (MLPCN) Grant Proposal Number: 1 2 R01 CA087660-05 Fast Track Grant Proposal PI: Benjamin Cravatt, TSRI External Assay ID: RBBP9_INH_FP_GEL_3XIC50 Name: Late stage results from the probe development effort to identify inhibitors of Retinoblast... aid2254.table aid2254.tbin
2255 7 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1 R03 MH084844-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute, San Diego CA The modulation of immune response activity is one of the major goals in the development of novel therapeutics for auto-immune and inflammatory disease... aid2255.table aid2255.tbin
2256 3 Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening Center PI: Min Li, Ph.D. Assay Provider: Michael Zhu, Ph.D., Ohio State University Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R21 NS056942-01 Grant Proposal PI: Michael Zhu, Ph.D., Ohio State University Assay Implementation: Meng Wu Ph.D., Melissa Miller, Amy Scott M.S., Shunyou Long M.S., Kaiping Xu M.S... aid2256.table aid2256.tbin
2257 126 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assay Provider: Olivier Civelli, University of California, Irvine Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number: 1-R03-DA026557-01 Grant Proposal PI: Olivier Civelli External Assay ID: MCHR1_ANT_FLUO8_1536_3X%IC50 Name: Fluorescence-based counterscreen for antagonists of the G-protein coupled receptor 7 (GPR7)... aid2257.table aid2257.tbin
2260 9 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: 1 R03 MH084844-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute The modulation of immune response activity is one of the major goals in the development of novel therapeutics for auto-immune and inflammatory diseases. The innate system r... aid2260.table aid2260.tbin
2261 7 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number: 1 R03 MH084844-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute, San Diego CA The modulation of immune response activity is one of the major goals in the development of novel therapeutics for auto-immune and inflammatory diseases. The... aid2261.table aid2261.tbin
2263 54 NIH Chemical Genomics Center [NCGC] Matthew G. Vander Heiden, M.D., Ph.D. [Harvard Medical School, 77 Avenue Louis Pasteur, Boston, MA 02115] MLPCN Grant: 1 R03 MH085679-01 NCGC Assay Overview: Human pyruvate kinase muscle 2 (hPK-M2) enzyme was supplied as a highly purified (>95% pure) preparation from Harvard Medical School and assayed for its ability to generate ATP from ADP using phosphoenolpyruvate (PEP) as a substrate. ATP generation was detected in a coupled reaction by luciferase-mediated... aid2263.table aid2263.tbin
2264 7 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1 R03 MH084844-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute, San Diego CA The modulation of immune response activity is one of the major goals in the development of novel therapeutics for auto-immune and inflammatory disease... aid2264.table aid2264.tbin
2265 54 NIH Chemical Genomics Center [NCGC] Matthew G. Vander Heiden, M.D., Ph.D. [Harvard Medical School, 77 Avenue Louis Pasteur, Boston, MA 02115] MLPCN Grant: 1 R03 MH085679-01 NCGC Assay Overview: Luciferase (Kinase-Glo, Promega Corporation) was assayed for its ability to generate light using ATP and luciferin as substrates. The ATP concentration in the assay (10 uM) was within the linear range of enzyme activity for the assay conditions used. This assay was used as an counter screen for human pyru... aid2265.table aid2265.tbin
2266 3 NIH Chemical Genomics Center [NCGC] Malcolm Walkinshaw, Hugh Morgan, Linda Gilmore University of Edinburgh, UK MLPCN Grant: 1 R03 MH085697-01 Species of Leishmania are responsible for a wide spectrum of diseases throughout the tropics and subtropics, ranging from self-healing ulcers to highly disfiguring lesions and serious, often lethal visceral diseases, such as kala-azar. In Leishmania spp. it has been shown that both sugar uptake and gluconeogenesis are necessary to synthesize sufficient hex... aid2266.table aid2266.tbin
2267 54 NIH Chemical Genomics Center [NCGC] Matthew G. Vander Heiden, M.D., Ph.D. [Harvard Medical School, 77 Avenue Louis Pasteur, Boston, MA 02115] MLPCN Grant: 1 R03 MH085679-01 NCGC Assay Overview: Human pyruvate kinase muscle 2 (hPK-M2)enzyme was supplied as a highly purified (>95% pure) preparation from Harvard Medical School and a secondary assay was used to evaluate compounds. This assay couples the formation of pyruvate from hPK-M2 using lactate dehydrogenase (LDH) and NADH. The depletion of NA... aid2267.table aid2267.tbin
2269 37 Data Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Benjamin Cravatt, TSRI Network: Molecular Libraries Probe Production Center Network (MLPCN) Grant Proposal Number: 1 2 R01 CA087660-05 Fast Track Grant Proposal PI: Benjamin Cravatt, TSRI External Assay ID: RBBP9_INH_FP_GEL_%INH Name: Late stage results from the probe development effort to identify inhibitors of Retinoblastom... aid2269.table aid2269.tbin
2270 1756 University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. cerevisiae PI: Maggie Werner-Washburne Center PI: Larry Sklar Assay Implementation: Jun Chen, Chris Allen, Susan Young, Anna Waller, Mark Carter Assay Background and Significance: The target of rapamycin, TOR, is a ser/thr protein kinase evolutionarily conserved from yeast to man [Wullschleger, et al. 2006]. TOR functions in two distinct protein... aid2270.table aid2270.tbin
2271 1756 University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. cerevisiae PI: Maggie Werner-Washburne Center PI: Larry Sklar Assay Implementation: Jun Chen, Chris Allen, Susan Young, Anna Waller, Mark Carter Assay Background and Significance: The target of rapamycin, TOR, is a ser/thr protein kinase evolutionarily conserved from yeast to man [Wullschleger, et al. 2006]. TOR functions in two distinct protein... aid2271.table aid2271.tbin
2272 1756 University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. cerevisiae PI: Maggie Werner-Washburne Center PI: Larry Sklar Assay Implementation: Jun Chen, Chris Allen, Susan Young, Anna Waller, Mark Carter Assay Background and Significance: The target of rapamycin, TOR, is a ser/thr protein kinase evolutionarily conserved from yeast to man [Wullschleger, et al. 2006]. TOR functions in two distinct protein... aid2272.table aid2272.tbin
2273 1756 University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. cerevisiae PI: Maggie Werner-Washburne Center PI: Larry Sklar Assay Implementation: Jun Chen, Chris Allen, Susan Young, Anna Waller, Mark Carter Assay Background and Significance: The target of rapamycin, TOR, is a ser/thr protein kinase evolutionarily conserved from yeast to man [Wullschleger, et al. 2006]. TOR functions in two distinct protein... aid2273.table aid2273.tbin
2274 1756 University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. cerevisiae PI: Maggie Werner-Washburne Center PI: Larry Sklar Assay Implementation: Jun Chen, Chris Allen, Susan Young, Anna Waller, Mark Carter Assay Background and Significance: The target of rapamycin, TOR, is a ser/thr protein kinase evolutionarily conserved from yeast to man [Wullschleger, et al. 2006]. TOR functions in two distinct protein... aid2274.table aid2274.tbin
2275 30036 This data was generated through collaboration with the National Cancer Institute's Initiative for Chemical Genetics Internal Project ID: 2013 Keywords: Ras, apoptosis, cancer, VDAC, oxidative cell death Assay: Cell viability of BJeLR (BJ fibroblasts transformed with hTERT, genomic SV40 LT and ST oncoproteins, and oncogenic HRASV12). Using CellTiterGlo, which measures the amount of intracellular ATP from living cells, the total amount of viable cells can be measured by luminescence readout. C... aid2275.table aid2275.tbin
2276 54 NIH Chemical Genomics Center [NCGC] Matthew G. Vander Heiden, M.D., Ph.D. [Harvard Medical School, 77 Avenue Louis Pasteur, Boston, MA 02115] MLPCN Grant: 1 R03 MH085679-01 The metabolism of cancer cells is altered to support rapid proliferation. Otto Warburg was first to notice that cancer cells produce lactate even in the presence of oxygen [1,2]. This altered metabolism, known as the Warburg effect, is thought to give tumor cells a selective growth advantage relative to normal cells [3]. At l... aid2276.table aid2276.tbin
2277 14 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Patrick Griffin, TSRI Network: Molecular Library Probe Production Center Network (MLPCN) Grant Proposal Number: U54 MH084512 Grant Proposal PI: Hugh Rosen, TSRI External Assay ID: NUCLEAR-RECEPTOR_MOD_LUMI_384_1XFOLDCHANGE Name: Center Based Initiative to identify novel modulators of the Retinoic acid receptor-related Orphan Recep... aid2277.table aid2277.tbin
2278 42 NIH Molecular Libraries Screening Centers Network [MLSCN] NIH Chemical Genomics Center [NCGC] MLSCN Grant: XO1-MH079852-01 PI Name: Nicholson, Ben. Progenra Inc, Malvern, PA NCGC Assay Overview: Homeostasis of cellular proteins is maintained through a combination of synthesis and degradation. The pathway that accounts for the majority of protein degradation is the ubiquitin-proteasomal pathway. Ubiquitin (Ub) is highly conserved in all cells and the generation of a multi-Ub chain typically tar... aid2278.table aid2278.tbin
2279 343 Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Probe Production Centers Network (MLPCN) Assay Provider: Dr. Miriam Gochin, Touro University Award 1R21NS059403-01 With over 30 million people infected worldwide, and an estimated 2.5 million new infections and 2.1 million AIDS-related deaths occurring each year, human immunodeficiency virus type 1 (HIV-1) has a significant public health and socioecon... aid2279.table aid2279.tbin
2280 324857 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assay Provider: James R. Williamson, TSRI Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R21 NS056951-01 Grant Proposal PI: James R. Williamson External Assay ID: GLD1_INH_FP_1536_1X%INH Name: Fluorescence polarization-based primary biochemical high throughput screening assay to identify inhibitors of GLD-1 ... aid2280.table aid2280.tbin
2281 29 NIH Molecular Libraries Screening Centers Network [MLSCN] NIH Chemical Genomics Center [NCGC] MLSCN Grant: XO1-MH079852-01 PI Name: Nicholson, Ben. Progenra Inc, Malvern, PA NCGC Assay Overview: Homeostasis of cellular proteins is maintained through a combination of synthesis and degradation. The pathway that accounts for the majority of protein degradation is the ubiquitin-proteasomal pathway. Ubiquitin (Ub) is highly conserved in all cells and the generation of a multi-Ub chain typically tar... aid2281.table aid2281.tbin
2282 1189 Data Source: Johns Hopkins Ion Channel Center BioAssay Type: Counter Screening, Single Concentration Activity Observed Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening Center PI: Min Li, Ph.D. Assay Provider: Min Li, Ph.D. Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R03 DA027716-01 Grant Proposal PI: Min Li, Ph.D., Johns Hopkins University School of... aid2282.table aid2282.tbin
2283 1189 Data Source: Johns Hopkins Ion Channel Center BioAssay Type: Counter Screening, Single Concentration Activity Observed Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening Center PI: Min Li, Ph.D. Assay Provider: Min Li, Ph.D. Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R03 DA027716-01 Grant Proposal PI: Min Li, Ph.D., Johns Hopkins University School of... aid2283.table aid2283.tbin
2284 30 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number: 1X01DA026208-01 Assay Provider: Dr. Lawrance Barak , Duke University, Durham NC Drug addiction is a disease originating in the central nervous system that produces compulsive behaviors despite the negative consequences that may result. Major addictive drugs of abus... aid2284.table aid2284.tbin
2285 32 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number: 1X01DA026208-01 Assay Provider: Dr. Lawrance Barak , Duke University, Durham NC Drug addiction is a disease originating in the central nervous system that produces compulsive behaviors despite the negative consequences that may result. Major addictive drugs of abuse... aid2285.table aid2285.tbin
2286 343 Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Probe Production Centers Network (MLPCN) Assay Provider: Dr. Miriam Gochin, Touro University Award 1R21NS059403-01 With over 30 million people infected worldwide, and an estimated 2.5 million new infections and 2.1 million AIDS-related deaths occurring each year, human immunodeficiency virus type 1 (HIV-1) has a significant public health and socioecon... aid2286.table aid2286.tbin
2287 1189 Data Source: Johns Hopkins Ion Channel Center BioAssay Type: Confirmatory, Confirmatory Screening, Single Concentration Activity Observed Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening Center PI: Min Li, Ph.D. Assay Provider: Min Li, Ph.D. Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R03 DA027716-01 Grant Proposal PI: Min Li, Ph.D., Johns Hopkins U... aid2287.table aid2287.tbin
2288 336623 MLSCN Grant: 1 R21 NS059478-01 Assay Provider: Qihong Huang, The Wistar Institute NCGC Assay Overview: MicroRNAs (miRNAs) are endogenously encoded small (~20-25 nucleotides), nonprotein-coding RNAs that are involved in post-transcriptional repression of target messenger RNAs (mRNAs) (Le and Hannon, 2004). Estimated to be involved in the regulation of 30% of all protein-coding mRNAs (Filipowicz et al., 2008), miRNAs play a significant role in many biological processes including cellular differe... aid2288.table aid2288.tbin
2289 336623 MLSCN Grant: 1 R21 NS059478-01 Assay Provider: Qihong Huang, The Wistar Institute NCGC Assay Overview: MicroRNAs (miRNAs) are endogenously encoded small (~20-25 nucleotides), nonprotein-coding RNAs that are involved in post-transcriptional repression of target messenger RNAs (mRNAs) (Le and Hannon, 2004). Estimated to be involved in the regulation of 30% of all protein-coding mRNAs (Filipowicz et al., 2008), miRNAs play a significant role in many biological processes including cellular differe... aid2289.table aid2289.tbin
2291 16000 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Ben Cravatt, TSRI Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R01 CA132630 Fast Track Grant Proposal PI: Ben Cravatt, TSRI External Assay ID: PME1_INH_FP_384_1X%INH Maybridge Name: Fluorescence polarization-based Maybridge primary biochemical high throughput screening assay to identify inhibitors o... aid2291.table aid2291.tbin
2292 831 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Paul Lieberman, Wistar Institute Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: I R21 NS063906-01 Grant Proposal PI: Paul Lieberman, Wistar Institute External Assay ID: EBNA1_INH_FP_1536_3X%INH Name: Fluorescence polarization-based biochemical high throughput confirmation assay to ide... aid2292.table aid2292.tbin
2293 1 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Probe Production centers Network [MLPCN] MLPCN Grant: 1R03MH084841-01 Assay Submitter (PI): Wei Zheng NCGC Assay Overview: Alpha-glucosidase is responsible for hydrolysis of terminal, non-reducing 1,4-linked alpha-D-glucose residues with release of alpha-D-glucose. It is a lysosomal hydrolase that is required for the degradation of a small percentage (1-3%) of cellular glycogen in human. Deficiency of this enzyme results in glycogen-s... aid2293.table aid2293.tbin
2294 319 Keywords: Trypanosoma cruzi, Chagas disease Assay Overview: The assay detects intracellular trypanosomes that are replicating inside host cells. NIH3T3 cells are trypsinized, counted, and plated in 384-well tissue culture plates. After plating the NIH3T3 cells, compounds are added to the wells. T. cruzi that are genetically modified to express b-galactosidase are then harvested and active Trypomastigotes form are counted and co-cultured with the NIH3T3 cells. After 90 hours of co-culture, a... aid2294.table aid2294.tbin
2295 36 University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interactions PI: Richard Neubig, Ph.D. Assay Implementation: Yang Wu Ph.D., Mark Haynes Ph.D., Anna Waller Ph.D., Mark Carter MS Target Team Leader for the Center: Larry Sklar, Ph.D., (lsklar@salud.unm.edu) Assay Background and Significance: Regulators of G protein signaling (RGS) proteins are a diverse set of intracellular proteins that modulate G protein-c... aid2295.table aid2295.tbin
2296 36 University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interactions PI: Richard Neubig, Ph.D. Assay Implementation: Yang Wu Ph.D., Mark Haynes Ph.D., Anna Waller Ph.D., Mark Carter MS Target Team Leader for the Center: Larry Sklar, Ph.D., (lsklar@salud.unm.edu) Assay Background and Significance: Regulators of G protein signaling (RGS) proteins are a diverse set of intracellular proteins that modulate G protein-c... aid2296.table aid2296.tbin
2297 13533 Inhibition Frequency Index (IFI) = B/A where B = Number of non-kinase HTS assays (median result per assay and compound) where a compound showed > 50 % inhibition A = Number of non-kinase HTS assays (median result per assay and compound) where a compound was tested for inhibition aid2297.table aid2297.tbin
2298 36 University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interactions PI: Richard Neubig, Ph.D. Assay Implementation: Yang Wu Ph.D., Mark Haynes Ph.D., Anna Waller Ph.D., Mark Carter MS Target Team Leader for the Center: Larry Sklar, Ph.D., (lsklar@salud.unm.edu) Assay Background and Significance: Regulators of G protein signaling (RGS) proteins are a diverse set of intracellular proteins that modulate G protein-c... aid2298.table aid2298.tbin
2299 1 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Benjamin Cravatt, TSRI Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R01 CA087660-05 Fast Track Grant Proposal PI: Benjamin Cravatt, TSRI External Assay ID: RBBP9_INH_PROBES_SUMMARY Ester Oxime Scaffold Name: Summary of probe development efforts to identify inhibitors of Retinoblas... aid2299.table aid2299.tbin
2300 315100 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Konstantin Petrukhin, Columbia University Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R21 NS061718-01 Fast Track Grant Proposal PI: Konstantin Petrukhin, Columbia University External Assay ID: NR2E3_AG_TR-FRET_1536_1X%INH Name: TR-FRET-based primary biochemical high throughput screening assay to id... aid2300.table aid2300.tbin
2301 1 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Probe Production centers Network [MLPCN] MLPCN Grant: X01 MH082413-01 Assay Submitter (PI): Wei Zheng NCGC Assay Overview: Lithium has been widely used for the treatment of bipolar disorder. But lithium has a narrow therapeutic index and it can cause side effects such as thirst, weight gain, tremor, polyuria and memory problems. Although the mechanism for lithium action in treatment of bipolar disorder is still not fully understood, i... aid2301.table aid2301.tbin
2302 13533 This assay uses levels of P. falciparum lactate dehydrogenase as surrogate of parasite growth. Inhibition of Dd2 growth by compounds has been determined in this assay. aid2302.table aid2302.tbin
2303 13533 This assay uses intracellular ATP levels as surrogate of cell viability. aid2303.table aid2303.tbin
2304 13533 Inhibition of 3D7 lactate dehydrogenase (LDH) enzymatic activity by compounds has been determined in this assay. LDH activity has been evaluated in crude parasite extracts. aid2304.table aid2304.tbin
2305 13533 This assay uses levels of P. falciparum lactate dehydrogenase as surrogate of parasite growth. An estimation of potencies of compounds for inhibition of 3D7 growth (XC50) has been determined in this assay. aid2305.table aid2305.tbin
2306 13533 This assay uses levels of P. falciparum lactate dehydrogenase as surrogate of parasite growth. Inhibition of 3D7 growth by compounds has been determined in this assay. aid2306.table aid2306.tbin
2307 36 University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interactions PI: Richard Neubig, Ph.D. Assay Implementation: Yang Wu Ph.D., Mark Haynes Ph.D., Anna Waller Ph.D., Mark Carter MS Target Team Leader for the Center: Larry Sklar, Ph.D., (lsklar@salud.unm.edu) Assay Background and Significance: Regulators of G protein signaling (RGS) proteins are a diverse set of intracellular proteins that modulate G protein-c... aid2307.table aid2307.tbin
2308 65 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Probe Production centers Network [MLPCN] MLPCN Grant: X01 MH082413-01 Assay Submitter (PI): Wei Zheng NCGC Assay Overview: Lithium has been widely used for the treatment of bipolar disorder. But lithium has a narrow therapeutic index and it can cause side effects such as thirst, weight gain, tremor, polyuria and memory problems. Although the mechanism for lithium action in treatment of bipolar disorder is still not fully understood, i... aid2308.table aid2308.tbin
2310 4 Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening Centers Network (MLSCN) Assay Provider: Dr. William E. Severson, Southern Research Institute Award: R03 MH081270-01 Currently, there is no commercially available vaccine to protect humans against the highly pathogenic avian influenza H5N1 virus that is spreading across Asia, Europe, and Africa. Since humans have no immunity against any H5 viruses, th... aid2310.table aid2310.tbin
2311 27 University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interactions PI: Richard Neubig, Ph.D. Assay Implementation: Yang Wu Ph.D., Mark Haynes Ph.D., Anna Waller Ph.D., Mark Carter MS Target Team Leader for the Center: Larry Sklar, Ph.D., (lsklar@salud.unm.edu) Assay Background and Significance: Regulators of G protein signaling (RGS) proteins are a diverse set of intracellular proteins that modulate G protein-c... aid2311.table aid2311.tbin
2313 21753 This data was generated through collaboration with the National Cancer Institute's Initiative for Chemical Genetics Internal Project ID: 2018 Keywords: Sonic Hedgehog Signaling, Inhibition, Reporter Assay Assay: The Hh pathway involves the binding of one of the Hh ligands to its 7-pass trans-membrane receptor, Patched (Ptc, Ptch-1 in mammals), which then releases its inhibitory effect on the pseudo-G-coupled protein receptor Smoothened (Smo). This leads to the liberation of the transcription f... aid2313.table aid2313.tbin
2314 296456 Shiga toxin (Stx) is released by certain strains of E. coli and is associated with food-borne gastroenteritis. In some patients, especially children, the toxin enters the bloodstream and causes hemolytic uremic syndrome, a condition that results in kidney, heart, and occasionally brain injury. The pathogenic effects of Stx arise by the toxin entering cells and inhibiting protein synthesis. To identify inhibitors of Stx activity and transport, a cell-based assay was used that employed luciferase a... aid2314.table aid2314.tbin
2315 293642 Shiga toxin (Stx) is released by certain strains of E. coli and is associated with food-borne gastroenteritis. In some patients, especially children, the toxin enters the bloodstream and causes hemolytic uremic syndrome, a condition that results in kidney, heart, and occasionally brain injury. The pathogenic effects of Stx arise by the toxin entering cells and inhibiting protein synthesis. To identify inhibitors of Stx activity and transport, a cell-based assay was used that employed luciferase a... aid2315.table aid2315.tbin
2316 28799 This data was generated through collaboration with the National Cancer Institute's Initiative for Chemical Genetics. Keywords: T cell, PD-1, cancer, viral infection Assay Overview: We will use primary human CD4 T cells as the cell source because they are more representative of in vivo biology than cell lines. Our screen will be aimed at identifying compounds that can reverse PD-1-mediated inhibition of T cell activation. To recapitulate PD-1 signaling in vitro, we have established a bead-ba... aid2316.table aid2316.tbin
2317 1 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Peter Hodder, TSRI Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R21 NS059451-01 Fast Track Grant Proposal PI: Peter Hodder, TSRI External Assay ID: VIM2-SELECTIVE_INH_PROBES_LATE STAGE PROBE DATA Name: Late stage results from the probe development efforts to identify selective inh... aid2317.table aid2317.tbin
2318 506 Shiga toxin (Stx) is released by certain strains of E. coli and is associated with food-borne gastroenteritis. In some patients, especially children, the toxin enters the bloodstream and causes hemolytic uremic syndrome, a condition that results in kidney, heart, and occasionally brain injury. The pathogenic effects of Stx arise by the toxin entering cells and inhibiting protein synthesis. To identify inhibitors of Stx activity and transport, a cell-based assay was used that employed luciferase a... aid2318.table aid2318.tbin
2320 506 Shiga toxin (Stx) is released by certain strains of E. coli and is associated with food-borne gastroenteritis. In some patients, especially children, the toxin enters the bloodstream and causes hemolytic uremic syndrome, a condition that results in kidney, heart, and occasionally brain injury. The pathogenic effects of Stx arise by the toxin entering cells and inhibiting protein synthesis. To identify inhibitors of Stx activity and transport, a cell-based assay was used that employed luciferase a... aid2320.table aid2320.tbin
2321 9 Data Source: Johns Hopkins Ion Channel Center BioAssay Type: Secondary Screening, Single Concentration Activity Observed Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening Center PI: Min Li, Ph.D. Assay Provider: Dr. Sabina Kupershmidt, Vanderbilt University Medical Center Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1R03MH084820-01 Grant Proposal PI: Dr. ... aid2321.table aid2321.tbin
2322 26840 This data was generated through collaboration with the National Cancer Institute's Initiative for Chemical Genetics. Keywords: STK33, KRAS, RAS, kinase, cancer Assay Overview: The ADP-Glo (Promega) primary screen will be run under conditions that are expected to provide competitive, uncompetitive and non-competitive hits, by screening with an ATP concentration (100uM) that is above the Km (36uM) under the assay conditions. Compounds to be screened at 12.5uM. Expected Outcome: Compounds that re... aid2322.table aid2322.tbin
2323 1279 Source: NIH Chemical Genomics Center [NCGC] Assay Submitter: Roderic Eckenhoff, University of Pennsylvania Screening Center PI: Christopher P. Austin, NIH Probe Development: NIH Chemical Genomics Center [NCGC] NIH Grant Number: MH084836-01 Anesthetic development has remained a largely empirical process. There are growing concerns about the cognitive effects of known general anesthetics [1] and acceleration of the onset of neurodegenerative disease [2]. The compounds' toxicity [3] and multiple s... aid2323.table aid2323.tbin
2326 270314 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Probe Centers Network [MLPCN] MLPCN Grant: MH084878-01A1 Assay Submitter (PI): Daniel Engel Influenza is a world-wide public health problem and emerging forms of the virus have the potential to cause a pandemic of equal or greater magnitude to the outbreaks recorded in 1918, 1957 or 1968. Vaccine development is proceeding and there also exist two classes of anti-influenza compounds. However these therapeutic modalities are neither full... aid2326.table aid2326.tbin
2327 1837 Keywords: Candida albicans, drug resistance, fluconazole, Hsp90, Calcineurin, stress response Primary Collaborators: Susan Lindquist, Whitehead Institute for Biomedical Research, sll@wi.mit.edu Assay Overview: The basic assay strategy will consist of NIH 3T3 mammalian fibroblasts cultured in 384-well format in the presence of a sub-toxic concentration of fluconazole. Test compounds that do not inhibit subsequent growth in the presence of fluconazole will merit further evaluation for their non-t... aid2327.table aid2327.tbin
2328 831 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Paul Lieberman, Wistar Institute Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: I R21 NS063906-01 Grant Proposal PI: Paul Lieberman, Wistar Institute External Assay ID: ZTA_INH_FP_1536_3X%INH EBNA CSRUN Name: Counterscreen for inhibitors of EBNA-1: fluorescence polarization-based bioc... aid2328.table aid2328.tbin
2329 320 Data Source: Johns Hopkins Ion Channel Center BioAssay Type: Specificity Screen, Duplicate, Single Concentration Activity Observed Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening Center PI: Min Li, Ph.D. Assay Provider: Elena Makhina Ph.D., University of Pittsburgh Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R03 DA026212-01 Grant Proposal PI: Elena M... aid2329.table aid2329.tbin
2330 37420 This data was generated through collaboration with the National Cancer Institute's Initiative for Chemical Genetics. Primary Collaborators: Gary Gilliland, Brigham and Women's Hospital, ggilliland@rics.bwh.harvard.edu Keywords: Serine/Threonine Kinase, Cell Titre Glo, Assay Overview:The NOMO-1 cell line is a non-adherent acute myeloid leukemia (AML) cell line. This cell line is KRAS dependent and the serine/threonine kinase 33 (STK33) was identified as being synthetically lethal using an RNAi... aid2330.table aid2330.tbin
2331 462 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Richard Honkanen, University of South Alabama Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R03 MH085702-01A1 Grant Proposal PI: Richard Honkanen, University of South Alabama External Assay ID: PP5_INH_FLINT_1536_3X%INH CRUN Name: Fluorescence-based biochemical high throughput conf... aid2331.table aid2331.tbin
2332 29 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Michael Oldstone, TSRI Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number: U01 AI074564 Fast Track Grant Proposal PI: Michael Oldstone, TSRI External Assay ID: S1P4_ANT_BLA_384_3XIC50 Name: Fluorescence dose response cell-based screening assay for antagonists of the Sphingosine 1-Phosphate R... aid2332.table aid2332.tbin
2333 303 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1 R03 MH084844-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute, San Diego CA The modulation of immune response activity is one of the major goals in the development of novel therapeutics for auto-immune and inflammatory disease... aid2333.table aid2333.tbin
2334 138 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1 R03 MH084844-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute, San Diego CA The modulation of immune response activity is one of the major goals in the development of novel therapeutics for auto-immune and inflammatory diseases... aid2334.table aid2334.tbin
2335 304 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1 R03 MH084844-01 Assay Provider: Dr. John C. Reed, Sanford-Burham Medical Research Institute, San Diego CA The modulation of immune response activity is one of the major goals in the development of novel therapeutics for auto-immune and inflammatory diseases... aid2335.table aid2335.tbin
2337 304 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number: 1 R03 MH084844-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute, San Diego CA Multiple cellular stimuli acting through various pathways lead to NF-kB induction. The assay described below uses tumor necrosis factor alpha (TNFa), a cano... aid2337.table aid2337.tbin
2338 21 Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number: 1X01 DA026205-01 Assay Provider: Dr. Mary Abood, (Temple University, formerly at California Pacific Medical Center Research Institute) Addictive behavior stems from abnormal signaling activities in the brain. Thus identification of compounds blocking this modified signaling activity may lead to... aid2338.table aid2338.tbin
2339 21 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1X01 DA026205-01 Assay Provider: Dr. Mary Abood, Temple University, formerly at California Pacific Medical Center Research Institute Drug addiction is a disease that involves the G-protein coupled receptors in the central nervous system resulting in compulsive... aid2339.table aid2339.tbin
2340 21 Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number: 1X01 DA026205-01 Assay Provider: Dr. Mary Abood, (Temple University, formerly at California Pacific Medical Center Research Institute) Addictive behavior stems from abnormal signaling activities in the brain. Thus identification of compounds blocking this modified signaling activity may lead to... aid2340.table aid2340.tbin
2341 21 Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number: 1X01 DA026205-01 Assay Provider: Dr. Mary Abood, Temple University, formerly at California Pacific Medical Center Research Institute Drug addiction is a disease that involves the G-protein coupled receptors in the central nervous system resulting in compulsive or abnormal behavior. Recent studi... aid2341.table aid2341.tbin
2342 1 Assay Overview: Shiga toxin (Stx) is released by certain strains of E. coli and is associated with food-borne gastroenteritis. In some patients, especially children, the toxin enters the bloodstream and causes hemolytic uremic syndrome, a condition that results in kidney, heart, and occasionally brain injury. The pathogenic effects of Stx arise by the toxin entering cells and inhibiting protein synthesis. To identify inhibitors of Stx activity and transport, a cell-based assay was used that emplo... aid2342.table aid2342.tbin
2343 132 Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Libraries Probe Production Centers Network Grant Number: 1X01DA026208-01 Assay Provider: Dr. Lawrance Barak, Duke University, Durham, NC Drug addiction is a disease that involves the G-protein coupled receptors in the central nervous system resulting in compulsive or abnormal behavior. Recent studies have shown that opioid receptors play a role in reg... aid2343.table aid2343.tbin
2344 132 Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Libraries Probe Production Centers Network Grant Number: 1X01DA026208-01 Assay Provider: Dr. Lawrance Barak, Duke University, Durham, NC Drug addiction is a disease that involves the G-protein coupled receptors in the central nervous system resulting in compulsive or abnormal behavior. Recent studies have shown that opioid receptors play a role in reg... aid2344.table aid2344.tbin
2345 1189 Data Source: Johns Hopkins Ion Channel Center BioAssay Type: Specificity Screening, Single Concentration Activity Observed Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening Center PI: Min Li, Ph.D. Assay Provider: Min Li, Ph.D. Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R03 DA027716-01 Grant Proposal PI: Min Li, Ph.D., Johns Hopkins University Schoo... aid2345.table aid2345.tbin
2346 16 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Michael Oldstone, TSRI Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number: U01 AI074564 Fast Track Grant Proposal PI: Michael Oldstone, TSRI External Assay ID: S1P4_ANT_BLA_384_3XIC50_Synthesized_Analogues Name: Fluorescence dose response cell-based screening assay for antagonists of the Sph... aid2346.table aid2346.tbin
2347 21 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute for(SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1X01 DA026205-01 Assay Provider: Dr. Mary Abood, California Pacific Medical Center Research Institute (currently Temple University) The cannabinoid and endocannabinoid system has been implicated in the pathophysiology of drug dependence and addict... aid2347.table aid2347.tbin
2348 62 Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Libraries Production Centers Network Grant Number: 1X01DA026208-01 Assay Provider: Dr. Lawrance Barak, Duke University, Durham NC Drug addiction is a disease that involves the G-protein coupled receptors in the central nervous system resulting in compulsive or abnormal behavior. Recent studies have shown that opioid receptors play a role in regulatin... aid2348.table aid2348.tbin
2349 21 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Michael Oldstone, TSRI Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number: U01 AI074564 Fast Track Grant Proposal PI: Michael Oldstone, TSRI External Assay ID: S1P3_ANT_BLA_384_3XIC50 Name: Counterscreen assay for S1P4 antagonists: Fluorescence dose response cell-based screening assay for an... aid2349.table aid2349.tbin
2350 21 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Michael Oldstone, TSRI Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number: U01 AI074564 Fast Track Grant Proposal PI: Michael Oldstone, TSRI External Assay ID: S1P5_ANT_BLA_384_3XIC50 Name: Counterscreen assay for S1P4 antagonists: Fluorescence dose response cell-based screening assay for an... aid2350.table aid2350.tbin
2351 21 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Michael Oldstone, TSRI Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number: U01 AI074564 Fast Track Grant Proposal PI: Michael Oldstone, TSRI External Assay ID: S1P1_ANT_BLA_384_3XIC50 Name: Counterscreen assay for S1P4 antagonists: Fluorescence dose response cell-based screening assay for an... aid2351.table aid2351.tbin
2352 62 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network(MLPCN) Grant Number: 1X01DA026208-01 Assay Provider: Dr. Lawrance Barak, Duke University, Durham NC Drug addiction is a disease that involves the G-protein coupled receptors in the central nervous system resulting in compulsive or abnormal behavior. Recent studies have shown that opioid... aid2352.table aid2352.tbin
2353 1279 Survival of cells and the faithful propagation of the genome depend on elaborate mechanisms of detecting and repairing DNA damage. Treatment of advanced cancer relies on radiation therapy or chemotherapy, which kill cancer cells by causing extensive DNA damage. It is often found, that cancer cells develop resistance to therapy through enhanced activity of DNA repair functions; this has led to an increased interest in developing drugs that interfere with DNA repair, which could sensitize cancer ce... aid2353.table aid2353.tbin
2354 21 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Michael Oldstone, TSRI Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number: U01 AI074564 Fast Track Grant Proposal PI: Michael Oldstone, TSRI External Assay ID: S1P2_ANT_BLA_384_3XIC50 Name: Counterscreen assay for S1P4 antagonists: Fluorescence dose response cell-based screening assay for an... aid2354.table aid2354.tbin
2355 462 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Richard Honkanen, University of South Alabama Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R03 MH085702-01A1 Grant Proposal PI: Richard Honkanen, University of South Alabama External Assay ID: PP1_INH_FLINT_1536_3X%INH PP5 CSRUN Name: Counterscreen for inhibitors of PP5: fluoresce... aid2355.table aid2355.tbin
2356 132 Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Libraries Probe Production Centers Network Grant Number: 1X01DA026208-01 Assay Provider: Dr. Lawrance Barak, Duke University, Durham, NC Drug addiction is a disease that involves the G-protein coupled receptors in the central nervous system resulting in compulsive or abnormal behavior. Recent studies have shown that opioid receptors play a role in reg... aid2356.table aid2356.tbin
2357 62 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network(MLPCN) Grant Number: 1X01DA026208-01 Assay Provider: Dr. Lawrance Barak, Duke University, Durham NC Drug addiction is a disease that involves the G-protein coupled receptors in the central nervous system resulting in compulsive or abnormal behavior. Recent studies have shown that opioid... aid2357.table aid2357.tbin
2358 1944 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Richard Honkanen, University of South Alabama Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R03 MH085702-01A1 Grant Proposal PI: Richard Honkanen, University of South Alabama External Assay ID: PP1_INH_FLINT_1536_3X%INH CRUN Name: Fluorescence-based biochemical high throughput conf... aid2358.table aid2358.tbin
2359 62 Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Libraries Production Centers Network Grant Number: 1X01DA026208-01 Assay Provider: Dr. Lawrance Barak, Duke University, Durham NC Drug addiction is a disease that involves the G-protein coupled receptors in the central nervous system resulting in compulsive or abnormal behavior. Recent studies have shown that opioid receptors play a role in regulatin... aid2359.table aid2359.tbin
2360 1944 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Richard Honkanen, University of South Alabama Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R03 MH085702-01A1 Grant Proposal PI: Richard Honkanen, University of South Alabama External Assay ID: PP5_INH_FLINT_1536_3X%INH PP1 CSRUN Name: Counterscreen for inhibitors of PP1: fluoresce... aid2360.table aid2360.tbin
2361 321 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Paul Lieberman, Wistar Institute Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: I R21 NS063906-01 Grant Proposal PI: Paul Lieberman, Wistar Institute External Assay ID: ZTA_INH_FP_1536_3X%INH CRUN Name: Fluorescence polarization-based biochemical high throughput confirmation assay for... aid2361.table aid2361.tbin
2362 321 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Paul Lieberman, Wistar Institute Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: I R21 NS063906-01 Grant Proposal PI: Paul Lieberman, Wistar Institute External Assay ID: EBNA1_INH_FP_1536_3X%INH ZTA CSRUN Name: Counterscreen for inhibitors of ZTA: fluorescence polarization-based bioche... aid2362.table aid2362.tbin
2363 2 Data Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Benjamin Cravatt, TSRI Network: Molecular Libraries Probe Production Center Network (MLPCN) Grant Proposal Number: 1 2 R01 CA087660-05 Fast Track Grant Proposal PI: Benjamin Cravatt, TSRI External Assay ID: PME-1_INH_CL_GEL_Demethylation Name: Late stage results from the probe development effort to identify inhibitors of the ... aid2363.table aid2363.tbin
2364 1280 Survival of cells and the faithful propagation of the genome depend on elaborate mechanisms of detecting and repairing DNA damage. Treatment of advanced cancer relies on radiation therapy or chemotherapy, which kill cancer cells by causing extensive DNA damage. It is often found, that cancer cells develop resistance to therapy through enhanced activity of DNA repair functions; this has led to an increased interest in developing drugs that interfere with DNA repair, which could sensitize cancer ce... aid2364.table aid2364.tbin
2365 2 Data Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Benjamin Cravatt, TSRI Network: Molecular Libraries Probe Production Center Network (MLPCN) Grant Proposal Number: 1 2 R01 CA087660-05 Fast Track Grant Proposal PI: Benjamin Cravatt, TSRI External Assay ID: HEK 293T VIABILITY_INH_LUMI_96_CC50 Name: Late stage results from the probe development effort to identify inhibitors of... aid2365.table aid2365.tbin
2366 26 Data Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Benjamin Cravatt, TSRI Network: Molecular Libraries Probe Production Center Network (MLPCN) Grant Proposal Number: 1 2 R01 CA087660-05 Fast Track Grant Proposal PI: Benjamin Cravatt, TSRI External Assay ID: PME-1_INH_FP_GEL_3XIC50 Name: Late stage results from the probe development effort to identify inhibitors of the protein... aid2366.table aid2366.tbin
2368 2 Data Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Benjamin Cravatt, TSRI Network: Molecular Libraries Probe Production Center Network (MLPCN) Grant Proposal Number: 1 2 R01 CA087660-05 Fast Track Grant Proposal PI: Benjamin Cravatt, TSRI External Assay ID: PME-1_INH_FP_GEL_FILTRATION Name: Late stage results from the probe development effort to identify inhibitors of the pro... aid2368.table aid2368.tbin
2369 23 Data Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Benjamin Cravatt, TSRI Network: Molecular Libraries Probe Production Center Network (MLPCN) Grant Proposal Number: 1 2 R01 CA087660-05 Fast Track Grant Proposal PI: Benjamin Cravatt, TSRI External Assay ID: PME-1_INH_FP_GEL_%INH Name: Late stage results from the probe development effort to identify inhibitors of the protein m... aid2369.table aid2369.tbin
2370 62 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network(MLPCN) Grant Number: 1X01DA026208-01 Assay Provider: Dr. Lawrance Barak, Duke University, Durham NC Drug addiction is a disease that involves the G-protein coupled receptors in the central nervous system resulting in compulsive or abnormal behavior. Recent studies have shown that opioid... aid2370.table aid2370.tbin
2371 6 Data Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Benjamin Cravatt, TSRI Network: Molecular Libraries Probe Production Center Network (MLPCN) Grant Proposal Number: 1 2 R01 CA087660-05 Fast Track Grant Proposal PI: Benjamin Cravatt, TSRI External Assay ID: PME-1_INH_FP_GEL_3XIC50_Purified enzyme Name: Late stage results from the probe development effort to identify inhibitor... aid2371.table aid2371.tbin
2372 1 University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Ph.D., Anna Waller, Ph.D. Chemistry: University of Kansas Specialized Chemistry Center KU Specialized Chemistry Center PI: Jeff Aube, Ph.D. KU SCC Project Manager: Jennifer E. Golden. Ph.D. KU SCC... aid2372.table aid2372.tbin
2373 1 University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Ph.D., Anna Waller, Ph.D. Chemistry: University of Kansas Specialized Chemistry Center KU Specialized Chemistry Center PI: Jeff Aube, Ph.D. KU SCC Project Manager: Jennifer E. Golden. Ph.D. KU SCC... aid2373.table aid2373.tbin
2374 1 University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Ph.D., Anna Waller, Ph.D. Chemistry: University of Kansas Specialized Chemistry Center KU Specialized Chemistry Center PI: Jeff Aube, Ph.D. KU SCC Project Manager: Jennifer E. Golden. Ph.D. KU SCC... aid2374.table aid2374.tbin
2375 7 University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Elsa Romero, Anna Waller Chemistry: University of Kansas Specialized Chemistry Center KU Specialized Chemistry Center PI: Jeff Aube, Ph.D. KU SCC Project Manager: Jennifer E. Golden. Ph.D. KU SCC Chemists on this p... aid2375.table aid2375.tbin
2376 1 University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) UNM Cheminformatics: Cristian Bologa, Ph.D., Fabiola Miscioscia, Ph.D., Ram... aid2376.table aid2376.tbin
2377 127 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Paul Lieberman, Wistar Institute Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: I R21 NS063906-01 Grant Proposal PI: Paul Lieberman, Wistar Institute External Assay ID: ZTA_INH_FP_1536_3XIC50 EBNA DRUN CS Name: Counterscreen for inhibitors of EBNA-1: fluorescence polarization-based bi... aid2377.table aid2377.tbin
2378 1 University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Ph.D., Anna Waller, Ph.D. Chemistry: University of Kansas Specialized Chemistry Center KU Specialized Chemistry Center PI: Jeff Aube, Ph.D. KU SCC Project Manager: Jennifer E. Golden. Ph.D. KU SCC... aid2378.table aid2378.tbin
2379 363 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Konstantin Petrukhin, Columbia University Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R21 NS061718-01 Fast Track Grant Proposal PI: Konstantin Petrukhin, Columbia University External Assay ID: NR2E3_AG_TR-FRET_1536_3X%INH Name: TR-FRET-based biochemical high throughput confirmation assay for agonis... aid2379.table aid2379.tbin
2380 330480 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number: 1R21NS057001-01 Assay Provider: Dr. Fred Levine, Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Identifying compounds from HTS that may affect b-cell replication has a potential to increase our understanding of the fundamental processes regulation... aid2380.table aid2380.tbin
2381 127 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Paul Lieberman, Wistar Institute Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: I R21 NS063906-01 Grant Proposal PI: Paul Lieberman, Wistar Institute External Assay ID: EBNA1_INH_FP_1536_3XIC50 Name: Fluorescence polarization-based biochemical high throughput dose response assay for i... aid2381.table aid2381.tbin
2382 2448 Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly luciferase under the control of a HSF-1 response element, will be exposed to small molecules. After 30min exposure to small molecules, proteasome inhibitor MG132 is added to elicit a stress response. After 8hr incubation in the presence of this stressor, the amount of HSF-1 mediated luciferase expression is measured using a luminescence detection re... aid2382.table aid2382.tbin
2384 2302 Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Probe Centers Network (MLPCN) Assay Provider: Dr. Jason Harris, Massachusetts General Hospital Assay Rationale and Summary: Salmonella is a genus of rod-shaped Gram-negative enterobacteria that causes typhoid fever, paratyphoid fever, and foodborne illness. Salmonella enterica, serovar Typhimurium, is a leading cause of human gastroenteritis (acute i... aid2384.table aid2384.tbin
2387 344 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, stress response Primary Collaborators: Susan Lindquist, Whitehead Institute for Biomedical Research, sll@wi.mit.edu Assay Overview: The basic assay strategy will consist of NIH 3T3 mammalian fibroblasts cultured in 384-well format in the presence of a sub-toxic concentration of Fluconazole. Test compounds that do not inhibit subsequent growth in the presence of Fluconazole will merit further evaluation for their non-t... aid2387.table aid2387.tbin
2388 344 Keywords: Candida albicans, drug resistance, Fluconazole, calcineurin, stress response Assay Overview: Method for determining if compound acts as Calcineurin inhibitor. S cerevisiae expressing beta-galactosidase driven by 4 tandem copies of the calcineurin-dependent response element (CDRE) is exposed to compounds followed by challenge with CaCl2 stressor. Potential inhibition of calcineurin function will be evaluated by loss of signal. Expected Outcome: Reduction of signal indicates calcineuri... aid2388.table aid2388.tbin
2389 6 NIH Chemical Genomics Center [NCGC] MLSCN Grant: 1 X01 MH078950-01 PI Name: Dr. James Wells, Dr. Enrique Perez-Paya, Dr.Janice Williams, Dr. Dennis Wolan, Mr. Brandon Butler BioAssay Type: Summary, Candidate Probes/Leads with Supporting Evidence NCGC Assay Overview: The caspases (Cysteine Aspartyl Protease) comprise a related family of 14 dimeric proteases that are critical mediators of apoptosis (programmed cell death) and inflammation. The caspases represent an important class of drug targe... aid2389.table aid2389.tbin
2390 112 G-protein-coupled receptors (GPCRs) are major targets for drug discovery. The regulator of G-protein signaling (RGS)-protein family has important roles in GPCR signal transduction. RGS proteins contain a conserved RGS-box, which is often accompanied by other signaling regulatory elements. RGS proteins accelerate the deactivation of G proteins to reduce GPCR signaling; however, some also have an effector function and transmit signals. Combining GPCR agonists with RGS inhibitors should potentiate r... aid2390.table aid2390.tbin
2391 313816 Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Probe Centers Network (MLPCN) Assay Provider: Dr. William Severson, Southern Research Institute Grant number: 1 R03 MH082403-01A1 Assay Rationale and Summary: Currently, there are no commercially available vaccines to protect humans against Respiratory syncytial virus (RSV). RSV is associated with substantial morbidity and mortality and is the most... aid2391.table aid2391.tbin
2393 32 University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Ph.D., Anna Waller, Ph.D. Chemistry: University of Kansas Specialized Chemistry Center KU Specialized Chemistry Center PI: Jeff Aube, Ph.D. KU SCC Project Manager: Jennifer E. Golden. Ph.D. KU SCC... aid2393.table aid2393.tbin
2394 60 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Richard Honkanen, University of South Alabama Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R03 MH085702-01A1 Grant Proposal PI: Richard Honkanen, University of South Alabama External Assay ID: PP1_INH_FLINT_1536_3XIC50 PP5 DRUN Counterscreen Name: Counterscreen for inhibitors of P... aid2394.table aid2394.tbin
2395 60 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Richard Honkanen, University of South Alabama Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R03 MH085702-01A1 Grant Proposal PI: Richard Honkanen, University of South Alabama External Assay ID: PP5_INH_FLINT_1536_3X%IC50 DRUN Name: Fluorescence-based biochemical high throughput dos... aid2395.table aid2395.tbin
2396 27 Keywords: Trypanosoma cruzi, Chagas disease Assay Overview: The assay detects intracellular trypanosomes that are replicating inside host cells. NIH3T3 cells are trypsinized, counted, and plated in 384-well tissue culture plates. After plating the NIH3T3 cells, compounds are added to the wells. T. cruzi that are genetically modified to express b-galactosidase are then harvested and active Trypomastigotes form are counted and co-cultured with the NIH3T3 cells. After 90 hours of co-culture, a... aid2396.table aid2396.tbin
2397 60 Data Source: Sanford-Burnham Center for Chemical Genomics(SSBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1X01 MH085708-01 Assay Provider: Dr. Lawrence Barak, Duke University, Durham, NC Addictive behavior stems from abnormal signaling activities in the brain. Thus identification of compounds blocking this modified signaling activity may lead to treatments for ad... aid2397.table aid2397.tbin
2398 10 Keywords: Platelet, activation, granule, secretion, arterial thrombosis, PAR1, SFLLRN, thrombin receptor Assay Overview: Dense granule release of platelet-rich plasma (PRP) retest at dose. Expired units of PRP obtained from a blood-distribution center were plated in 384-well white assay plates (Aurora, 00030721) on average of 15,600,000 platelets/well in 20ul. PRP was exposed to a subset of the positive compounds from AID 1889, which were selected for high inhibitory activity in the assay, no ... aid2398.table aid2398.tbin
2400 344 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, stress response Assay Overview: Method for determining if compound acts as Hsp90 inhibitor. Saccharomyces strain expressing B-galactosidase driven by glucocorticoid response element is exposed to compounds. Loss of signal indicates interference with hsp90 function. Expected Outcome: Reduction of signal indicates hsp90 inhibition by compound. aid2400.table aid2400.tbin
2401 2237 Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Probe Centers Network (MLPCN) Assay Provider: Dr. Jason Harris, Massachusetts General Hospital Grant number: 1R21-NS059429-01 Assay Rationale and Summary: Salmonella is a genus of rod-shaped Gram-negative enterobacteria that causes typhoid fever, paratyphoid fever, and foodborne illness. Salmonella enterica, serovar typhimurium, is a leading cause of... aid2401.table aid2401.tbin
2402 68 Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Probe Production Centers Network (MLPCN) Assay Provider: Dr. Marintha Heil, Southern Research Institute Award: 1R03 MH084847-01 This functional assay was developed for detection of compounds inhibiting Vero E6 cells viability as a secondary screen to the West Nile Virus anti-viral assay. In addition to profiling potential lead compounds for cytotoxici... aid2402.table aid2402.tbin
2403 67 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Richard Honkanen, University of South Alabama Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R03 MH085702-01A1 Grant Proposal PI: Richard Honkanen, University of South Alabama External Assay ID: PP1_INH_FLINT_1536_3XIC50 DRUN Name: Fluorescence-based biochemical high throughput dose... aid2403.table aid2403.tbin
2404 1 Data Source: Johns Hopkins Ion Channel Center BioAssay Type: Electrophysiology, Patch Clamp, Orthogonal Assay, Specificity Screen, Multiple Concentration Activity in Multiplicates Observed Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening Center PI: Min Li, Ph.D. Assay Provider: Elena Makhina Ph.D., University of Pittsburgh Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Pro... aid2404.table aid2404.tbin
2405 83 Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Probe Production Centers Network (MLPCN) Assay Provider: Dr. Marintha Heil, Southern Research Institute Award: 1R03 MH084847-01 Assay Rationale and Summary: This functional assay was developed for detection of compounds inhibiting the replication of Respiratory syncytial virus (RSV). The assay measures CPE induced in HEp-2 cells by RSV infection stra... aid2405.table aid2405.tbin
2407 3 Eicosanoids are arachidonic acid derivatives that comprise distinct functional classes like prostaglandins (PGs), lipoxins and leukotrienes, and these bioactive fatty acids control a multitude of physiological functions including inflammation and differentiation. Dysregulation of the enzymes responsible for the generation and metabolism of active prostaglandins and lipoxins contributes to malignant transformation and progression in a variety of cancer types, such as breast, colon, lung and bladde... aid2407.table aid2407.tbin
2408 1 Data Source: Johns Hopkins Ion Channel Center BioAssay Type: Mode of Action, Electrophysiology Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening Center PI: Min Li, Ph.D. Assay Provider: Min Li, Ph.D. Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R03 DA027716-01 Grant Proposal PI: Min Li, Ph.D., Johns Hopkins University School of Medicine Assay Implement... aid2408.table aid2408.tbin
2409 68 Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Probe Production Centers Network (MLPCN) Assay Provider: Dr. Marintha Heil, Southern Research Institute Award: 1R03 MH084847-01 This functional assay was developed for detection of compounds inhibiting the replication of Venezuelan Equine Encephalitis virus(VEEV), strain V3526-luc. The virus expresses a functional luciferase while it is actively repli... aid2409.table aid2409.tbin
2410 2465 Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Probe Centers Network (MLPCN) Assay Provider: Dr. William Severson, Southern Research Institute Grant number: 1 R03 MH082403-01A1 Assay Rationale and Summary: Currently, there are no commercially available vaccines to protect humans against Respiratory syncytial virus (RSV). RSV is associated with substantial morbidity and mortality and is the most... aid2410.table aid2410.tbin
2414 68 Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Probe Production Centers Network (MLPCN) Assay Provider: Dr. Marintha Heil, Southern Research Institute Award: 1R03 MH084847-01 This functional assay was developed for detection of compounds inhibiting Vero 76 cell viability as a secondary screen to the Venezuelan Equine Encephalitis Virus (VEEV) anti-viral assay. Compounds with cytotoxicity can be s... aid2414.table aid2414.tbin
2415 1 Data Source: Johns Hopkins Ion Channel Center BioAssay Type: Mode of Action, Electrophysiology Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening Center PI: Min Li, Ph.D. Assay Provider: Min Li, Ph.D. Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R03 DA027716-01 Grant Proposal PI: Min Li, Ph.D., Johns Hopkins University School of Medicine Assay Implement... aid2415.table aid2415.tbin
2417 139740 High Content Assay for Compounds that inhibit the Assembly of the Perinucleolar Compartment NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Probe Centers Network [MLPCN] MLPCN Grant: MH082371-01A2 Assay Submitter (PI): Sui Huang, Northwestern University, Feinberg School of Medicine, Cell and Molecular Biology, Chicago, Illinois. The perinucleolar compartment (PNC) is a non-membrane-bound nuclear subdomain that is associated with but structurally distinct from the nucleolus. The PNC... aid2417.table aid2417.tbin
2418 3 University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Genevieve Philips, B.S., Zurab Surviladze, Ph.D., Anna Waller, Ph.D. Chemistry: University of Kansas Specialized Chemistry Center KU Specialized Chemistry Center PI: Jeff Aube, Ph.D. KU SCC Project Manager: Jennife... aid2418.table aid2418.tbin
2419 27 Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Probe Production Centers Network (MLPCN) Assay Provider: Dr. Marintha Heil, Southern Research Institute Award: 1R03 MH084847-01 West Nile virus (WNV) is a mosquito borne infectious agent that causes febrile illness and occasionally encephalitis. Outbreaks had been reported in Africa, Asia, and Europe since 1937. In 1999, the first case of WNV was de... aid2419.table aid2419.tbin
2420 62 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network(MLPCN) Grant Number: 1X01DA026208-01 Assay Provider: Dr. Lawrance Barak, Duke University, Durham NC Drug addiction is a disease that involves the G-protein coupled receptors in the central nervous system resulting in compulsive or abnormal behavior. Recent studies have shown that opioid... aid2420.table aid2420.tbin
2422 67 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Richard Honkanen, University of South Alabama Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R03 MH085702-01A1 Grant Proposal PI: Richard Honkanen, University of South Alabama External Assay ID: PP5_INH_FLINT_1536_3XIC50 PP1 DRUN Counterscreen Name: Counterscreen for inhibitors of P... aid2422.table aid2422.tbin
2423 1838 Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, stress response Primary Collaborators: Susan Lindquist, Whitehead Institute for Biomedical Research, sll@wi.mit.edu Assay Overview: The basic assay strategy will consist of highly Fuconazole-resistant C. albicans clinical isolate cultured in 384-well format in the presence of a sub-toxic concentration of Fluconazole. Test compounds that inhibit s... aid2423.table aid2423.tbin
2425 12 Selective M1 activation is an attractive therapeutic approach for the treatment of cognitive impairment, Alzheimer's disease, schizophrenia and a number of other CNS disorders. Until recently, no highly selective M1 activators existed, and those that claimed to be highly M1 selective were either not centrally penetrant or possessed significant ancillary pharmacology which prohibited their use as probes to study M1 receptor function. We have identified that different M1 PAM chemotypes display dif... aid2425.table aid2425.tbin
2426 2267 Data Source: Johns Hopkins Ion Channel Center BioAssay Type: Primary, Primary Screening, Confirmatory Single Concentration Activity Observed Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening Center PI: Min Li, Ph.D. Assay Provider: Michael Zhu, Ph.D., Ohio State University Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R21 NS056942-01 Grant Proposal PI: Mi... aid2426.table aid2426.tbin
2427 42 Assay Overview: Human 15-Hydroxyprostaglandin dehydrogenase (HPGD) catalyzes the inactivation of prostaglandin E2, and plays a major role in cancer biology by antagonizing the oncogenic potential of cyclooxygenase type 2 (COX2). Studies to assess the stability of human 15-PGDH in presence of compounds was performed as described (Niesen et al., 2007) with variations. References 1. Myung SJ, Rerko RM, Yan M, Platzer P, Guda K, Dotson A, Lawrence E, Dannenberg AJ, Lovgren AK, Luo G, Pretlow TP, ... aid2427.table aid2427.tbin
2428 9 Selective M1 activation is an attractive therapeutic approach for the treatment of cognitive impairment, Alzheimer's disease, schizophrenia and a number of other CNS disorders. Until recently, no highly selective M1 activators existed, and those that claimed to be highly M1 selective were either not centrally penetrant or possessed significant ancillary pharmacology which prohibited their use as probes to study M1 receptor function. We have identified that different M1 PAM chemotypes display dif... aid2428.table aid2428.tbin
2429 89 Assay Overview: Human 15-Hydroxyprostaglandin dehydrogenase (HPGD) catalyzes the inactivation of prostaglandin E2, and plays a major role in cancer biology by antagonizing the oncogenic potential of cyclooxygenase type 2 (COX2). Assays are available, based on absorbance/fluorescence increase of NADH with the substrate 15-OH prostaglandin E2. Inhibition of HPGD activity was screened by utilizing prostaglandin as an electron donor and NAD+ as an electron acceptor/cofactor. An increase in the flu... aid2429.table aid2429.tbin
2430 4 Selective M1 activation is an attractive therapeutic approach for the treatment of cognitive impairment, Alzheimer's disease, schizophrenia and a number of other CNS disorders. Until recently, no highly selective M1 activators existed, and those that claimed to be highly M1 selective were either not centrally penetrant or possessed significant ancillary pharmacology which prohibited their use as probes to study M1 receptor function. We have identified that different M1 PAM chemotypes display dif... aid2430.table aid2430.tbin
2432 1 Data Source: Johns Hopkins Ion Channel Center BioAssay Type: Mode of Action, Electrophysiology Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening Center PI: Min Li, Ph.D. Assay Provider: Min Li, Ph.D. Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R03 DA027716-01 Grant Proposal PI: Min Li, Ph.D., Johns Hopkins University School of Medicine Assay Implement... aid2432.table aid2432.tbin
2433 3 Selective M1 activation is an attractive therapeutic approach for the treatment of cognitive impairment, Alzheimer's disease, schizophrenia and a number of other CNS disorders. Until recently, no highly selective M1 activators existed, and those that claimed to be highly M1 selective were either not centrally penetrant or possessed significant ancillary pharmacology which prohibited their use as probes to study M1 receptor function. We have identified that different M1 PAM chemotypes display dif... aid2433.table aid2433.tbin
2434 5 Selective M1 activation is an attractive therapeutic approach for the treatment of cognitive impairment, Alzheimer's disease, schizophrenia and a number of other CNS disorders. Until recently, no highly selective M1 activators existed, and those that claimed to be highly M1 selective were either not centrally penetrant or possessed significant ancillary pharmacology which prohibited their use as probes to study M1 receptor function. We have identified that different M1 PAM chemotypes display dif... aid2434.table aid2434.tbin
2435 324858 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Michael Jarstfer, University of North Carolina at Chapel Hill (UNC) Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R03 MH085678-01A1 Grant Proposal PI: Michael Jarstfer, UNC External Assay ID: OTR_AG_FLUO8_1X%INH Name: Fluorescence-based primary cell-based high throughput screening ... aid2435.table aid2435.tbin
2437 1 Assigned Assay Grant Number: NS053536-01 Screening Center Name & PI: Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters, C. David Weaver Chemistry Center Name & PI: Vanderbilt Specialized Chemistry Center for Accelerated Probe Development, Craig W. Lindsley Assay Submitter & Institution: Colleen M. Niswender, Vanderbilt University The primary pathophysiological change giving rise to the symptoms of Parkinson's disease (PD) is a loss of the dopaminergic neurons in the substanti... aid2437.table aid2437.tbin
2438 5 Selective M1 activation is an attractive therapeutic approach for the treatment of cognitive impairment, Alzheimer's disease, schizophrenia and a number of other CNS disorders. Until recently, no highly selective M1 activators existed, and those that claimed to be highly M1 selective were either not centrally penetrant or possessed significant ancillary pharmacology which prohibited their use as probes to study M1 receptor function. We have identified that different M1 PAM chemotypes display dif... aid2438.table aid2438.tbin
2441 26 Understanding cell cycle regulation is a critical component in combating various diseases such as cancer. Proper execution of cell cycle activity is essential for processes such as cell growth, DNA replication, and mitosis and surveillance mechanisms function as cell cycle checkpoints at the G1, S, and G2/M phases. Thus, profiling agents which disrupt cancer cell division represents a large effort in oncology-based studies. Compound-induced cell cycle perturbations can be analyzed through changes... aid2441.table aid2441.tbin
2442 41 Broad Institute MLPCN Alpha-Synuclein 5'UTR Project Project ID: 2023 Keywords: alpha-synuclein, Parkinson's disease, translation, RNA stem-loop, 5'-untranslated region Primary Collaborators: Jack T. Rogers, Mass General Hospital, jtrogers@rics.bwh.harvard.edu, 617-726-8838, Charlestown, MA Project Overview: The goal of this project is to identify novel small molecule probes that increase alpha-synuclein translational expression in dopaminergic neurons by targeting the 5'-untranslated region ... aid2442.table aid2442.tbin
2443 1 Data Source: Johns Hopkins Ion Channel Center BioAssay Type: Mode of Action, Electrophysiology Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening Center PI: Min Li, Ph.D. Assay Provider: Min Li, Ph.D. Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R03 DA027716-01 Grant Proposal PI: Min Li, Ph.D., Johns Hopkins University School of Medicine Assay Implement... aid2443.table aid2443.tbin
2444 30 NIH Molecular Libraries Probe Production Network [MLPCN] NIH Chemical Genomics Center [NCGC] MLPCN Grant: DK058080 Assay Provider: R. Kip Guy, St. Jude Children's Research Hospital NCGC Assay Overview: Thyroid receptor (TR) regulates many homeostatic processes including basal metabolism, cardiovascular function, body weight, and lipid trafficking. TR modulators are potential therapeutics for obesity and hyperlipidemias but current thyroid analogs have undesirable side effects, particularly car... aid2444.table aid2444.tbin
2445 324858 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Michael Jarstfer, University of North Carolina at Chapel Hill (UNC) Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R03 MH085678-01A1 Grant Proposal PI: Michael Jarstfer, UNC External Assay ID: OTR_POT_FLUO8_1536_1X%ACT PRUNS Name: Fluorescence-based primary cell-based high throughpu... aid2445.table aid2445.tbin
2446 41 Broad Institute MLPCN Alpha-Synuclein 5'UTR Project Project ID: 2023 Keywords: alpha-synuclein, Parkinson's disease, translation, RNA stem-loop, 5'-untranslated region Primary Collaborators: Jack T. Rogers, Massachusetts General Hospital, jtrogers@rics.bwh.harvard.edu, 617-726-8838, Charlestown, MA Project Overview: The goal of this project is to identify novel small molecule probes that increase alpha-synuclein translational expression in dopaminergic neurons by targeting the 5'-untranslat... aid2446.table aid2446.tbin
2447 42 NIH Molecular Libraries Probe Production Network [MLPCN] NIH Chemical Genomics Center [NCGC] MLPCN Grant: DK058080 Assay Provider: R. Kip Guy, St. Jude Children's Research Hospital NCGC Assay Overview: Thyroid receptor (TR) regulates many homeostatic processes including basal metabolism, cardiovascular function, body weight, and lipid trafficking. TR modulators are potential therapeutics for obesity and hyperlipidemias but current thyroid analogs have undesirable side effects, particularly car... aid2447.table aid2447.tbin
2448 25 NIH Molecular Libraries Probe Production Network [MLPCN] NIH Chemical Genomics Center [NCGC] MLPCN Grant: DK058080 Assay Provider: R. Kip Guy, St. Jude Children's Research Hospital NCGC Assay Overview: Thyroid receptor (TR) regulates many homeostatic processes including basal metabolism, cardiovascular function, body weight, and lipid trafficking. TR modulators are potential therapeutics for obesity and hyperlipidemias but current thyroid analogs have undesirable side effects, particularly car... aid2448.table aid2448.tbin
2449 25 NIH Molecular Libraries Probe Production Network [MLPCN] NIH Chemical Genomics Center [NCGC] MLPCN Grant: DK058080 Assay Provider: R. Kip Guy, St. Jude Children's Research Hospital NCGC Assay Overview: Thyroid receptor (TR) regulates many homeostatic processes including basal metabolism, cardiovascular function, body weight, and lipid trafficking. TR modulators are potential therapeutics for obesity and hyperlipidemias but current thyroid analogs have undesirable side effects, particularly car... aid2449.table aid2449.tbin
2450 235 Broad Institute MLPCN Alpha-Synuclein 5'UTR Project Project ID: 2023 Keywords: alpha-synuclein, Parkinson's disease, translation, RNA stem-loop, 5'-untranslated region Primary Collaborators: Jack T. Rogers, Mass General Hospital, jtrogers@rics.bwh.harvard.edu, 617-726-8838, Charlestown, MA Project Overview: The goal of this project is to identify novel small molecule probes that increase alpha-synuclein translational expression in dopaminergic neurons by targeting the 5'-untranslated region ... aid2450.table aid2450.tbin
2451 291269 MLPCN Grant: MH085699-01 Assay Provider: Osnat Herzberg, University of Maryland NCGC Assay Overview: The objective of this project is to obtain compounds that inhibit Giardia lamblia growth. G. lamblia is a human pathogen which afflicts impoverished nations; it is the most common cause of outbreaks of diarrhea in the United States. During the course of our study of potential drug targets in Giardia, we have identified the Class II (Zn2+ functions in electrophilic catalysis) fructose-1,6-bispho... aid2451.table aid2451.tbin
2452 184 Broad Institute MLPCN Alpha-Synuclein 5'UTR Project Project ID: 2023 Keywords: alpha-synuclein, Parkinson's disease, translation, RNA stem-loop, 5'-untranslated region Primary Collaborators: Jack T. Rogers, Massachusetts General Hospital, jtrogers@rics.bwh.harvard.edu, 617-726-8838, Charlestown, MA Project Overview: The goal of this project is to identify novel small molecule probes that inhibit alpha-synuclein translational expression in dopaminergic neurons by targeting the 5'-untranslated ... aid2452.table aid2452.tbin
2453 41 Broad Institute MLPCN Alpha-Synuclein 5'UTR Project Project ID: 2023 Keywords: alpha-synuclein, Parkinson's disease, translation, RNA stem-loop, 5'-untranslated region Primary Collaborators: Jack T. Rogers, Massachusetts General Hospital, jtrogers@rics.bwh.harvard.edu, 617-726-8838, Charlestown, MA Project Overview: The goal of this project is to identify novel small molecule probes that increase alpha-synuclein translational expression in dopaminergic neurons by targeting the 5'-untranslat... aid2453.table aid2453.tbin
2454 184 Broad Institute MLPCN Alpha-Synuclein 5'UTR Project Project ID: 2023 Keywords: alpha-synuclein, Parkinson's disease, translation, RNA stem-loop, 5'-untranslated region Primary Collaborators: Jack T. Rogers, Massachusetts General Hospital, jtrogers@rics.bwh.harvard.edu, 617-726-8838, Charlestown, MA Project Overview: The goal of this project is to identify novel small molecule probes that inhibit alpha-synuclein translational expression in dopaminergic neurons by targeting the 5'-untranslate... aid2454.table aid2454.tbin
2455 25 NIH Molecular Libraries Probe Production Network [MLPCN] NIH Chemical Genomics Center [NCGC] MLPCN Grant: DK058080 Assay Provider: R. Kip Guy, St. Jude Children's Research Hospital NCGC Assay Overview: Thyroid receptor (TR) regulates many homeostatic processes including basal metabolism, cardiovascular function, body weight, and lipid trafficking. TR modulators are potential therapeutics for obesity and hyperlipidemias but current thyroid analogs have undesirable side effects, particularly car... aid2455.table aid2455.tbin
2456 235 Broad Institute MLPCN Alpha-Synuclein 5'UTR Project Project ID: 2023 Keywords: alpha-synuclein, Parkinson's disease, translation, RNA stem-loop, 5'-untranslated region Primary Collaborators: Jack T. Rogers, Massachusetts General Hospital, jtrogers@rics.bwh.harvard.edu, 617-726-8838, Charlestown, MA Project Overview: The goal of this project is to identify novel small molecule probes that increase alpha-synuclein translational expression in dopaminergic neurons by targeting the 5'-untranslat... aid2456.table aid2456.tbin
2457 235 Broad Institute MLPCN Alpha-Synuclein 5'UTR Project Project ID: 2023 Keywords: alpha-synuclein, Parkinson's disease, translation, RNA stem-loop, 5'-untranslated region Primary Collaborators: Jack T. Rogers, Massachusetts General Hospital, jtrogers@rics.bwh.harvard.edu, 617-726-8838, Charlestown, MA Project Overview: The goal of this project is to identify novel small molecule probes that increase alpha-synuclein translational expression in dopaminergic neurons by targeting the 5'-untranslat... aid2457.table aid2457.tbin
2458 184 Broad Institute MLPCN Alpha-Synuclein 5'UTR Project Project ID: 2023 Keywords: alpha-synuclein, Parkinson's disease, translation, RNA stem-loop, 5'-untranslated region Primary Collaborators: Jack T. Rogers, Massachusetts General Hospital, jtrogers@rics.bwh.harvard.edu, 617-726-8838, Charlestown, MA Project Overview: The goal of this project is to identify novel small molecule probes that inhibit alpha-synuclein translational expression in dopaminergic neurons by targeting the 5'-untranslated ... aid2458.table aid2458.tbin
2459 550 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assay Provider: James R. Williamson, TSRI Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R21 NS056951-01 Grant Proposal PI: James R. Williamson External Assay ID: GLD1_INH_FP_1536_3X%INH Name: Fluorescence polarization-based biochemical high throughput confirmation assay for inhibitors of GLD-1 protein - TGE... aid2459.table aid2459.tbin
2460 28 Assay Description: Broad Institute MLPCN Alpha-Synuclein 5'UTR Project Project ID: 2023 Keywords: alpha-synuclein, Parkinson's disease, translation, RNA stem-loop, 5'-untranslated region Primary Collaborators: Jack T. Rogers, Massachusetts General Hospital, jtrogers@rics.bwh.harvard.edu, 617-726-8838, Charlestown, MA Project Overview: The goal of this project is to identify novel small molecule probes that inhibit alpha-synuclein translational expression in dopaminergic neurons by targ... aid2460.table aid2460.tbin
2461 2267 Data Source: Johns Hopkins Ion Channel Center (JHICC) BioAssay Type: Flux, Duplicate, Single Concentration Activity Observed Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening Center PI: Min Li, Ph.D. Assay Provider: Michael Zhu, Ph.D., Ohio State University Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R21 NS056942-01 Grant Proposal PI: Michael Zhu, Ph.... aid2461.table aid2461.tbin
2462 325733 Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Overview: The fate of cell survival versus apoptosis is determined by the balance of anti and pro-apoptotic proteins. Expression of activator BH3-only proteins, such as BIM or tBID, leads to downstream caspase activation and apoptosis. A1 can functionally bind to and sequester BIM or tBID. In this assay, the parental control cells do not depend on A1 ... aid2462.table aid2462.tbin
2463 28 Broad Institute MLPCN Alpha-Synuclein 5'UTR Project Project ID: 2023 Keywords: alpha-synuclein, Parkinson's disease, translation, RNA stem-loop, 5'-untranslated region Primary Collaborators: Jack T. Rogers, Massachusetts General Hospital, jtrogers@rics.bwh.harvard.edu, 617-726-8838, Charlestown, MA Project Overview: The goal of this project is to identify novel small molecule probes that inhibit alpha-synuclein translational expression in dopaminergic neurons by targeting the 5'-untranslated ... aid2463.table aid2463.tbin
2465 23680 This data was generated through collaboration with the National Cancer Institute's Initiative for Chemical Genetics. Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Overview: The fate of cell survival versus apoptosis is determined by the balance of anti and pro-apoptotic proteins. Expression of activator BH3-only proteins, such as BIM or tBID, leads to downstream caspase activation and apoptosis.... aid2465.table aid2465.tbin
2466 20 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1 R03 MH084844-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute, San Diego CA The modulation of immune response activity is one of the major goals in the development of novel therapeutics for auto-immune and inflammatory disease... aid2466.table aid2466.tbin
2467 1838 Broad Institute MLPCN Antifungal Project Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, stress response Assay Overview: The basic assay strategy will consist of Fluconazole-resistant C. albicans clinical isolate cultured in 384-well dose-response format in the presence of a sub-toxic concentration of Fluconazole. Test compounds that inhibit subsequent growth in the presence of Fluconazole will merit further evaluation for their synergy with Flu... aid2467.table aid2467.tbin
2468 28 Broad Institute MLPCN Alpha-Synuclein 5'UTR Project Project ID: 2023 Keywords: alpha-synuclein, Parkinson's disease, translation, RNA stem-loop, 5'-untranslated region Primary Collaborators: Jack T. Rogers, Massachusetts General Hospital, jtrogers@rics.bwh.harvard.edu, 617-726-8838, Charlestown, MA Project Overview: The goal of this project is to identify novel small molecule probes that inhibit alpha-synuclein translational expression in dopaminergic neurons by targeting the 5'-untranslate... aid2468.table aid2468.tbin
2469 20 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1 R03 MH084844-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute, San Diego, CA The modulation of immune response activity is one of the major goals in the development of novel therapeutics for auto-immune and inflammatory diseas... aid2469.table aid2469.tbin
2470 14 Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assay is to identify compounds that specifically reduce streptokinase expression without inhibiting cell growth. Active compounds from the primary screen were tested in 6-point, 3-fold dilution doses with starting concentration at 15 uM as follows. GAS UMAA2166 at OD600 equal to 0.015 were plated onto 384-well plates (Corning 3570) and incubated with te... aid2470.table aid2470.tbin
2471 6 Assay Description: Broad Institute MLPCN Alpha-Synuclein 5'UTR Project Project ID: 2023 Keywords: alpha-synuclein, Parkinson's disease, translation, RNA stem-loop, 5'-untranslated region Primary Collaborators: Jack T. Rogers, Massachusetts General Hospital, jtrogers@rics.bwh.harvard.edu, 617-726-8838, Charlestown, MA Project Overview: The goal of this project is to identify novel small molecule probes that inhibit alpha-synuclein translational expression in dopaminergic neurons by targ... aid2471.table aid2471.tbin
2472 291445 MLPCN Grant: MH085699-01 Assay Provider: Osnat Herzberg, University of Maryland NCGC Assay Overview: The objective of this project is to obtain compounds that inhibit Giardia lamblia growth. G. lamblia is a human pathogen which afflicts impoverished nations; it is the most common cause of outbreaks of diarrhea in the United States. During the course of our study of potential drug targets in Giardia, we have identified the Class II (Zn2+ functions in electrophilic catalysis) fructose-1,6-bispho... aid2472.table aid2472.tbin
2473 1 Broad Institute MLPCN Alpha-Synuclein 5'UTR Project Project ID: 2023 Keywords: alpha-synuclein, Parkinson's disease, translation, RNA stem-loop, 5'-untranslated region Primary Collaborators (and laboratory where this assay was performed): Jack T. Rogers, Massachusetts General Hospital, jtrogers@rics.bwh.harvard.edu, 617-726-8838, Charlestown, MA Project Overview: The goal of this project is to identify novel small molecule probes that inhibit alpha-synuclein translational expression in dopami... aid2473.table aid2473.tbin
2474 8 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: David Frick, New York Medical College Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R03 MH085690-01 Grant Proposal PI: David Frick, New York Medical College External Assay ID: NS3HDNA_INH_FLINT_1536_3XIC50 LATE STAGE Name: Late stage results for the probe development effort to iden... aid2474.table aid2474.tbin
2475 20 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1 R03 MH084844-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute, San Diego CA The modulation of immune response activity is one of the major goals in the development of novel therapeutics for auto-immune and inflammatory diseases... aid2475.table aid2475.tbin
2476 8 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: David Frick, New York Medical College Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R03 MH085690-01 Grant Proposal PI: David Frick, New York Medical College External Assay ID: DNAETBR_INH_FLINT_1536_3XIC50 LATE STAGE CSDRUN Name: Late stage probe development counterscreen for inhib... aid2476.table aid2476.tbin
2477 14 Keywords: Group A streptococcus, GAS, streptokinase, virulence, inhibition, viability, EC50 Assay Overview: This assay measures cell viability and serves as a counter screen to identify compounds that specifically reduce streptokinase expression without inhibiting cell growth. Active compounds from the primary screen were tested in 6-point, 3-fold dilution doses with starting concentration at 15 uM as follows. GAS UMAA2166 at OD600 equal to 0.015 were plated onto 384-well plates (Corning 357... aid2477.table aid2477.tbin
2478 16 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network(MLPCN) Grant Number: 1X01DA026208-01 Assay Provider: Dr. Lawrance Barak, Duke University, Durham, NC Drug addiction is a disease that involves the G-protein coupled receptors in the central nervous system resulting in compulsive or abnormal behavior. Recent studies have shown that... aid2478.table aid2478.tbin
2479 64 NIH Molecular Libraries Probe Production Network [MLPCN] NIH Chemical Genomics Center [NCGC] MLPCN Grant: DK058080 Assay Provider: R. Kip Guy, St. Jude Children's Research Hospital NCGC Assay Overview: Thyroid receptor (TR) regulates many homeostatic processes including basal metabolism, cardiovascular function, body weight, and lipid trafficking. TR modulators are potential therapeutics for obesity and hyperlipidemias but current thyroid analogs have undesirable side effects, particularly car... aid2479.table aid2479.tbin
2480 60 Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number: 1X01MH085708-01 Assay Provider: Dr. Lawrence Barak, Duke University Addictive behavior stems from abnormal signaling activities in the brain. Thus identification of compounds blocking this modified signaling activity may lead to treatments for addictive behavior. GPR35, a to-date uncharacterize... aid2480.table aid2480.tbin
2483 20 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number: 1 R03 MH084844-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute, San Diego CA Multiple cellular stimuli acting through various pathways lead to NF-kB induction. The assay described below uses tumor necrosis factor alpha (TNFa), a cano... aid2483.table aid2483.tbin
2484 1 Broad Institute MLPCN Alpha-Synuclein 5'UTR Project Project ID: 2023 Keywords: alpha-synuclein, Parkinson's disease, translation, RNA stem-loop, 5'-untranslated region Primary Collaborators (and laboratory where this assay was performed): Jack T. Rogers, Massachusetts General Hospital, jtrogers@rics.bwh.harvard.edu, 617-726-8838, Charlestown, MA Project Overview: The goal of this project is to identify novel small molecule probes that inhibit alpha-synuclein translational expression in dopami... aid2484.table aid2484.tbin
2485 546 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number: 1 R03 MH084844-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute, San Diego CA Multiple cellular stimuli acting through various pathways lead to NF-kB induction. The assay described below uses tumor necrosis factor alpha (TNF-a), a can... aid2485.table aid2485.tbin
2486 1155 Keywords: Proteasome, MG132 Assay Overview: Counterscreen using human osteosarcoma U2OS cells to identify inhibitor of the proteasome pathway. The small molecules reducing the cleavage of peptide linked with luciferin and measured by the conversion of luciferin to oxyluciferin and light (luminescence) mediated by the luciferase will be considered as an inhibitor. Expected Outcome: Identification of compounds inhibiting the proteasome pathway. More specifically, compounds diminishing the lumine... aid2486.table aid2486.tbin
2487 22 NIH Molecular Libraries Probe Production Network [MLPCN] NIH Chemical Genomics Center [NCGC] MLPCN Grant: DK058080 Assay Provider: R. Kip Guy, St. Jude Children's Research Hospital NCGC Assay Overview: Thyroid receptor (TR) regulates many homeostatic processes including basal metabolism, cardiovascular function, body weight, and lipid trafficking. TR modulators are potential therapeutics for obesity and hyperlipidemias but current thyroid analogs have undesirable side effects, particularly car... aid2487.table aid2487.tbin
2488 9 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: A.D. Strosberg, TSRI Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number: 1-X01-MH085709-01 Grant Proposal PI: A.D. Strosberg, TSRI External Assay ID: HCVCORE_INH_HTRF_1536_3XIC50 LATE STAGE Name: Late stage results for the probe development effort to identify inhibitors of Hepatitis C Virus (HCV) core protei... aid2488.table aid2488.tbin
2489 92 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number: 1 R03 MH085675-01 Assay Provider: Dr Ilya Bezprozvanny, UT Southwestern Medical Center , Dallas, TX Chronic pain (neuropathic pain, inflammatory pain, cancer pain) is a major health problem. Opiate-based drugs, such as morphine and morphine derivatives, are the prim... aid2489.table aid2489.tbin
2490 68 NIH Molecular Libraries Probe Production Network [MLPCN] NIH Chemical Genomics Center [NCGC] MLPCN Grant: DK058080 Assay Provider: R. Kip Guy, St. Jude Children's Research Hospital NCGC Assay Overview: Thyroid receptor (TR) regulates many homeostatic processes including basal metabolism, cardiovascular function, body weight, and lipid trafficking. TR modulators are potential therapeutics for obesity and hyperlipidemias but current thyroid analogs have undesirable side effects, particularly car... aid2490.table aid2490.tbin
2491 20 Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Libraries Production Centers Network Grant Number: 1X01DA026208-01 Assay Provider: Dr. Lawrance Barak, Duke University, Durham NC Drug addiction is a disease that involves the G-protein coupled receptors in the central nervous system resulting in compulsive or abnormal behavior. Recent studies have shown that opioid receptors play a role in regulatin... aid2491.table aid2491.tbin
2492 16 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network(MLPCN) Grant Number: 1X01DA026208-01 Assay Provider: Dr. Lawrance Barak, Duke University, Durham NC Drug addiction is a disease that involves the G-protein coupled receptors in the central nervous system resulting in compulsive or abnormal behavior. Recent studies have shown that opioid... aid2492.table aid2492.tbin
2493 16 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network(MLPCN) Grant Number: 1X01DA026208-01 Assay Provider: Dr. Lawrance Barak, Duke University, Durham NC Drug addiction is a disease that involves the G-protein coupled receptors in the central nervous system resulting in compulsive or abnormal behavior. Recent studies have shown that opioid... aid2493.table aid2493.tbin
2494 10 NIH Molecular Libraries Screening Centers Network [MLSCN] NIH Chemical Genomics Center [NCGC] MLSCN Grant: 1 X01 MH078950-01 PI Name: Dr. James Wells, Dr. Enrique Perez-Paya, Dr.Janice Williams, Dr. Dennis Wolan, Mr. Brandon Butler NCGC Assay Overview: The caspases (Cysteine Aspartyl Protease) comprise a related family of 14 dimeric proteases that are critical mediators of apoptosis (programmed cell death) and inflammation. The caspases represent an important class of drug targets for stroke,... aid2494.table aid2494.tbin
2495 5 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1X01DA026208-01 Assay Provider: Dr. Lawrance Barak , Duke University, Durham, NC Drug addiction is a disease originating in the central nervous system that produces compulsive behaviors despite the negative consequences that may result. Major addictive drugs o... aid2495.table aid2495.tbin
2496 28 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number: 1 R03 MH085675-01 Assay Provider: Dr Ilya Bezprozvanny, UT Southwestern Medical Center , Dallas, TX The following describes a homogeneous time-resolved fluorescence resonance energy transfer (HTRF) HTS assay to identify small molecule test agents with spectral inter... aid2496.table aid2496.tbin
2497 16 Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Libraries Production Centers Network Grant Number: 1X01DA026208-01 Assay Provider: Dr. Lawrance Barak, Duke University, Durham NC Drug addiction is a disease that involves the G-protein coupled receptors in the central nervous system resulting in compulsive or abnormal behavior. Recent studies have shown that opioid receptors play a role in regulatin... aid2497.table aid2497.tbin
2498 20 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1X01DA026208-01 Assay Provider: Dr. Lawrance Barak, Duke University, Durham, NC Drug addiction is a disease that involves the G-protein coupled receptors in the central nervous system resulting in compulsive or abnormal behavior. Recent studies have shown tha... aid2498.table aid2498.tbin
2499 43 NIH Molecular Libraries Probe Production Centers Network [MLPCN] NIH Chemical Genomics Center [NCGC] MLPCN Grant: R03 MH085689-01 Assay Submitter (PI): Kent Lai (University of Utah School of Medicine, 50 N Mario Capecchi Drive, Salt Lake City, UT 84132) NCGC Assay Overview Inherited deficiency of galactose-1-phosphate uridyltransferase (GALT) can result in a potentially lethal disorder called Classic Galactosemia (OMIM 230400). Several lines of evidence indicate that an elevated level of galacto... aid2499.table aid2499.tbin
2500 24 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number: 1X01DA026208-01 Assay Provider: Dr. Lawrance Barak , Duke University, Durham NC Drug addiction is a disease originating in the central nervous system that produces compulsive behaviors despite the negative consequences that may result. Major addictive drugs of abus... aid2500.table aid2500.tbin
2501 2153 Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Probe Production Centers Network (MLPCN) Assay Provider: Dr. Jeffery Brodsky, University of Pittsburgh Award: R03MH084077-01 Assay Rationale and Summary: The oncogenic virus Simian Virus 40 (SV40) is a well-characterized model system to examine the underlying mechanisms of growth control and cancer. SV40 is also closely related to two viruses, JC and ... aid2501.table aid2501.tbin
2502 43 NIH Molecular Libraries Probe Production Centers Network [MLPCN] NIH Chemical Genomics Center [NCGC] MLPCN Grant: R03 MH085689-01 Assay Submitter (PI): Kent Lai (University of Utah School of Medicine, 50 N Mario Capecchi Drive, Salt Lake City, UT 84132) NCGC Assay Overview: One mM dithiothreitol (DTT) was used as a reducing agent to maintain the galactokinase (GALK) enzyme in its active form in the GALK qHTS screen (AID: 1868). However, it has been shown that in the presence of DTT a number of c... aid2502.table aid2502.tbin
2503 25 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: 1 R03 MH084844-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute The modulation of immune response activity is one of the major goals in the development of novel therapeutics for auto-immune and inflammatory diseases. The innate system r... aid2503.table aid2503.tbin
2504 25 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: 1 R03 MH084844-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute The modulation of immune response activity is one of the major goals in the development of novel therapeutics for auto-immune and inflammatory diseases. The innate system r... aid2504.table aid2504.tbin
2505 25 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: 1 R03 MH084844-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute The modulation of immune response activity is one of the major goals in the development of novel therapeutics for auto-immune and inflammatory diseases. The innate system r... aid2505.table aid2505.tbin
2506 43 NIH Molecular Libraries Probe Production Centers Network [MLPCN] NIH Chemical Genomics Center [NCGC] MLPCN Grant: R03 MH085689-01 Assay Submitter (PI): Kent Lai (University of Utah School of Medicine, 50 N Mario Capecchi Drive, Salt Lake City, UT 84132) NCGC Assay Overview The GHMP kinase family is a unique class of important enzymes that plays an essential role in many metabolic processes. It contains more than 170 protein members among which are the galactokinase (GALK) and the CMK enzymes. GA... aid2506.table aid2506.tbin
2507 124 MLSCN Grant: 1 R21 NS059478-01 Assay Provider: Qihong Huang, The Wistar Institute NCGC Assay Overview: MicroRNAs (miRNAs) are endogenously encoded small (~20-25 nucleotides), nonprotein-coding RNAs that are involved in post-transcriptional repression of target messenger RNAs (mRNAs) (Le and Hannon, 2004). Estimated to be involved in the regulation of 30% of all protein-coding mRNAs (Filipowicz et al., 2008), miRNAs play a significant role in many biological processes including cellular differe... aid2507.table aid2507.tbin
2508 124 MLSCN Grant: 1 R21 NS059478-01 Assay Provider: Qihong Huang, The Wistar Institute NCGC Assay Overview: MicroRNAs (miRNAs) are endogenously encoded small (~20-25 nucleotides), nonprotein-coding RNAs that are involved in post-transcriptional repression of target messenger RNAs (mRNAs) (Le and Hannon, 2004). Estimated to be involved in the regulation of 30% of all protein-coding mRNAs (Filipowicz et al., 2008), miRNAs play a significant role in many biological processes including cellular differe... aid2508.table aid2508.tbin
2509 2 Keywords: Platelet, activation, P-selectin, PMA, Protein kinase C Assay Overview: Cell-based assay for inhibition of PMA (phorbol myristate acetate)-induced P-selectin surface expression. Washed platelets obtained from individual donors were treated with compounds found to show less than 50% inhibition in an SFLLRN-induced FITC phalloidin assay. Platelet samples were treated with 30 uM compound. Following compound addition, platelets were stimulated with 5 nM PMA. After a 15-minute incubat... aid2509.table aid2509.tbin
2510 6 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Stefan Heller, Stanford University Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R03 MH083077-01 Grant Proposal PI: Stefan Heller, Stanford University External Assay ID: TRPML3-SELECTIVE_AG_FLUO8_1536_3XEC50_LATE STAGE Name: Late stage results from the probe development effort to i... aid2510.table aid2510.tbin
2511 8 Keywords: Platelet, activation, P-selectin, SFLLRN, PAR1, thrombin receptor, alpha-granule, secretion Assay Overview: Cell-based assay for inhibition of SFLLRN-induced P-selectin surface expression. Washed platelets obtained from individual donors were treated with a selection of compounds resourced as powders found to be active in secondary assays. Platelet samples were tested at 10uM, 3uM, 1uM, 0.3uM, and 0uM concentrations. Following compound addition, platelets were subsequently stimula... aid2511.table aid2511.tbin
2512 6 NIH Molecular Libraries Probe Production Network [MLPCN] NIH Chemical Genomics Center [NCGC] MLPCN Grant: DK058080 Assay Provider: R. Kip Guy, St. Jude Children's Research Hospital NCGC Assay Overview: Thyroid receptor (TR) regulates many homeostatic processes including basal metabolism, cardiovascular function, body weight, and lipid trafficking. TR modulators are potential therapeutics for obesity and hyperlipidemias but current thyroid analogs have undesirable side effects, particularly car... aid2512.table aid2512.tbin
2513 29 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Probe Production centers Network [MLPCN] MLPCN Grant: R03 MH084179-01 Assay Submitter (PI): Elliot Androphy NCGC Assay Overview: Spinal muscular atrophy (SMA) is caused by insufficient levels of the survival motor neuron protein SMN. The SMN locus on chromosome 5q13 contains two inverted copies of SMN called SMN1 and SMN2 which are 99% identical at the amino acid level. SMN1 is a fully functional protein and SMN2 skips exon 7 90% of t... aid2513.table aid2513.tbin
2514 29 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Probe Production centers Network [MLPCN] MLPCN Grant: R03 MH084179-01 Assay Submitter (PI): Elliot Androphy NCGC Assay Overview: Spinal muscular atrophy (SMA) is caused by insufficient levels of the survival motor neuron protein SMN. The SMN locus on chromosome 5q13 contains two inverted copies of SMN called SMN1 and SMN2 which are 99% identical at the amino acid level. SMN1 is a fully functional protein and SMN2 skips exon 7 90% of t... aid2514.table aid2514.tbin
2515 28 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Probe Production centers Network [MLPCN] MLPCN Grant: R03 MH084179-01 Assay Submitter (PI): Elliot Androphy NCGC Assay Overview: Spinal muscular atrophy (SMA) is caused by insufficient levels of the survival motor neuron protein SMN. The SMN locus on chromosome 5q13 contains two inverted copies of SMN called SMN1 and SMN2 which are 99% identical at the amino acid level. SMN1 is a fully functional protein and SMN2 skips exon 7 90% of t... aid2515.table aid2515.tbin
2516 212 Excerpt from MH082340 application (Dr. James Morris, Clemson University) Trypanosoma brucei, the digenic protozoan parasite that causes African sleeping sickness in man, annually infects ~500,000 people in sub-Saharan Africa, leading to 50,000-70,000 deaths per year. Glucose metabolism is essential for the parasite, with the pathogenic lifestage of the parasite, the bloodstream form (BSF), acquiring energy exclusively through glycolysis. Hexokinase (HK), the first enzyme in glycolysis, catal... aid2516.table aid2516.tbin
2517 352185 The apurinic/apyrimidinic endonuclease APE1 is the primary mammalian enzyme responsible for the removal of abasic (or AP) sites in DNA and functions centrally in the base excision DNA repair (BER) pathway. Recent studies suggested a link between an overexpression of APE1 in many cancers and resistance of these tumor cells to radio- and chemotherapy. Thus, targeting APE1 could improve the efficacy of current treatment paradigms by promoting selective sensitization or protection of diseased and nor... aid2517.table aid2517.tbin
2518 28 Keywords: Platelet, activation, P-selectin, SFLLRN, PAR1, thrombin receptor, alpha-granule, secretion Assay Overview: Cell-based assay for inhibition of SFLLRN-induced P-selectin surface expression. Washed platelets obtained from individual donors were treated with a selection of cherry picked compounds chosen based on activity in a retest at dose (AID 1889), a counterscreen for non-specific inhibitors to luciferase (AID 1891), not having known platelet activation inhibitory activity, and ha... aid2518.table aid2518.tbin
2519 10 Keywords: Platelet, activation, granule, secretion, arterial thrombosis, PAR1, SFLLRN, thrombin receptor Assay Overview: Dense granule release of platelet-rich plasma (PRP) retest at dose. Expired units of PRP obtained from a blood-distribution center were plated in 384-well white assay plates (Aurora, 00030721) on average of 15,600,000 platelets/well in 20ul. PRP was exposed to a subset of the positive compounds from AID 1889, which were selected for high inhibitory activity in the assay, no ... aid2519.table aid2519.tbin
2520 330436 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1R21NS059422-01 Assay Provider: Dr. Layton Smith, Sanford-Burnham Medical Research Institute Currently there are no small molecule tools to investigate the biological functions of apelin and its receptor. Apelin is the endogenous peptide ligand for the G-protein co... aid2520.table aid2520.tbin
2521 330480 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1R21NS059422-01 Assay Provider: Dr. Layton Smith, Sanford-Burnham Medical Research Institute Currently there are no small molecule tools to investigate the biological functions of apelin and its receptor. Apelin is the endogenous peptide ligand for the G-protei... aid2521.table aid2521.tbin
2522 2 Keywords: Platelet, activation, P-selectin, Ca2+-ionophore, Protein kinase C Assay Overview: Cell-based assay for inhibition of Ca2+-ionophore (A23187)-induced P-selectin surface expression. Washed platelets obtained from individual donors were treated with compounds found to show less than 50% inhibition in an SFLLRN-induced FITC phalloidin assay. Platelet samples were incubated with 30 uM compound. Following compound addition, platelets were stimulated with 10 uM A23187. After a 15-minute... aid2522.table aid2522.tbin
2523 1993 University of New Mexico Assay Overview Assay Support: 1 X01 MH085707-01 Project Title: HTS for developing T Cell Immune Modulators PI: Inkyu Hwang,PhD The Scripps Research Institute (La Jolla) Assay Implementation: Mark K. Haynes PhD, Chelin Hu MS, Anna Waller PhD, Mark Carter MS University of New Mexico Center for Molecular Discovery PI: Larry Sklar PhD Assay Background and Significance: When naive T cells encounter antigen presenting cells (APC) displaying cognate MHC-peptide compl... aid2523.table aid2523.tbin
2524 330480 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: X01-MH077602-01 Assay Provider: Dr. Jose Luis Millan, Sanford-Burnham Medical Research Institute, San Diego, CA Alkaline phosphatase (EC 3.1.3.1) (APs) catalyze the hydrolysis of phosphomonoesters, releasing inorganic phosphate and alcohol. APs are di... aid2524.table aid2524.tbin
2525 19 Keywords: mRNA maturation, polyadenylation, reporter gene assay, yeast, gene expression Assay: This is a dose response of the primary screening asssay. Yeast which harbor a reporter construct will be screened for elevated levels of beta-galactosidase activity using the luminescent signal from the GalScreen assay. Briefly, cells are lysed after incubation with compounds using the GalScreen reagent and then the luminescent signal is read on a plate reader. Expected Outcome: Compounds which pe... aid2525.table aid2525.tbin
2526 1 BCL2 family and apoptosis Impaired apoptosis is both critical to cancer development and a major barrier to effective treatment. It is now thought that one or more components of the apoptosis pathway are dysregulated in all cancers - either by genomic mutation of the genes encoding these proteins (e.g. via point mutation, copy number abnormalities or chromosomal translocation), or by other mechanisms (e.g. epigenetic mechanisms). The BCL2 protein family, highly conserved from worm to human, contr... aid2526.table aid2526.tbin
2527 2 Keywords: Platelet, activation, P-selectin, Ca2+-ionophore, Protein kinase C Assay Overview: Cell-based assay for inhibition of Ca2+-ionophore (A23187)-induced P-selectin surface expression. Washed platelets obtained from individual donors were treated with compounds found to show less than 50% inhibition in an SFLLRN-induced FITC phalloidin assay. Platelet samples were incubated with 30 uM compound. Following compound addition, platelets were stimulated with 10 uM A23187. After a 15-minute... aid2527.table aid2527.tbin
2528 354860 Survival of cells and the faithful propagation of the genome depend on elaborate mechanisms of detecting and repairing DNA damage. Treatment of advanced cancer relies on radiation therapy or chemotherapy, which kill cancer cells by causing extensive DNA damage. It is often found, that cancer cells develop resistance to therapy through enhanced activity of DNA repair functions; this has led to an increased interest in developing drugs that interfere with DNA repair, which could sensitize cancer ce... aid2528.table aid2528.tbin
2529 2 Keywords: Platelet, activation, P-selectin, PMA, Protein kinase C Assay Overview: Cell-based assay for inhibition of PMA (phorbol myristate acetate)-induced P-selectin surface expression. Washed platelets obtained from individual donors were treated with compounds found to show less than 50% inhibition in an SFLLRN-induced FITC phalloidin assay. Platelet samples were treated with 30 uM compound. Following compound addition, platelets were stimulated with 5 nM PMA. After a 15-minute incubati... aid2529.table aid2529.tbin
2530 258 NIH Chemical Genomics Center [NCGC] Malcolm Walkinshaw, Hugh Morgan, Linda Gilmore University of Edinburgh, UK MLPCN Grant: 1 R03 MH085697-01 NCGC Assay Overview: Luciferase (Kinase-Glo, Promega Corporation) was assayed for its ability to generate light using ATP and luciferin as substrates. The ATP concentration in the assay (10 uM) was within the linear range of enzyme activity for the assay conditions used. This assay was used as an counter screen for human pyruvate kinase M2 isoform. aid2530.table aid2530.tbin
2532 6 Data Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Gary Bokoch, TSRI Network: Molecular Libraries Probe Production Center Network (MLPCN) Grant Proposal Number: 1 R03 MH083264-01A1 Grant Proposal PI: Gary Bokoch, TSRI External Assay ID: NOX1_INH_LUMI_96_3XIC50_HEK/293 Name: Late stage results from the probe development effort to identify inhibitors of NOX1: HEK/293 IC50 Desc... aid2532.table aid2532.tbin
2533 244 NIH Chemical Genomics Center [NCGC] Matthew G. Vander Heiden, M.D., Ph.D. [Harvard Medical School, 77 Avenue Louis Pasteur, Boston, MA 02115] MLPCN Grant: 1 R03 MH085679-01 NCGC Assay Overview: Human pyruvate kinase muscle 2 (hPK-M2) enzyme was supplied as a highly purified (>95% pure) preparation from Harvard Medical School and assayed for its ability to generate ATP from ADP using phosphoenolpyruvate (PEP) as a substrate. ATP generation was detected in a coupled reaction by luciferase-mediated... aid2533.table aid2533.tbin
2534 98 NIH Chemical Genomics Center [NCGC] Wael M. Rabeh, Lyudmila Nedyalkova and Hee-Wan Park [Structural Genomics Consortium, 100 College St. Toronto, Ontario, Canada] NCGC Assay Overview: Human pyruvate kinase reticulocyte (hPK-R) enzyme was supplied as a highly purified (>95% pure) preparation from Structural Genomics Consortium in Toronto (Ontario, Canada) and assayed for its ability to generate ATP from ADP using phosphoenolpyruvate (PEP) as a substrate. ATP generation was detected in a coupled ... aid2534.table aid2534.tbin
2535 191 NIH Chemical Genomics Center [NCGC] Matthew G. Vander Heiden, M.D., Ph.D. [Harvard Medical School, 77 Avenue Louis Pasteur, Boston, MA 02115] NCGC Assay Overview: Human pyruvate kinase liver (hPK-L) enzyme was supplied as a highly purified (>95% pure) preparation from Harvard Medical School and assayed for its ability to generate ATP from ADP using phosphoenolpyruvate (PEP) as a substrate. ATP generation was detected in a coupled reaction by luciferase-mediated luminescence, an ATP-dependent pr... aid2535.table aid2535.tbin
2536 51 NIH Chemical Genomics Center [NCGC] Matthew G. Vander Heiden, M.D., Ph.D. [Harvard Medical School, 77 Avenue Louis Pasteur, Boston, MA 02115] NCGC Assay Overview: Human pyruvate kinase liver (hPK-M1) enzyme was supplied as a highly purified (>95% pure) preparation from Harvard Medical School and assayed for its ability to generate ATP from ADP using phosphoenolpyruvate (PEP) as a substrate. ATP generation was detected in a coupled reaction by luciferase-mediated luminescence, an ATP-dependent p... aid2536.table aid2536.tbin
2537 60 Human lipoxygenase 15hLO-2 is a member of the closely related lipoxygenase family of enzymes which catalyze the site-specific oxidation of arachidonic acid to various hormone precursor molecules and as such is a candidate for drug development in a variety of disease areas, such as cancer and inflammation. Inhibition of 15hLO-2 activity was screened by utilizing arachidonic acid as a substrate. The extent of hydroperoxide product formation was measured by a secondary chromogenic reaction in which ... aid2537.table aid2537.tbin
2538 22 Data Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Gary Bokoch, TSRI Network: Molecular Libraries Probe Production Center Network (MLPCN) Grant Proposal Number: 1 R03 MH083264-01A1 Grant Proposal PI: Gary Bokoch, TSRI External Assay ID: NOX1_INH_LUMI_384_3XIC50 Name: Luminescence-based cell-based dose response assay to identify inhibitors of NADPH oxidase 1 (NOX1) Descriptio... aid2538.table aid2538.tbin
2539 7 Data Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Gary Bokoch, TSRI Network: Molecular Libraries Probe Production Center Network (MLPCN) Grant Proposal Number: 1 R03 MH083264-01A1 Grant Proposal PI: Gary Bokoch, TSRI External Assay ID: NOX1_INH_LUMI_96_3X%INH_Selectivity Name: Late stage results from the probe development effort to identify inhibitors of (NADPH oxidase 1) NO... aid2539.table aid2539.tbin
2540 330480 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1R21 NS061758-01 fast track Assay Provider: Dr. Guy Salvesen, Sanford-Burnham Medical Research Institute, San Diego, CA. Modification of proteins by SUMO is a dynamic and reversible process. SUMOylation/deSUMOylation cycle regulates SUMOs function. Se... aid2540.table aid2540.tbin
2541 96 Data Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Gary Bokoch, TSRI Network: Molecular Libraries Probe Production Center Network (MLPCN) Grant Proposal Number: 1 R03 MH083264-01A1 Grant Proposal PI: Gary Bokoch, TSRI External Assay ID: NOX1_INH_LUMI_384_3X%INH Name: Luminescence-based cell-based assay to identify inhibitors of NADPH oxidase 1 (NOX1). Description: Host defe... aid2541.table aid2541.tbin
2543 2 Assay Provider: P. Jeffery Conn Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of novel allosteric modulators of the M1 Muscarinic receptor Grant Number: 1 R03 MH077606-01 Selective M1 activation is an attractive therapeutic approach for the treatment of cognitive impairment, Alzheimer's disease, schizophrenia and a number of other CNS disorders. Until recently, no highly selective M1 activators existed, and those that claimed to be highly M1 selective were either not ... aid2543.table aid2543.tbin
2544 330480 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: X01-MH077602-01 Assay Provider: Dr. Jose Luis Millan, Sanford-Burnham Medical Research Institute, San Diego, CA Alkaline phosphatase (EC 3.1.3.1) (APs) catalyze the hydrolysis of phosphomonoesters, releasing inorganic phosphate and alcohol. APs are di... aid2544.table aid2544.tbin
2545 42 Data Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Gary Bokoch, TSRI Network: Molecular Libraries Probe Production Center Network (MLPCN) Grant Proposal Number: 1 R03 MH083264-01A1 Grant Proposal PI: Gary Bokoch, TSRI External Assay ID: NOX1_INH_LUMI_96_3X%INH_HEK/293 Name: Late stage results from the probe development effort to identify inhibitors of (NADPH oxidase 1) NOX1: ... aid2545.table aid2545.tbin
2546 307648 NIH Molecular Libraries Probe Production Network [MLPCN] NIH Chemical Genomics Center [NCGC] MLPCN Grant: R03 DA026211-01 Assay Provider: Dan Littman, New York University Assay Overview: The retinoic acid-related orphan receptor (ROR) gamma is a transcription factor that has a central role in the differentiation of Th17 cells, a subset of T helper cells that secrete the inflammatory cytokines IL-17, IL-17F, and IL-22. Th17 cells have been implicated in graft versus host disease, autoimmune dis... aid2546.table aid2546.tbin
2547 174 NIH Molecular Libraries Probe Production Centers Network [MLPCN] NIH Chemical Genomics Center [NCGC] MLPCN Grant: R03 MH085689-01 Assay Submitter (PI): Kent Lai (University of Utah School of Medicine, 50 N Mario Capecchi Drive, Salt Lake City, UT 84132) NCGC Assay Overview Cytotoxicity of the active compounds in the GALK qHTS screen (AID 1868) was assessed using the CellTiter-Glo Luminescent Cell Viability Assay kit (Promega, USA) in the HEK-293 (ATCC) cell line. CellTiter-Glo measures the intr... aid2547.table aid2547.tbin
2548 4 Data Source: Johns Hopkins Ion Channel Center BioAssay Type: Confirmatory, Concentration-Response Relationship Observed Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening Center PI: Min Li, Ph.D. Assay Provider: Min Li, Ph.D. Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R03 DA027716-01 Grant Proposal PI: Min Li, Ph.D., Johns Hopkins University School of... aid2548.table aid2548.tbin
2549 239513 Survival of cells and the faithful propagation of the genome depend on elaborate mechanisms of detecting and repairing DNA damage. Treatment of advanced cancer relies on radiation therapy or chemotherapy, which kill cancer cells by causing extensive DNA damage. It is often found, that cancer cells develop resistance to therapy through enhanced activity of DNA repair functions; this has led to an increased interest in developing drugs that interfere with DNA repair, which could sensitize cancer ce... aid2549.table aid2549.tbin
2550 305679 Data Source: Johns Hopkins Ion Channel Center (TRPC6_Activator_MPD) BioAssay Type: Primary, Primary Screening, Single Concentration Activity Observed Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening Center PI: Min Li, Ph.D. Assay Provider: Mike Zhu Ph.D., Ohio State University Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R21 NS056942-01 Grant Proposal ... aid2550.table aid2550.tbin
2551 309031 NIH Molecular Libraries Probe Production Network [MLPCN] NIH Chemical Genomics Center [NCGC] MLPCN Grant: R03 DA026211-01 Assay Provider: Dan Littman, New York University Assay Overview: The retinoic acid-related orphan receptor (ROR) gamma is a transcription factor that has a central role in the differentiation of Th17 cells, a subset of T helper cells that secrete the inflammatory cytokines IL-17, IL-17F, and IL-22. Th17 cells have been implicated in graft versus host disease, autoimmune dis... aid2551.table aid2551.tbin
2552 1 NIH Molecular Libraries Probe Production Network [MLPCN] NIH Chemical Genomics Center [NCGC] MLPCN Grant: DK058080 Assay Provider: R. Kip Guy, St. Jude Children's Research Hospital NCGC Assay Overview: Thyroid receptor (TR) regulates many homeostatic processes including basal metabolism, cardiovascular function, body weight, and lipid trafficking. TR modulators are potential therapeutics for obesity and hyperlipidemias but current thyroid analogs have undesirable side effects, particularly car... aid2552.table aid2552.tbin
2553 305679 Name: High throughput screening of inhibitors of transient receptor potential cation channel C6 (TRPC6) Data Source: Johns Hopkins Ion Channel Center BioAssay Type: Primary, Primary Screening, Single Concentration Activity Observed Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening Center PI: Min Li, Ph.D. Assay Provider: Mike Zhu Ph.D., Ohio State University Network: Molecular Libraries Probe Producti... aid2553.table aid2553.tbin
2554 2267 Data Source: Johns Hopkins Ion Channel Center (JHICC) BioAssay Type: Flux, Duplicate, Single Concentration Activity Observed Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening Center PI: Min Li, Ph.D. Assay Provider: Michael Zhu, Ph.D., Ohio State University Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R21 NS056942-01 Grant Proposal PI: Michael Zhu, Ph.D.... aid2554.table aid2554.tbin
2555 2267 Data Source: Johns Hopkins Ion Channel Center (JHICC) BioAssay Type: Flux, Duplicate, Single Concentration Activity Observed Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening Center PI: Min Li, Ph.D. Assay Provider: Michael Zhu, Ph.D., Ohio State University Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R21 NS056942-01 Grant Proposal PI: Michael Zhu, Ph.D.... aid2555.table aid2555.tbin
2556 6 Data Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Gary Bokoch, TSRI Network: Molecular Libraries Probe Production Center Network (MLPCN) Grant Proposal Number: 1 R03 MH083264-01A1 Grant Proposal PI: Gary Bokoch, TSRI External Assay ID: NOX1_INH_LUMI_96_3X%IC50_Xanthine Oxidase Name: Late stage results from the probe development effort to identify inhibitors of (NADPH oxidase... aid2556.table aid2556.tbin
2557 327000 University of New Mexico Assay Overview: Assay Support Project Title:HTS for Identification of VLA-4 Allosteric Modulators 1 R01 HL081062-01 PI:Larry Sklar PhD and Alex Chigaev PhD Assay Implementation: Peter Simons PhD, Susan Young MS, Yang Wu PhD, Terry Foutz, Stephanie Sedillo, Anna Waller PhD, Mark Carter MS Assay Background and Significance: We have developed a novel ligand induced binding site (LIBS) mAb assay for integrin HTS using phycoerythrin (PE) labeled HUTS-21 mAb. The nove... aid2557.table aid2557.tbin
2558 936 Data Source: Johns Hopkins Ion Channel Center BioAssay Type: Primary, Primary Screening, Single Concentration Activity Observed Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening Center PI: Min Li, Ph.D. Assay Provider: Min Li, Ph.D. Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R03 DA027716-01 Grant Proposal PI: Min Li, Ph.D., Johns Hopkins University S... aid2558.table aid2558.tbin
2559 150 NIH Chemical Genomics Center [NCGC] Malcolm Walkinshaw, Hugh Morgan, Linda Gilmore University of Edinburgh, UK MLPCN Grant: 1 R03 MH085697-01 NCGC Assay Overview: Pyruvate kinase (L. Mexicana) (LmPK) enzyme was supplied as a highly purified (>95% pure) sulphate-free preparation from University of Edinburgh, UK and assayed for its ability to generate ATP from ADP using phosphoenolpyruvate (PEP) as a substrate. ATP generation was detected in a coupled reaction by luciferase-mediated luminescence, ... aid2559.table aid2559.tbin
2560 212 Excerpt from MH0882340 application (Dr. James Morris, Clemson University) Trypanosoma brucei, the digenic protozoan parasite that causes African sleeping sickness in man, annually infects ~500,000 people in sub-Saharan Africa, leading to 50,000-70,000 deaths per year. Glucose metabolism is essential for the parasite, with the pathogenic lifestage of the parasite, the bloodstream form (BSF), acquiring energy exclusively through glycolysis. Hexokinase (HK), the first enzyme in glycolysis, cata... aid2560.table aid2560.tbin
2561 225 NIH Chemical Genomics Center [NCGC] Malcolm Walkinshaw, Hugh Morgan, Linda Gilmore University of Edinburgh, UK MLPCN Grant: 1 R03 MH085697-01 NCGC Assay Overview: Pyruvate kinase (L. Mexicana) (LmPK) enzyme was supplied as a highly purified (>95% pure) sulphate-free preparation from University of Edinburgh, UK and assayed for its ability to generate ATP from ADP using phosphoenolpyruvate (PEP) as a substrate. ATP generation was detected in a coupled reaction by luciferase-mediated luminescence, ... aid2561.table aid2561.tbin
2562 163 NIH Chemical Genomics Center [NCGC] Wael M. Rabeh, Lyudmila Nedyalkova and Hee-Wan Park [Structural Genomics Consortium, 100 College St. Toronto, Ontario, Canada] NCGC Assay Overview: Human pyruvate kinase reticulocyte (hPK-R) enzyme was supplied as a highly purified (>95% pure) preparation from Structural Genomics Consortium in Toronto (Ontario, Canada) and a secondary assay was used to evaluate compounds. This assay couples the formation of pyruvate from hPK-R using lactate dehydrogenase (LDH... aid2562.table aid2562.tbin
2563 294788 Keywords: Ras Converting Enzyme, Inhibitor, Protease, HTS Primary Collaborators: Walter Schmidt,University of Georgia,120 Green St, Athens GA 30602,wschmidt@bmb.uga.edu,706.583.8241, Assay Overview: The assay that was run for the High Throughput Screen was an in vitro biochemical assay monitoring the endoprotease cleavage of a quenched isoprenylated peptide. Cleavage of the peptide substrate caused an increase in fluorescence intensity that could be read at 320/430nM. The enzyme activity was p... aid2563.table aid2563.tbin
2564 475 In order to distinguish true inhibitors of DNA-processing enzymes from promiscuous DNA-binding compounds among screening assay hits, we developed a homogeneous and miniaturized assay based on fluorescent dye displacement test as originally described by Tse and Boger (Accounts of Chemical Research (2004) 37: 61-69). The assay is based on the strong enhancement of fluorescence when Thiazole Orange (ThO) binds to double-stranded DNA: conversely, in the presence of a DNA-binding compound, Thiazole Or... aid2564.table aid2564.tbin
2565 564 Assay Provider: David M. Wilson, III, National Institute on Aging, NIH Screening Center PI: Austin, C.P. Screening Center: NIH Chemical Genomics Center [NCGC] Escherichia coli endonuclease IV (Endo IV) is the key member of the AP endonuclease superfamily that catalyzes the cleavage of damaged DNA backbone immediately 5' of an AP site. E. coli EndoIV has the same functional activities as human APE1 but has no sequence or structural homology to the human protein. Herein, we utilize E. coli EndoIV ... aid2565.table aid2565.tbin
2566 20 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Probe Production centers Network [MLPCN] MLPCN Grant: X01-DA026210-01 Assay Submitter (PI): Heilig, Markus Alexander NCGC Assay Overview: Neuropeptide S receptor (NPSR), previously known as GPR154, is a recently de-orphanized G protein coupled receptor. Its endogenous ligand is the 20 amino acids peptide Neuropeptide S (NPS). Activation of NPSR induces transient increases in intracellular calcium and cAMP, suggesting coupling of this ... aid2566.table aid2566.tbin
2567 186 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Probe Production centers Network [MLPCN] MLPCN Grant: X01-DA026210-01 Assay Submitter (PI): Heilig, Markus Alexander NCGC Assay Overview: Neuropeptide S receptor (NPSR), previously known as GPR154, is a recently de-orphanized G protein coupled receptor. Its endogenous ligand is the 20 amino acids peptide Neuropeptide S (NPS). Activation of NPSR induces transient increases in intracellular calcium and cAMP, suggesting coupling of this ... aid2567.table aid2567.tbin
2568 186 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Probe Production centers Network [MLPCN] MLPCN Grant: X01-DA026210-01 Assay Submitter (PI): Heilig, Markus Alexander NCGC Assay Overview: Neuropeptide S receptor (NPSR), previously known as GPR154, is a recently de-orphanized G protein coupled receptor. Its endogenous ligand is the 20 amino acids peptide Neuropeptide S (NPS). Activation of NPSR induces transient increases in intracellular calcium and cAMP, suggesting coupling of this ... aid2568.table aid2568.tbin
2570 88 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Probe Production centers Network [MLPCN] MLPCN Grant: X01-DA026210-01 Assay Submitter (PI): Heilig, Markus Alexander NCGC Assay Overview: Neuropeptide S receptor (NPSR), previously known as GPR154, is a recently de-orphanized G protein coupled receptor. Its endogenous ligand is the 20 amino acids peptide Neuropeptide S (NPS). Activation of NPSR induces transient increases in intracellular calcium and cAMP, suggesting coupling of this ... aid2570.table aid2570.tbin
2572 748 The apurinic/apyrimidinic endonuclease APE1 is the primary mammalian enzyme responsible for the removal of abasic (or AP) sites in DNA and functions centrally in the base excision DNA repair (BER) pathway. Recent studies suggested a link between an overexpression of APE1 in many cancers and resistance of these tumor cells to radio- and chemotherapy. Thus, targeting APE1 could improve the efficacy of current treatment paradigms by promoting selective sensitization or protection of diseased and nor... aid2572.table aid2572.tbin
2573 475 The apurinic/apyrimidinic endonuclease APE1 is the primary mammalian enzyme responsible for the removal of abasic (or AP) sites in DNA and functions centrally in the base excision DNA repair (BER) pathway. Recent studies suggested a link between an overexpression of APE1 in many cancers and resistance of these tumor cells to radio- and chemotherapy. Thus, targeting APE1 could improve the efficacy of current treatment paradigms by promoting selective sensitization or protection of diseased and nor... aid2573.table aid2573.tbin
2576 169 NIH Chemical Genomics Center [NCGC] Matthew G. Vander Heiden, M.D., Ph.D. [Harvard Medical School, 77 Avenue Louis Pasteur, Boston, MA 02115] NCGC Assay Overview: Human pyruvate kinase muscle 2 (hPK-M2)enzyme was supplied as a highly purified (>95% pure) preparation from Harvard Medical School and a secondary assay was used to evaluate compounds. This assay couples the formation of pyruvate from hPK-M2 using lactate dehydrogenase (LDH) and NADH. The depletion of NADH is followed in a fluorescen... aid2576.table aid2576.tbin
2577 70 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Probe Production Centers Network [MLPCN] MLPCN Grant: MH086442-01 Assay Submitter (PI): Wei Zheng Glucocerebrosidase (GC) catalyzes the hydrolysis of beta-glucocerebroside to glucose and ceramide in lysosomes. Mutations in the glucocerebrosidase gene result in Gaucher disease, an autosomal recessive lysosomal storage disorder. Many of the mutations encountered in patients with Gaucher disease are missense alterations that may cause mis... aid2577.table aid2577.tbin
2578 70 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Probe Production Centers Network [MLPCN] MLPCN Grant: MH086442-01 Assay Submitter (PI): Wei Zheng Glucocerebrosidase (GC) catalyzes the hydrolysis of beta-glucocerebroside to glucose and ceramide in lysosomes. Mutations in the glucocerebrosidase gene result in Gaucher disease, an autosomal recessive lysosomal storage disorder. Many of the mutations encountered in patients with Gaucher disease are missense alterations that may cause mis... aid2578.table aid2578.tbin
2579 182 Excerpt from MH082340 application (Dr. James Morris, Clemson University) Trypanosoma brucei, the digenic protozoan parasite that causes African sleeping sickness in man, annually infects ~500,000 people in sub-Saharan Africa, leading to 50,000-70,000 deaths per year. Glucose metabolism is essential for the parasite, with the pathogenic lifestage of the parasite, the bloodstream form (BSF), acquiring energy exclusively through glycolysis. Hexokinase (HK), the first enzyme in glycolysis, catal... aid2579.table aid2579.tbin
2580 1 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Sanford-Burnham Medical Research Institute(SBMRI, San Diego CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number: 1R21NS059422-01 Assay Provider: Dr. Layton Smith, Sanford-Sanford-Burnham Medical Research Institute Currently there are no small molecule tools to investigate the biological functions of apelin and its receptor. Apelin is the endogenous peptide ligand for the... aid2580.table aid2580.tbin
2581 49 Data Source: Johns Hopkins Ion Channel Center (JHICC) BioAssay Type: Automated Electrophysiology, Patch Clamp, Multiple Concentration Activity in Multiplicates Observed Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening Center PI: Min Li, Ph.D. Assay Provider: Elena Makhina Ph.D., University of Pittsburgh Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R03 ... aid2581.table aid2581.tbin
2583 6 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Stefan Heller, Stanford University Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number 1 R03 MH083077-01 Grant Proposal PI: Stefan Heller, Stanford University External Assay ID: TRPN1_AG_FLUO8_1536_3XEC50_LATE STAGE CS DRUN Name: Late stage counterscreen for the probe development effort to ... aid2583.table aid2583.tbin
2584 52 Assay Provider: Holman, T.R., University of California, Santa Cruz Screening Center PI: Austin, Christopher P. Screening Center: NIH Chemical Genomics Center Human lipoxygenase 12hLO is a member of the closely related lipoxygenase family of enzymes which catalyze the site-specific oxidation of arachidonic acid to various hormone precursor molecules and as such is a candidate for drug development in a variety of disease areas, such as cancer and inflammation. Inhibition of 12hLO activity was scre... aid2584.table aid2584.tbin
2585 222 Survival of cells and the faithful propagation of the genome depend on elaborate mechanisms of detecting and repairing DNA damage. Treatment of advanced cancer relies on radiation therapy or chemotherapy, which kill cancer cells by causing extensive DNA damage. It is often found, that cancer cells develop resistance to therapy through enhanced activity of DNA repair functions; this has led to an increased interest in developing drugs that interfere with DNA repair, which could sensitize cancer ce... aid2585.table aid2585.tbin
2586 27 Keywords: NIH3T3, cytotoxic Assay Overview: The assay detects compounds that are cytotoxic to NIH3T3 cells after approx. 90hrs in culture. After plating the NIH3T3 cells, compounds are added to the wells. After 90 hours culturing, all cells in the well are lysed and ATP is detected using Cell Titer Glo Expected Outcome: Compounds significantly suppressing luminescence, and therefore cytotoxic to NIH3T3s will be resolved as hits. This is a counter screen to determine compounds that might yi... aid2586.table aid2586.tbin
2587 4 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Probe Production Centers Network [MLPCN] MLPCN Grant: MH086442-01 Assay Submitter (PI): Wei Zheng Glucocerebrosidase (GC) catalyzes the hydrolysis of beta-glucocerebroside to glucose and ceramide in lysosomes. Mutations in the glucocerebrosidase gene result in Gaucher disease, an autosomal recessive lysosomal storage disorder. Many of the mutations encountered in patients with Gaucher disease are missense alterations that may cause mis... aid2587.table aid2587.tbin
2588 152 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Probe Production Centers Network [MLPCN] MLPCN Grant: MH086442-01 Assay Submitter (PI): Wei Zheng Glucocerebrosidase (GC) catalyzes the hydrolysis of beta-glucocerebroside to glucose and ceramide in lysosomes. Mutations in the glucocerebrosidase gene result in Gaucher disease, an autosomal recessive lysosomal storage disorder. Many of the mutations encountered in patients with Gaucher disease are missense alterations that may cause mis... aid2588.table aid2588.tbin
2589 4 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Probe Production Centers Network [MLPCN] MLPCN Grant: MH086442-01 Assay Submitter (PI): Wei Zheng Glucocerebrosidase (GC) catalyzes the hydrolysis of beta-glucocerebroside to glucose and ceramide in lysosomes. Mutations in the glucocerebrosidase gene result in Gaucher disease, an autosomal recessive lysosomal storage disorder. Many of the mutations encountered in patients with Gaucher disease are missense alterations that may cause mis... aid2589.table aid2589.tbin
2590 350 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Probe Production Centers Network [MLPCN] MLPCN Grant: MH086442-01 Assay Submitter (PI): Wei Zheng Glucocerebrosidase (GC) catalyzes the hydrolysis of beta-glucocerebroside to glucose and ceramide in lysosomes. Mutations in the glucocerebrosidase gene result in Gaucher disease, an autosomal recessive lysosomal storage disorder. Many of the mutations encountered in patients with Gaucher disease are missense alterations that may cause mis... aid2590.table aid2590.tbin
2591 10 Data Source: Johns Hopkins Ion Channel Center (JHICC_ Kir2.1_inhibitors_ME_2) BioAssay Type: Electrophysiology, Patch Clamp, Orthogonal Assay, Specificity Screen, Multiple Concentration Activity in Multiplicates Observed Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening Center PI: Min Li, Ph.D. Assay Provider: Elena Makhina Ph.D., University of Pittsburgh Network: Molecular Libraries Probe Production C... aid2591.table aid2591.tbin
2592 21 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Probe Production Centers Network [MLPCN] MLPCN Grant: MH086442-01 Assay Submitter (PI): Wei Zheng Glucocerebrosidase (GC) catalyzes the hydrolysis of beta-glucocerebroside to glucose and ceramide in lysosomes. Mutations in the glucocerebrosidase gene result in Gaucher disease, an autosomal recessive lysosomal storage disorder. Many of the mutations encountered in patients with Gaucher disease are missense alterations that may cause mis... aid2592.table aid2592.tbin
2593 2 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Probe Production Centers Network [MLPCN] MLPCN Grant: MH086442-01 Assay Submitter (PI): Wei Zheng Glucocerebrosidase (GC) catalyzes the hydrolysis of beta-glucocerebroside to glucose and ceramide in lysosomes. Mutations in the glucocerebrosidase gene result in Gaucher disease, an autosomal recessive lysosomal storage disorder. Many of the mutations encountered in patients with Gaucher disease are missense alterations that may cause mis... aid2593.table aid2593.tbin
2594 25 Data Source: Johns Hopkins Ion Channel Center (JHICC) BioAssay Type: Confirmatory, Confirmatory Screening, Multiple Concentration Activity Observed. Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening Center PI: Min Li, Ph.D. Assay Provider: Elena Makhina Ph.D., University of Pittsburgh Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R03 DA026212-01 Grant Pro... aid2594.table aid2594.tbin
2595 52 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Probe Production Centers Network [MLPCN] MLPCN Grant: MH086442-01 Assay Submitter (PI): Wei Zheng Glucocerebrosidase (GC) catalyzes the hydrolysis of beta-glucocerebroside to glucose and ceramide in lysosomes. Mutations in the glucocerebrosidase gene result in Gaucher disease, an autosomal recessive lysosomal storage disorder. Many of the mutations encountered in patients with Gaucher disease are missense alterations that may cause mis... aid2595.table aid2595.tbin
2596 94 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Probe Production Centers Network [MLPCN] MLPCN Grant: MH086442-01 Assay Submitter (PI): Wei Zheng Glucocerebrosidase (GC) catalyzes the hydrolysis of beta-glucocerebroside to glucose and ceramide in lysosomes. Mutations in the glucocerebrosidase gene result in Gaucher disease, an autosomal recessive lysosomal storage disorder. Many of the mutations encountered in patients with Gaucher disease are missense alterations that may cause mis... aid2596.table aid2596.tbin
2597 52 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Probe Production Centers Network [MLPCN] MLPCN Grant: MH086442-01 Assay Submitter (PI): Wei Zheng Glucocerebrosidase (GC) catalyzes the hydrolysis of beta-glucocerebroside to glucose and ceramide in lysosomes. Mutations in the glucocerebrosidase gene result in Gaucher disease, an autosomal recessive lysosomal storage disorder. Many of the mutations encountered in patients with Gaucher disease are missense alterations that may cause mis... aid2597.table aid2597.tbin
2599 330480 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation:Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLSCN) Grant Proposal Number: 1R21 NS061758-01 fast track Assay Provider: Dr. Guy Salvesen, Sanford-Burnham Medical Research Institute, San Diego, CA. Modification of proteins by SUMO is a dynamic and reversible process. SUMOylation/deSUMOylation cycle regulates SUMOs function. Sen... aid2599.table aid2599.tbin
2600 1 Excerpt from MH0882340 application (Dr. James Morris, Clemson University) Trypanosoma brucei, the digenic protozoan parasite that causes African sleeping sickness in man, annually infects ~500,000 people in sub-Saharan Africa, leading to 50,000-70,000 deaths per year. Glucose metabolism is essential for the parasite, with the pathogenic lifestage of the parasite, the bloodstream form (BSF), acquiring energy exclusively through glycolysis. Hexokinase (HK), the first enzyme in glycolysis, cata... aid2600.table aid2600.tbin
2603 56 BioAssay Type: Confirmatory, Concentration-Response Relationship Observed Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening Center PI: Min Li, Ph.D. Assay Provider: Min Li, Ph.D. Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R03 DA027716-01 Grant Proposal PI: Min Li, Ph.D., Johns Hopkins University School of Medicine Assay Implementation: Haibo Yu Ph.D, ... aid2603.table aid2603.tbin
2605 5 BioAssay Type: Confirmatory, Single Concentration Response Observed Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening Center PI: Min Li, Ph.D. Assay Provider: Dr. Sabina Kupershmidt, Vanderbilt University Medical Center Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1R03MH084820-01 Grant Proposal PI: Dr. Sabina Kupershmidt, Vanderbilt University Medical Cent... aid2605.table aid2605.tbin
2606 324858 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assay Provider: Sabine Ehrt, Weill Cornell Medical College Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number: R01 AI081725-01 Fast Track Grant Proposal PI: Sabine Ehrt External Assay ID: RV3671C_INH_FP_1536_1X%INH Name: Fluorescence polarization-based primary biochemical high throughput screening assay to identify... aid2606.table aid2606.tbin
2607 14 Primary Collaborators(and laboratory where this assay was performed): Brent Stockwell,Columbia University,bs2198@columbia.edu,212-854-2948,614 Fairchild Center, MC 2406, 1212 Amsterdam Ave, New York, NY 10027 Dan Zaharevitz,NCI Science Officer,zaharevd@mail.nih.gov Keywords: Ras, apoptosis, cancer, VDAC, oxidative cell death Assay: Cell viability of BJeLR (BJ fibroblasts transformed with hTERT, genomic SV40 LT and ST oncoproteins, and oncogenic HRASV12). Using Alamer Blue, which is metabolized... aid2607.table aid2607.tbin
2608 14 Primary Collaborators(and laboratory where this assay was performed): Brent Stockwell,Columbia University,bs2198@columbia.edu,212-854-2948,614 Fairchild Center, MC 2406, 1212 Amsterdam Ave, New York, NY 10027 Dan Zaharevitz,NCI Science Officer,zaharevd@mail.nih.gov Keywords: Ras, apoptosis, cancer, VDAC, oxidative cell death Assay: Cell viability of BJeLR (BJ fibroblasts transformed with hTERT, genomic SV40 LT and ST oncoproteins, and oncogenic HRASV12). Using Alamer Blue, which is metabolized... aid2608.table aid2608.tbin
2609 14 Primary Collaborators(and laboratory where this assay was performed): Brent Stockwell,Columbia University,bs2198@columbia.edu,212-854-2948,614 Fairchild Center, MC 2406, 1212 Amsterdam Ave, New York, NY 10027 Dan Zaharevitz,NCI Science Officer,zaharevd@mail.nih.gov Keywords: Ras, apoptosis, cancer, VDAC, oxidative cell death Assay: Cell viability of BJeLR (BJ fibroblasts transformed with hTERT, genomic SV40 LT and ST oncoproteins, and oncogenic HRASV12). Using Alamer Blue, which is metabolized... aid2609.table aid2609.tbin
2610 435 Primary Collaborators(and laboratory where this assay was performed): Brent Stockwell,Columbia University,bs2198@columbia.edu,212-854-2948,614 Fairchild Center, MC 2406, 1212 Amsterdam Ave, New York, NY 10027 Dan Zaharevitz,NCI Science Officer,zaharevd@mail.nih.gov Keywords: Ras, apoptosis, cancer, VDAC, oxidative cell death Assay: Cell viability of BJeLR (BJ fibroblasts transformed with hTERT, genomic SV40 LT and ST oncoproteins, and oncogenic HRASV12). Using Alamer Blue, which is metabolized... aid2610.table aid2610.tbin
2611 14 Primary Collaborators(and laboratory where this assay was performed): Brent Stockwell,Columbia University,bs2198@columbia.edu,212-854-2948,614 Fairchild Center, MC 2406, 1212 Amsterdam Ave, New York, NY 10027 Dan Zaharevitz,NCI Science Officer,zaharevd@mail.nih.gov Keywords: Ras, apoptosis, cancer, VDAC, oxidative cell death Assay: Cell viability of BJeLR (BJ fibroblasts transformed with hTERT, genomic SV40 LT and ST oncoproteins, and oncogenic HRASV12). Using Alamer Blue, which is metabolized... aid2611.table aid2611.tbin
2612 7 Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Probe Centers Network (MLPCN) Assay Provider: Dr. Jason Harris, Massachusetts General Hospital Assay Rationale and Summary: Salmonella is a genus of rod-shaped Gram-negative enterobacteria that causes typhoid fever, paratyphoid fever, and foodborne illness. Salmonella enterica, serovar Typhimurium, is a leading cause of human gastroenteritis (acute i... aid2612.table aid2612.tbin
2613 83 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Probe Production Centers Network [MLPCN] MLPCN Grant: MH086442-01 Assay Submitter (PI): Wei Zheng Glucocerebrosidase (GC) catalyzes the hydrolysis of beta-glucocerebroside to glucose and ceramide in lysosomes. Mutations in the glucocerebrosidase gene result in Gaucher disease, an autosomal recessive lysosomal storage disorder. Many of the mutations encountered in patients with Gaucher disease are missense alterations that may cause mis... aid2613.table aid2613.tbin
2614 113 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1 R03 MH084862-01 Assay Provider: Dr. Yuan Chen, Beckman Research Institute, City Of Hope, CA Protein modification by the SUMO (Small Ubiquitin-like MOdifier) family of proteins is an important post-translational modification that plays an essential role in ma... aid2614.table aid2614.tbin
2615 10 Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Probe Production Centers Network (MLPCN) Assay Provider: Dr. Jeffery Brodsky, University of Pittsburgh, Pittsburgh, PA Award: R03MH084077-01 Rationale and Summary: The oncogenic virus Simian Virus 40 (SV40) is a well-characterized model system to examine the underlying mechanisms of growth control and cancer. SV40 is also closely related to two viruse... aid2615.table aid2615.tbin
2619 1 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: X01 MH083230-01 Assay Provider: Dr. Dmitri Rozanov, Sanford-Burnham Institute for Medical Research, San Diego, CA Cytotoxic chemotherapy induces apoptosis via a pathway involving mitochondria, sometimes referred to as the "intrinsic pathway." An acquired resi... aid2619.table aid2619.tbin
2620 193 NIH Chemical Genomics Center [NCGC] Matthew G. Vander Heiden, M.D., Ph.D. [Harvard Medical School, 77 Avenue Louis Pasteur, Boston, MA 02115] NCGC Assay Overview: Human pyruvate kinase liver (hPK-M1)enzyme was supplied as a highly purified (>95% pure) preparation from Harvard Medical School and a secondary assay was used to evaluate compounds. This assay couples the formation of pyruvate from hPK-R using lactate dehydrogenase (LDH) and NADH. The depletion of NADH is followed in a fluorescent-ba... aid2620.table aid2620.tbin
2621 591 University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. cerevisiae PI: Maggie Werner-Washburne Center PI: Larry Sklar Assay Implementation: Jun Chen, Chris Allen, Susan Young, Anna Waller, Mark Carter Assay Background and Significance: The target of rapamycin, TOR, is a ser/thr protein kinase evolutionarily conserved from yeast to man [Wullschleger, et al. 2006]. TOR functions in two distinct protein... aid2621.table aid2621.tbin
2622 591 University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. cerevisiae PI: Maggie Werner-Washburne Center PI: Larry Sklar Assay Implementation: Jun Chen, Chris Allen, Susan Young, Anna Waller, Mark Carter Assay Background and Significance: The target of rapamycin, TOR, is a ser/thr protein kinase evolutionarily conserved from yeast to man [Wullschleger, et al. 2006]. TOR functions in two distinct protein... aid2622.table aid2622.tbin
2623 591 University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. cerevisiae PI: Maggie Werner-Washburne Center PI: Larry Sklar Assay Implementation: Jun Chen, Chris Allen, Susan Young, Anna Waller, Mark Carter Assay Background and Significance: The target of rapamycin, TOR, is a ser/thr protein kinase evolutionarily conserved from yeast to man [Wullschleger, et al. 2006]. TOR functions in two distinct protein... aid2623.table aid2623.tbin
2624 591 University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. cerevisiae PI: Maggie Werner-Washburne Center PI: Larry Sklar Assay Implementation: Jun Chen, Chris Allen, Susan Young, Anna Waller, Mark Carter Assay Background and Significance: The target of rapamycin, TOR, is a ser/thr protein kinase evolutionarily conserved from yeast to man [Wullschleger, et al. 2006]. TOR functions in two distinct protein... aid2624.table aid2624.tbin
2625 193 NIH Chemical Genomics Center [NCGC] Matthew G. Vander Heiden, M.D., Ph.D. [Harvard Medical School, 77 Avenue Louis Pasteur, Boston, MA 02115] NCGC Assay Overview: Human pyruvate kinase liver (hPK-L)enzyme was supplied as a highly purified (>95% pure) preparation from Harvard Medical School and a secondary assay was used to evaluate compounds. This assay couples the formation of pyruvate from hPK-R using lactate dehydrogenase (LDH) and NADH. The depletion of NADH is followed in a fluorescent-bas... aid2625.table aid2625.tbin
2626 33 Assay Provider: P. Jeffery Conn Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of novel allosteric modulators of the M1 Muscarinic receptor Grant Number: 1 R03 MH077606-01 Selective M1 activation is an attractive therapeutic approach for the treatment of cognitive impairment, Alzheimer's disease, schizophrenia and a number of other CNS disorders. Until recently, no highly selective M1 activators existed, and those that claimed to be highly M1 selective were either not ... aid2626.table aid2626.tbin
2627 1 Broad Institute MLPCN Alpha-Synuclein 5'UTR Project Project ID: 2023 Keywords: alpha-synuclein, Parkinson's disease, translation, RNA stem-loop, 5'-untranslated region Primary Collaborators (and laboratory where this assay was performed): Jack T. Rogers, Massachusetts General Hospital, jtrogers@rics.bwh.harvard.edu, 617-726-8838, Charlestown, MA Project Overview: The goal of this project is to identify novel small molecule probes that increase alpha-synuclein translational expression in dopam... aid2627.table aid2627.tbin
2628 2 NIH Molecular Libraries Probe Production Network [MLPCN] NIH Chemical Genomics Center [NCGC] MLPCN Grant: 1 R03 MH083257-01 Assay Provider: Barry Coller, Rockefeller University NCGC Assay Overview: The alphaIIbbeta3 receptor plays a vital role in hemostasis and thrombosis, where receptor deficiency causes the hemorrhagic disorder, Glanzmann thrombasthenia, and uncontrolled receptor activation causes thrombosis and blood vessel occlusion. Small molecule inhibitors of alphaIIbbeta3, tirofiban an... aid2628.table aid2628.tbin
2629 323875 Primary Collaborators: Kenneth Kaye,Brigham & Womens,Boston MA,kkaye@rics.bwh.harvard.edu,617-525-4256 Chantal Beauchemin,Brigham & Womens,Boston MA,cbeauchemin@rics.bwh.harvard.edu,617-525-4256 Keywords: KSHV, LANA, fluorescence polarization, nucleosomes, viral persistence Assay Overview: Screening for inhibitors that reduce or prevent the binding of LANA to the acidic region of the H2A/H2B histone dimer interface. Synthetic LANA peptide is labeled with an amino terminal FITC fluorophore link... aid2629.table aid2629.tbin
2630 42 Keywords: Trypanosoma cruzi, Chagas disease Assay Overview: The assay detects intracellular trypanosomes that are replicating inside host cells. NIH3T3 cells are trypsinized, counted, and plated in 384-well tissue culture plates. After plating the NIH3T3 cells, compounds are added to the wells. T. cruzi that are genetically modified to express b-galactosidase are then harvested and active Trypomastigotes form are counted and co-cultured with the NIH3T3 cells. After 90 hours of co-culture, a... aid2630.table aid2630.tbin
2631 435 Primary Collaborators(and laboratory where this assay was performed): Brent Stockwell,Columbia University,bs2198@columbia.edu,212-854-2948,614 Fairchild Center, MC 2406, 1212 Amsterdam Ave, New York, NY 10027 Dan Zaharevitz,NCI Science Officer,zaharevd@mail.nih.gov Keywords: Ras, apoptosis, cancer, VDAC, oxidative cell death Assay: Cell viability of BJeLR (BJ fibroblasts transformed with hTERT, genomic SV40 LT and ST oncoproteins, and oncogenic HRASV12). Using Alamer Blue, which is metabolized... aid2631.table aid2631.tbin
2632 27 Primary Collaborators(and laboratory where this assay was performed): Ana Rodriguez,NYU,Ana.Rodriguez@nyumc.org,212-263-6757(Office),212-263-6589(lab),New York University School of Medicine Department of Medical Parasitology 341 E. 25th St. New York NY 10010 Esther Bettiol,Merck/Serano,estherbettiol@hotmail.com,Switzerland Keywords: Trypanosoma cruzi, Chagas disease Assay Overview: The aim of the assay is to determine the extent of compound-mediated inhibition of T. cruzi replication and meth... aid2632.table aid2632.tbin
2633 73 Primary Collaborators(and laboratory where this assay was performed): Brent Stockwell,Columbia University,bs2198@columbia.edu,212-854-2948,614 Fairchild Center, MC 2406, 1212 Amsterdam Ave, New York, NY 10027 Dan Zaharevitz,NCI Science Officer,zaharevd@mail.nih.gov Keywords: Ras, apoptosis, cancer, VDAC, oxidative cell death Assay: Cell viability of BJeLR (BJ fibroblasts transformed with hTERT, genomic SV40 LT and ST oncoproteins, and oncogenic HRASV12). Using Alamer Blue, which is metabolized... aid2633.table aid2633.tbin
2634 32 NIH Molecular Libraries Probe Production Network [MLPCN] NIH Chemical Genomics Center [NCGC] MLPCN Grant: 1 R03 MH083257-01 Assay Provider: Barry Coller, Rockefeller University NCGC Assay Overview: The alphaIIbbeta3 receptor plays a vital role in hemostasis and thrombosis, where receptor deficiency causes the hemorrhagic disorder, Glanzmann thrombasthenia, and uncontrolled receptor activation causes thrombosis and blood vessel occlusion. Small molecule inhibitors of alphaIIbbeta3, tirofiban an... aid2634.table aid2634.tbin
2635 73 Primary Collaborators(and laboratory where this assay was performed): Brent Stockwell,Columbia University,bs2198@columbia.edu,212-854-2948,614 Fairchild Center, MC 2406, 1212 Amsterdam Ave, New York, NY 10027 Dan Zaharevitz,NCI Science Officer,zaharevd@mail.nih.gov Keywords: Ras, apoptosis, cancer, VDAC, oxidative cell death Assay: Cell viability of BJeLR (BJ fibroblasts transformed with hTERT, genomic SV40 LT and ST oncoproteins, and oncogenic HRASV12). Using Alamer Blue, which is metabolized... aid2635.table aid2635.tbin
2636 2267 Data Source: Johns Hopkins Ion Channel Center (JHICC) BioAssay Type: Primary, Primary Screening, Confirmatory, Single Concentration Activity Observed Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening Center PI: Min Li, Ph.D. Assay Provider: Michael Zhu, Ph.D., Ohio State University Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R21 NS056942-01 Grant Propos... aid2636.table aid2636.tbin
2637 2267 Data Source: Johns Hopkins Ion Channel Center (JHICC) BioAssay Type: Primary, Primary Screening, Confirmatory, Single Concentration Activity Observed Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening Center PI: Min Li, Ph.D. Assay Provider: Michael Zhu, Ph.D., Ohio State University Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R21 NS056942-01 Grant Propos... aid2637.table aid2637.tbin
2638 3 Data Source: Johns Hopkins Ion Channel Center BioAssay Type: Mode of action, Concentration-Response Relationship Observed Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening Center PI: Min Li, Ph.D. Assay Provider: Dr. Sabina Kupershmidt, Vanderbilt University Medical Center Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1R03MH084820-01 Grant Proposal PI: Dr.... aid2638.table aid2638.tbin
2639 32 NIH Molecular Libraries Probe Production Network [MLPCN] NIH Chemical Genomics Center [NCGC] MLPCN Grant: 1 R03 MH083257-01 Assay Provider: Barry Coller, Rockefeller University NCGC Assay Overview: The alphaIIbbeta3 receptor plays a vital role in hemostasis and thrombosis, where receptor deficiency causes the hemorrhagic disorder, Glanzmann thrombasthenia, and uncontrolled receptor activation causes thrombosis and blood vessel occlusion. Small molecule inhibitors of alphaIIbbeta3, tirofiban an... aid2639.table aid2639.tbin
2640 7 A small molecule screen for inhibitors of the PhoP regulon in Salmonella Typhimurium. Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Probe Centers Network (MLPCN) Assay Provider: Dr. Jason Harris, Massachusetts General Hospital Grant number: 1R21-NS059429-01 Assay Rationale and Summary: Salmonella is a genus of rod-shaped Gram-negative enterobacteria that causes typhoid fever, paratyphoid fever, ... aid2640.table aid2640.tbin
2641 10 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Probe Production centers Network [MLPCN] MLPCN Grant: MH084841-01 Assay Submitter (PI): Wei Zheng NCGC Assay Overview: Alpha-glucosidase is responsible for hydrolysis of terminal, non-reducing 1,4-linked alpha-D-glucose residues with release of alpha-D-glucose. It is a lysosomal hydrolase that is required for the degradation of a small percentage (1-3%) of cellular glycogen in human. Deficiency of this enzyme results in glycogen-stora... aid2641.table aid2641.tbin
2642 305679 Data Source: Johns Hopkins Ion Channel Center (JHICC) BioAssay Type: Primary, Primary Screening, Single Concentration Activity Observed Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening Center PI: Min Li, Ph.D. Assay Provider: Meng Wu, Ph.D. Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R03 MH090837-01 Grant Proposal PI: Meng Wu, Ph.D., Johns Hopkins Un... aid2642.table aid2642.tbin
2643 591 University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. cerevisiae PI: Maggie Werner-Washburne Center PI: Larry Sklar Assay Implementation: Jun Chen, Chris Allen, Susan Young, Anna Waller, Mark Carter Assay Background and Significance: The target of rapamycin, TOR, is a ser/thr protein kinase evolutionarily conserved from yeast to man [Wullschleger, et al. 2006]. TOR functions in two distinct protein... aid2643.table aid2643.tbin
2644 23 Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Probe Production Centers Network (MLPCN) Assay Provider: Dr. Miriam Gochin, Touro University Award 1R21NS059403-01 With over 30 million people infected worldwide, and an estimated 2.5 million new infections and 2.1 million AIDS-related deaths occurring each year, human immunodeficiency virus type 1 (HIV-1) has a significant public health and socioecon... aid2644.table aid2644.tbin
2645 16 Keywords: Platelet, cAMP, PGE1, competitive ELISA Assay Overview: Cell-based assay for measurement of platelet cAMP levels. Washed platelets obtained from individual donors were treated with a selection of compounds that were chosen based on activity in an SFLLRN-induced P-selectin expression assay (AID 2518). Prostaglandin E1 (PGE1) at 1 uM was used as a positive control to elevate platelet cAMP levels. Compounds were tested at 10uM. Platelets were lysed following compound or control inc... aid2645.table aid2645.tbin
2646 1 Keywords: Platelet, cAMP, PGE1, competitive ELISA Assay Overview: Cell-based assay for measurement of platelet cAMP levels. Washed platelets obtained from individual donors were treated with a selection of compounds that were chosen based on activity in an SFLLRN-induced P-selectin expression assay (AID 2518). Prostaglandin E1 (PGE1) at 1 uM was used as a positive control to elevate platelet cAMP levels. Compounds were tested at 10uM. Platelets were lysed following compound or control inc... aid2646.table aid2646.tbin
2647 1 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: X01 MH083230-01 Assay Provider: Dr. Dmitri Rozanov, Sanford-Burnham Institute for Medical Research, San Diego CA Cytotoxic chemotherapy induces apoptosis via a pathway involving mitochondria, sometimes referred to as the "intrinsic pathway." An acquired resistance t... aid2647.table aid2647.tbin
2648 305679 Data Source: Johns Hopkins Ion Channel Center (JHICC_KCNQ1_Pot_Tl_HTS) BioAssay Type: Primary, Primary Screening, Single Concentration Activity Observed Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening Center PI: Min Li, Ph.D. Assay Provider: Meng Wu, Ph.D. Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R03 MH090837-01 Grant Proposal PI: Meng Wu, Ph.D.,... aid2648.table aid2648.tbin
2649 23 Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Probe Production Centers Network (MLPCN) Assay Provider: Dr. Miriam Gochin, Touro University Award 1R21NS059403-01 With over 30 million people infected worldwide, and an estimated 2.5 million new infections and 2.1 million AIDS-related deaths occurring each year, human immunodeficiency virus type 1 (HIV-1) has a significant public health and socioecon... aid2649.table aid2649.tbin
2650 315508 Keywords: Glycogen synthase kinase-3 alpha (GSK-3 alpha), kinase, acute myeloblastic leukemia (AML), multiple myeloma (MM), cancer, high-throughput screening (HTS) Assay Overview: GSK-3 alpha has emerged as a target for acute myeloblastic leukemia (AML) and multiple myeloma (MM) in both RNAi-based and chemical genomic-based high-throughput screening. The overall objective is to identify one or more specific inhibitors of GSK-3 alpha with micromolar potency. Such compounds will become probes wi... aid2650.table aid2650.tbin
2651 21 Assay Provider: P. Jeffery Conn Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of novel allosteric modulators of the M1 Muscarinic receptor Grant Number: 1 R03 MH077606-01 Selective M1 activation is an attractive therapeutic approach for the treatment of cognitive impairment, Alzheimer's disease, schizophrenia and a number of other CNS disorders. Until recently, no highly selective M1 activators existed, and those that claimed to be highly M1 selective were either not ... aid2651.table aid2651.tbin
2653 193 NIH Chemical Genomics Center [NCGC] Matthew G. Vander Heiden, M.D., Ph.D. [Harvard Medical School, 77 Avenue Louis Pasteur, Boston, MA 02115] MLPCN Grant: 1 R03 MH085679-01 NCGC Assay Overview: We have identified a series of activators of the M2 isoform of human pyruvate kinase. The assay described here examines the cytotoxicity of these compounds by measuring the total ATP content of Hela cells after 24 hrs of exposure to compound. aid2653.table aid2653.tbin
2654 86 Name: Dose response of Retigabine-insensitive compounds that potentiate KCNQ2 potassium channel BioAssay Type: Confirmatory, Concentration-Response Relationship Observed Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening Center PI: Min Li, Ph.D. Assay Provider: Min Li, Ph.D. Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R03 DA027716-01 Grant Proposal PI: ... aid2654.table aid2654.tbin
2655 2 Keywords: Platelet, activation, SFLLRN, PAR1, actin, phalloidin Assay Overview: Cell-based assay for measurement of actin polymerization in response to SFLLRN-induced platelet activation. Platelets were obtained from individual donors, gel-filtered, and treated with DMSO (neutral control) or compounds (10 uM) that did not induce elevation of cAMP in platelets as measured in a cAMP assay. Following incubation with compounds, platelets were either treated or not treated with the thrombin rece... aid2655.table aid2655.tbin
2656 7 Keywords: Platelets, dense granule secretion, serotonin, SFLLRN, PAR1 Assay Overview: Cell-based assay for measuring specific dense granule release induced by SFLLRN-mediated platelet activation. Compounds showing no activity (inhibition) in a thrombin receptor-activating peptide SFLLRN-induced P-selectin expression assay (AID 2518) were tested for ability to inhibit release of serotonin, a specific component of platelet dense granules, induced by activation with the PAR1-activating peptide SF... aid2656.table aid2656.tbin
2657 2 Keywords: Platelet, activation, SFLLRN, PAR1, actin, phalloidin Assay Overview: Cell-based assay for measurement of actin polymerization in response to SFLLRN-induced platelet activation. Platelets were obtained from individual donors, gel-filtered, and treated with DMSO (neutral control) or compounds (10 uM) that did not induce elevation of cAMP in platelets as measured in a cAMP assay. Following incubation with compounds, platelets were either treated or not treated with the thrombin rece... aid2657.table aid2657.tbin
2658 114 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Institute for Medical Research (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1 R03 MH084862-01 Assay Provider: Dr. Yuan Chen, Beckman Research Institute, City Of Hope, CA Protein modification by the SUMO (Small Ubiquitin-like MOdifier) family of proteins is an important post-translational modification that plays an essential role i... aid2658.table aid2658.tbin
2660 1280 NIH Molecular Libraries Probe Production Centers Network [MLPCN] NIH Chemical Genomics Center [NCGC] MLPCN Grant: NS059428-01 Assay Submitter (PI): Blenis, John; Hoffman, Greg; Harvard University NCGC Assay Overview: The mammalian target of rapamycin (mTOR) is an intracellular serine/threonine kinase Aberrant regulation of mTOR signaling plays a causative role in a number of human diseases, including cancer, benign tumors such as lymphangioleiomyomatosis (LAM) and Tuberous Sclerosis Complex (TS... aid2660.table aid2660.tbin
2661 321908 Primary Collaborators: Robert Gould,Broad Institute,Cambridge, MA,rgould@broainstitute.org,617.714.7220, Keywords: STK33 Kinase, Non-ATP Competitive Inhibitor Assay Overview: Purified STK33 Kinase is pre-incubated with potential inhibitors and allowed to phosphorylate MBP at ~ 1.5 Km ATP. Kinase activity is measured using the ADP Glo Kit (Promega) which converts ADP reaction product into a luminescent signal. Expected Outcome: Inhibitors of STK33 Kinase will cause a decreased luminescent read... aid2661.table aid2661.tbin
2662 294978 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Probe Production centers Network [MLPCN] MLPCN Grant: DA027717-01A1 Assay Submitter (PI): John Bushweller NCGC Assay Overview: The MLL (Mixed Lineage Luekemia) gene is involved in chromosomal translocation that results in either acute lymphoid leukemia (ALL) or acute myeloid leukemia (AML). Chromasomal translocation of MLL gene is responsible for the fusion of N-terminal MLL to more than 60 different partner genes in frame. Many of t... aid2662.table aid2662.tbin
2663 32 NIH Molecular Libraries Probe Production Network [MLPCN] NIH Chemical Genomics Center [NCGC] MLPCN Grant: 1 R03 MH083257-01 Assay Provider: Barry Coller, Rockefeller University NCGC Assay Overview: The alphaIIbbeta3 receptor plays a vital role in hemostasis and thrombosis, where receptor deficiency causes the hemorrhagic disorder, Glanzmann thrombasthenia, and uncontrolled receptor activation causes thrombosis and blood vessel occlusion. Small molecule inhibitors of alphaIIbbeta3, tirofiban an... aid2663.table aid2663.tbin
2664 14 Data Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Gary Bokoch, TSRI Network: Molecular Libraries Probe Production Center Network (MLPCN) Grant Proposal Number: 1 R03 MH083264-01A1 Grant Proposal PI: Gary Bokoch, TSRI External Assay ID: NOX1_INH_LUMI_384_3XIC50_Synthesized Analogs Name: Late-stage luminescence-based cell-based dose response assay to identify inhibitors of NAD... aid2664.table aid2664.tbin
2665 114 Assigned Assay Grant Number: MH077606-1 Screening Center Name & PI: Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters, C. David Weaver Chemistry Center Name & PI: Vanderbilt Specialized Chemistry Center for Accelerated Probe Development, Craig W. Lindsley Assay Submitter & Institution: P. Jeffrey Conn, Vanderbilt University Muscarinic acetylcholine receptors are family A GPCRs comprised of five distinct mammalian subtypes (mAChR1-5 or M1-M5), which are expressed differentiall... aid2665.table aid2665.tbin
2666 1280 NIH Molecular Libraries Probe Production Centers Network [MLPCN] NIH Chemical Genomics Center [NCGC] MLPCN Grant: NS059428-01 Assay Submitter (PI): Blenis, John; Hoffman, Greg; Harvard University NCGC Assay Overview: Thee mammalian target of rapamycin (mTOR) is an intracellular serine/threonine kinase Aberrant regulation of mTOR signaling plays a causative role in a number of human diseases, including cancer, benign tumors such as lymphangioleiomyomatosis (LAM) and Tuberous Sclerosis Complex (T... aid2666.table aid2666.tbin
2667 1280 NIH Molecular Libraries Probe Production Centers Network [MLPCN] NIH Chemical Genomics Center [NCGC] MLPCN Grant: NS059428-01 Assay Submitter (PI): Blenis, John; Hoffman, Greg; Harvard University NCGC Assay Overview: The mammalian target of rapamycin (mTOR) is an intracellular serine/threonine kinase Aberrant regulation of mTOR signaling plays a causative role in a number of human diseases, including cancer, benign tumors such as lymphangioleiomyomatosis (LAM) and Tuberous Sclerosis Complex (TSC... aid2667.table aid2667.tbin
2668 1280 NIH Molecular Libraries Probe Production Centers Network [MLPCN] NIH Chemical Genomics Center [NCGC] MLPCN Grant: NS059428-01 Assay Submitter (PI): Blenis, John; Hoffman, Greg; Harvard University NCGC Assay Overview: The mammalian target of rapamycin (mTOR) is an intracellular serine/threonine kinase Aberrant regulation of mTOR signaling plays a causative role in a number of human diseases, including cancer, benign tumors such as lymphangioleiomyomatosis (LAM) and Tuberous Sclerosis Complex (TSC... aid2668.table aid2668.tbin
2669 198 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Probe Production centers Network [MLPCN] MLPCN Grant: MH084839-01A1 Assay Submitter (PI): Wei Zheng NCGC Assay Overview: Huntington's disease is a neurodegenerative disorder caused by a trinucleotide repeat expansion in Exon 1 of the Huntingtin gene. The CAG trinucleotide encodes glutamine and polyglutamine expansions cause cell death in selective areas of the brain. Huntington polyglutamine repeats have the tendency to form aggregate... aid2669.table aid2669.tbin
2670 5 Project ID: 2023 Keywords: alpha-synuclein, Parkinson's disease, translation, RNA stem-loop, 5'-untranslated region Primary Collaborators: Jack T. Rogers, Mass General Hospital, jtrogers@rics.bwh.harvard.edu, 617-726-8838, Charlestown, MA Project Overview: The goal of this project is to identify novel small molecule probes that increase alpha-synuclein translational expression in dopaminergic neurons by targeting the 5'-untranslated region (5'UTR) stem-loop of alpha-synuclein as a novel probe... aid2670.table aid2670.tbin
2671 142 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Probe Production Centers Network [MLPCN] MLPCN Grant: MH086442-01 Assay Submitter (PI): Wei Zheng Glucocerebrosidase (GC) catalyzes the hydrolysis of beta-glucocerebroside to glucose and ceramide in lysosomes. Mutations in the glucocerebrosidase gene result in Gaucher disease, an autosomal recessive lysosomal storage disorder. Many of the mutations encountered in patients with Gaucher disease are missense alterations that may cause mis... aid2671.table aid2671.tbin
2672 47 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Probe Production centers Network [MLPCN] MLPCN Grant: MH084839-01A1 Assay Submitter (PI): Wei Zheng NCGC Assay Overview: Huntington's disease is a neurodegenerative disorder caused by a trinucleotide repeat expansion in Exon 1 of the Huntingtin gene. The CAG trinucleotide encodes glutamine and polyglutamine expansions cause cell death in selective areas of the brain. Huntington polyglutamine repeats have the tendency to form aggregate... aid2672.table aid2672.tbin
2673 137 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Probe Production centers Network [MLPCN] MLPCN Grant: MH084839-01A1 Assay Submitter (PI): Wei Zheng NCGC Assay Overview: Huntington's disease is a neurodegenerative disorder caused by a trinucleotide repeat expansion in Exon 1 of the Huntingtin gene. The CAG trinucleotide encodes glutamine and polyglutamine expansions cause cell death in selective areas of the brain. Huntington polyglutamine repeats have the tendency to form aggregate... aid2673.table aid2673.tbin
2674 1993 University of New Mexico Assay Overview: Assay Support Project Title:HTS for Identification of VLA-4 Allosteric Modulators 1 R01 HL081062-01 PI:Larry Sklar PhD and Alex Chigaev PhD Assay Implementation: Peter Simons PhD, Susan Young MS, Yang Wu PhD, Terry Foutz, Stephanie Sedillo, Anna Waller PhD, Mark Carter MS Assay Background and Significance: We have developed a novel ligand induced binding site (LIBS) mAb assay for integrin HTS using phycoerythrin (PE) labeled HUTS-21 mAb. The nove... aid2674.table aid2674.tbin
2675 279988 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Probe Production Centers Network [MLPCN] MLPCN Grant: R03 MH087421-01 Assay Submitter (PI): Charles Thornton NCGC Assay Overview: Expanded CTG repeats in the 3' untranslated region of the DM protein kinase (DMPK) gene causes type I myotonic dystrophy (DM1). DM1 is a multi-systemic disease with a prevalence of 1/7000. Clinical features include myotonia, progressive muscle weakness and wasting, cardiac arrhythmia, insulin resistance, hy... aid2675.table aid2675.tbin
2676 365410 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Probe Production Centers Network [MLPCN] MLPCN Grant: R03 MH085705-01A1 Assay Submitter (PI): Alexander Agoulnik NCGC Assay Overview: The relaxin hormone is involved in the variety of biological functions in normal tissues and diseases. The role of relaxin is well-established in female reproduction and parturition, mammary gland and endometrial development, maintenance of myometrial quiescence during pregnancy. Relaxin signaling throu... aid2676.table aid2676.tbin
2677 140 The fine interplay among methylation states of several lysine residues on the tails of histone proteins is a major determinant of the transcriptional state of the associated DNA coding regions and is commonly referred to as the histone code. Histone lysine demethylases catalyze the removal of methyl groups from methylated lysine sidechains on histones H3 and H4, thus antagonizing the reactions catalyzed by histone lysine methyltransferases. The quest to define the biological roles of the multiple... aid2677.table aid2677.tbin
2678 55 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: XO1 MH077603-01 Assay Provider: Dr. Tomas Mustelin, Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Protein tyrosine phosphatases (PTPs), working with protein tyrosine kinases (PTKs), control the phosphorylation state of many proteins in the ... aid2678.table aid2678.tbin
2679 10 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: XO1 MH076390-01 Assay Provider: Dr. John Lazo, University of Pittsburg This MKP-3 dose response assay is developed and performed for the purpose of SAR study on analogs of hits originally identified in the MKP-3 in vitro HTS assay (AID 425) MKP-3 (mitogen-act... aid2679.table aid2679.tbin
2680 140 This assay is a counterscreen for a related assay for inhibitors of JMJD2E. See AID 2147 for details. The JMJD2E assay utilized an FDH-coupled protocol. To screen for false positive results in the primary assay due to inhibition of the formaldehyde dehydrogenase coupled enzyme, an FDH-only assay was run using FDH as the enzyme (0.000025 U/uL final concentration) and 10 uM formaldehyde and 0.25 mM NAD+ as the substrate, and following the same fluidic protocol as described in AID 2147 for the coup... aid2680.table aid2680.tbin
2682 34 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1R21NS056945-01 Assay Provider: Dr. Nunzio Bottini, La Jolla Institute for Allergy and Immunology LYP, is a lymphocyte specific protein tyrosine phosphatase that plays a critical regulatory role in T cell receptor signaling. The PTPN22 gene encodes this phosph... aid2682.table aid2682.tbin
2683 8 Keywords: mRNA maturation, polyadenylation, reporter gene assay, yeast, gene expression Assay: This is a dose response of the primary screening asssay. Yeast which harbor a reporter construct will be screened for elevated levels of beta-galactosidase activity using the luminescent signal from the GalScreen assay. Briefly, cells are lysed after incubation with compounds using the GalScreen reagent and then the luminescent signal is read on a plate reader. Expected Outcome: Compounds which pe... aid2683.table aid2683.tbin
2684 84 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1 R03 MH084230-01A1 Assay Provider: Dr. Lutz Tautz, Sanford-Burnham Medical Research Institute, San Diego CA Protein tyrosine phosphatases (PTPs) play vital roles in numerous cellular processes and are implicated in a growing number of human diseases, ranging ... aid2684.table aid2684.tbin
2685 321194 NIH Molecular Libraries Probe Production Centers Network [MLPCN] NIH Chemical Genomics Center [NCGC] MLPCN Grant: 1 R03 MH085686-01 Assay Submitter (PI): Beller, Mathias; Max-Planck-Institut fur Biophysikalische Chemie NCGC Assay Overview: Storing lipids as a reservoir for energy or the anabolism of elementary metabolites is a common feature of probably all cells and is conserved from bacteria to humans. The universal cellular lipid storage organelle is the so-called lipid storage droplet (LD)... aid2685.table aid2685.tbin
2686 34 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1R21NS056945-01 Assay Provider: Dr. Nunzio Bottini, La Jolla Institute for Allergy and Immunology CA LYP, is a lymphocyte specific protein tyrosine phosphatase that plays a critical regulatory role in T cell receptor signaling. The PTPN22 gene encodes this ph... aid2686.table aid2686.tbin
2687 4 The fine interplay among methylation states of several lysine residues on the tails of histone proteins is a major determinant of the transcriptional state of the associated DNA coding regions and is commonly referred to as the histone code. Histone lysine demethylases catalyze the removal of methyl groups from methylated lysine sidechains on histones H3 and H4, thus antagonizing the reactions catalyzed by histone lysine methyltransferases. The quest to define the biological roles of the multiple... aid2687.table aid2687.tbin
2688 44 The fine interplay among methylation states of several lysine residues on the tails of histone proteins is a major determinant of the transcriptional state of the associated DNA coding regions and is commonly referred to as the histone code. Histone lysine demethylases catalyze the removal of methyl groups from methylated lysine sidechains on histones H3 and H4, thus antagonizing the reactions catalyzed by histone lysine methyltransferases. The quest to define the biological roles of the multiple... aid2688.table aid2688.tbin
2689 2 Keywords: Serine Threonine Kinase Inhibitor, STK33 Primary Collaborators: Robert Gould, Broad Institute, rgould@broainstitute.org, , 617.714.7220, Cambridge, MA Biological Relevance: The RAS family of small GTPases comprises a set of highly regulated switches controlling several cellular signal transduction pathways and networks important for growth, cytoskeletal rearrangements, adhesion, motility, viability, and differentiation. Deregulated, constitutively active, mutant RAS proteins are e... aid2689.table aid2689.tbin
2690 328943 University of New Mexico Assay Overview: Assay Support: 1 R03 MH087439-01 Project Title: A yeast HTS for caloric restriction mimetics that inhibit age-related superoxide PI: William C. Burhans, Ph.D. Assay Implementation: Catherine Prudom Ph.D., Chris Allen Ph.D., Anna Waller Ph.D, Mark Carter MS Assay technical support: Travis Houston, Keon Ahghar, Stephanie Sedillo Assay Background and Significance: Reactive oxygen species (ROS) and activation of growth signaling pathways are important... aid2690.table aid2690.tbin
2691 18 Keywords: Mammalian cellular toxicity assay, NIH 3T3, Alamar Blue Assay Overview: NIH 3T3 cells are grown in the presence of compounds that are potential polyadenylation inhibitors. Alamar blue is used to measure viability after three days of culture. Expected Outcome: Compounds that are toxic or inhibit polyadenylation in mammalian cells will lead to a lower signal in a dose dependent manner. aid2691.table aid2691.tbin
2692 3 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Stefan Heller, Stanford University Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R03 MH083077-01 Grant Proposal PI: Stefan Heller, Stanford University External Assay ID: TRPN1_AG_PATCH-CLAMP LATE STAGE Counterscreen Name: Late stage counterscreen results from the probe development ... aid2692.table aid2692.tbin
2693 18 Keywords: Minimal Inhibitory Concentration, Alamar Blue, S. cerevisiea Assay Overview: Determination of the Minimal Inhibitory Concentration (MIC) of polyadenylation inhibitors in S. cerevisiea using an alamar blue viability assay Expected Outcome: Active compounds will be toxic or prevent growth of yeast at some concentration. To rank the relative toxicity against the S. cerevisiea HTS screening line (SKY197-pL101), the MIC is determined. It is observed as a loss of fluorescence in the alama... aid2693.table aid2693.tbin
2694 3 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Stefan Heller, Stanford University Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R03 MH083077-01 Grant Proposal PI: Stefan Heller, Stanford University External Assay ID: TRPML3-SELECTIVE_AG_PATCH-CLAMP LATE STAGE Name: Late stage results from the probe development effort to identif... aid2694.table aid2694.tbin
2695 18 Keywords: Minimal Inhibitory Concentration, Alamar Blue, C. albicans Assay Overview: Determination of the Minimal Inhibitory Concentration (MIC) of polyadenylation inhibitors in C. albicans SC5314 (ATCC #MYA-2876) using an alamar blue viability assay. Expected Outcome: Active compounds will be toxic or prevent growth of yeast at some concentration. To rank the relative toxicity against the C. albicans, the MIC is determined. It is observed as a loss of fluorescence in the alamar blue assay.... aid2695.table aid2695.tbin
2696 900 Data Source: Johns Hopkins Ion Channel Center (JHICC) BioAssay Type: Confirmatory, Concentration-Response Relationship Observed Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening Center PI: Min Li, Ph.D. Assay Provider: Mike Zhu Ph.D., Ohio State University Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R21 NS056942-01 Grant Proposal PI: Mike Zhu Ph.D. Assa... aid2696.table aid2696.tbin
2701 384 The covalent attachment of a phosphopantetheinyl (4'-PP) arm to a variety of synthases and other proteins is a key posttranslational protein modification. The 4'-PP is installed on the proteins post-translationally from coenzyme A (CoA) on a conserved serine residue by action of phosphopantetheinyl transferase (PPTase) enzymes. Phosphopantetheinylation is essential for synthase activity, and removal of the PPTase gene precludes natural product synthesis in microorganisms, or in the case of fatty ... aid2701.table aid2701.tbin
2702 7 Human lipoxygenase 15hLO-2 is a member of the closely related lipoxygenase family of enzymes which catalyze the site-specific oxidation of arachidonic acid to various hormone precursor molecules and as such is a candidate for drug development in a variety of disease areas, such as cancer and inflammation. Inhibition of 15hLO-2 activity was screened by utilizing arachidonic acid as a substrate. The extent of hydroperoxide product formation was measured by a secondary chromogenic reaction in which ... aid2702.table aid2702.tbin
2704 7 Keywords: mRNA maturation, polyadenylation Primary Collaborators(and laboratory where this assay was performed): Claire Moore, Tufts Medical Center, 136 Harrison Ave, Boston, MA 02111 claire.moore@tufts.edu, 617-636-6935 Assay Overview: Radioactive GAL7 RNA is used as a polyadenylation substrate for nuclear extracts exposed to various concentrations of compounds of interest. The radiolabeled reaction product (the band associated with GAL7-polyA) is separated on a gel and quantitiated by imagi... aid2704.table aid2704.tbin
2705 101 NIH Molecular Libraries Probe Production Centers Network [MLPCN] NIH Chemical Genomics Center [NCGC] MLSCN Grant: 1R03MH084827-01 PI Name: Tom Misteli NCGC Assay Overview: The CMGC group of protein kinases which includes CDK-like kinases (Clk) and Dyks are essential kinases found in all eukaryotes. Clks have been implicated to play a role in the regulation of alternative splicing [1]; while Dyrks, in particular over expression of Dyrk1A, has been linked to diseases as Down syndrome (DS; OMIM 19... aid2705.table aid2705.tbin
2706 1953 University of New Mexico Assay Overview: Assay Support: 1 R03 MH087439-01 Project Title: A yeast HTS for caloric restriction mimetics that inhibit age-related superoxide PI: William C. Burhans, Ph.D. Assay Implementation: Catherine Prudom Ph.D., Chris Allen Ph.D., Anna Waller Ph.D, Mark Carter MS Assay technical support: Travis Houston, Keon Ahghar, Stephanie Sedillo Assay Background and Significance: Reactive oxygen species (ROS) and activation of growth signaling pathways are important... aid2706.table aid2706.tbin
2707 210 The covalent attachment of a phosphopantetheinyl (4'-PP) arm to a variety of synthases and other proteins is a key posttranslational protein modification. The 4'-PP is installed on the proteins post-translationally from coenzyme A (CoA) on a conserved serine residue by action of phosphopantetheinyl transferase (PPTase) enzymes. Phosphopantetheinylation is essential for synthase activity, and removal of the PPTase gene precludes natural product synthesis in microorganisms, or in the case of fatty ... aid2707.table aid2707.tbin
2708 610 Survival of cells and the faithful propagation of the genome depend on elaborate mechanisms of detecting and repairing DNA damage. Treatment of advanced cancer relies on radiation therapy or chemotherapy, which kill cancer cells by causing extensive DNA damage. It is often found, that cancer cells develop resistance to therapy through enhanced activity of DNA repair functions; this has led to an increased interest in developing drugs that interfere with DNA repair, which could sensitize cancer ce... aid2708.table aid2708.tbin
2710 28 NIH Molecular Libraries Probe Production Centers Network [MLPCN] NIH Chemical Genomics Center [NCGC] MLSCN Grant: 1R03MH084827-01 Assay Submitter (PI): Tom Misteli NCGC Assay Overview: Alternative splicing of pre-mRNAs plays a major role in the regulation of eukaryotic gene expression. Alternative splicing is now thought to be one of the primary reasons for the complexity of higher organisms leading to an average of three protein isoforms per gene. Aberrant splicing can lead to a number of dise... aid2710.table aid2710.tbin
2711 534 In order to gain further insight into the mode of action of the RECQ1 screening hits, we have profiled them in a set of miniaturized fluorescence polarization assays designed to report on compounds which competitively displace either co-substrate (ATP or DNA). The appropriate fluorescently-labeled probe was used: BODIPY Texas Red-labeled ADP was expected to be competed off by ATP-competitive inhibitors, while single-TAMRA labeled forked-duplex or short single-stranded DNA molecules served as prob... aid2711.table aid2711.tbin
2712 534 In order to gain further insight into the mode of action of the BLMAscreening hits, we have profiled them in a set of miniaturized fluorescence polarization assays designed to report on compounds which competitively displace either co-substrate (ATP or DNA). The appropriate fluorescently-labeled probe was used: BODIPY Texas Red-labeled ADP was expected to be competed off by ATP-competitive inhibitors, while single-TAMRA labeled forked-duplex or short single-stranded DNA molecules served as probes... aid2712.table aid2712.tbin
2713 5 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Probe Production centers Network [MLPCN] MLPCN Grant: MH084839-01A1 Assay Submitter (PI): Wei Zheng NCGC Assay Overview: Huntington's disease is a neurodegenerative disorder caused by a trinucleotide repeat expansion in Exon 1 of the Huntingtin gene. The CAG trinucleotide encodes glutamine and polyglutamine expansions cause cell death in selective areas of the brain. Huntington polyglutamine repeats have the tendency to form aggregate... aid2713.table aid2713.tbin
2716 318770 Keywords: SUMO, Ubiquitin Primary Collaborators: Gregory Prelich, Albert Einstein College of Medicine of Yeshiva University, gregory.prelich@einstein.ny.edu, 718-430-2181 Assay Overview: Luciferase assay (Bactiter-Glo, Promega). Primary screen using a yeast (S.Cerevisiae) temperature-sensitive mutant of the transcription factor MOT1 (Mot1-301) to selectively identify small molecules inhibitors of the SUMO pathway. The small molecules induce yeast growth at high temperature (38.5C) by interfe... aid2716.table aid2716.tbin
2717 300718 Keywords: Breast Cancer Stem Cells Assay Overview: The objective of the experiments in this proposal is to identify compounds that can selectively kill breast cancer stem cells (CSCs). The HMLE cell line suppressing E-Cadherin expression (HMLE_sh_ECad) is a stable cell line that has been induced into epithelial-to-mesenchymal transdifferentiation (EMT). This cell line was used to represent a uniform population of CSCs. Two thousand HMLE_sh_ECAD were plated in 50 uL of media in each well and c... aid2717.table aid2717.tbin
2718 318388 Keywords: histone deacetylase, HDAC3, epigenetics Assay Overview: HDAC3 is incubated with compounds for 10 minutes before addition of a coumarin-linked tripeptide substrate containing a terminal acetylated lysine, and trypsin. If HDAC3 is not inhibited it will deacetylate the substrate, which renders the peptide a substrate for trypsin. Trypsin can then liberate the coumarin, increasing fluorescence Expected Outcome: HDAC3 inhibitors will prevent deacetylation of the peptide substrate, render... aid2718.table aid2718.tbin
2719 3 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Stefan Heller, Stanford University Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R03 MH083077-01 Grant Proposal PI: Stefan Heller, Stanford University External Assay ID: TRPML3_AG_FURA-2 LATE STAGE Name: Late stage results from the probe development effort to identify selective ago... aid2719.table aid2719.tbin
2721 4 Keywords: Breast Cancer Stem Cells Primary Collaborators: Pyush Gupta, Broad Institute, Cambridge, MA, piyush@broadinstitute.org, 617-714-7498 Eric Lander, Broad Institute, Cambridge, MA, lander@broadinstitute.org Biological Relevance: Cancer stem cells (CSCs), which drive tumor growth, are known to be resistant to standard chemotherapy and radiation treatment. This raises a very significant unmet need to find therapies that can target CSCs within tumors, since these cells are responsible for r... aid2721.table aid2721.tbin
2723 7 Keywords: Quorum Sensing,Auto-inducer 2(AI-2),Vibrio harveyi,LuxS,LuxPQ,LuxO,LuxU,luciferase,Luminescence Assay Overview: A modified strain of Vibrio harveyi with constitutive on quorum sensing system will be exposed to small molecules identified from the HTS screen used to identify LuxS inhibitors and LuxPQ antagonists. Growth of the organism post exposure will be followed using optical density and disruption of down stream quorum sensing elements will be observed based on decreased luminesc... aid2723.table aid2723.tbin
2724 7 Keywords: Quorum Sensing, Auto-inducer 2 (AI-2), Vibrio harveyi, LuxS, LuxPQ, Luminescence Assay Overview: A modified strain of Vibrio harveyi with only the AI-2 quorum sensing system intact will be exposed to small molecules. Growth of the organism post exposure will be followed using optical density and disruption of quorum sensing will be observed based on decreased luminescent signal. Expected Outcome: Identification of AI-2 quorum sensing system inhibitors with modes of action which eit... aid2724.table aid2724.tbin
2725 7 Keywords: Quorum Sensing, Auto-inducer 2 (AI-2), Vibrio harveyi, LuxS, LuxPQ, Luminescence Assay Overview: A modified strain of Vibrio harveyi with only the AI-2 quorum sensing system intact will be exposed to small molecules. Growth of the organism post exposure will be followed using optical density and disruption of quorum sensing will be observed based on decreased luminescent signal. Expected Outcome: Identification of AI-2 quorum sensing system inhibitors with modes of action which eit... aid2725.table aid2725.tbin
2726 749 Keywords: Quorum Sensing, Auto-inducer 2 (AI-2), Vibrio harveyi, LuxS, LuxPQ, Luminescence Assay Overview: A modified strain of Vibrio harveyi with only the AI-2 quorum sensing system intact will be exposed to small molecules. Growth of the organism post exposure will be followed using optical density and disruption of quorum sensing will be observed based on decreased luminescent signal. Expected Outcome: Identification of AI-2 quorum sensing system inhibitors with modes of action which eit... aid2726.table aid2726.tbin
2727 749 Keywords: Quorum Sensing, Auto-inducer 2 (AI-2),Vibrio harveyi,LuxS,LuxPQ,LuxO,LuxU,LuxR,luciferase,Luminescence Assay Overview: A modified strain of Vibrio harveyi with constitutive on quorum sensing system will be exposed to small molecules identified from the HTS screen used to identify LuxS inhibitors and LuxPQ antagonists. Growth of the organism post exposure will be followed using optical density and disruption of down stream quorum sensing elements will be observed based on decreased l... aid2727.table aid2727.tbin
2728 749 Keywords: Quorum Sensing, Auto-inducer 2 (AI-2), Vibrio harveyi, LuxS, LuxPQ, LuxO, LuxU,LuxR, luciferase, Luminescense Assay Overview: A modified strain of Vibrio harveyi with constitutive on quorum sensing system will be exposed to small molecules identified from the HTS screen used to identify LuxS inhibitors and LuxPQ antagonists. Growth of the organism post exposure will be followed using optical density and disruption of down stream quorum sensing elements will be observed based on decr... aid2728.table aid2728.tbin
2729 119 High Content Assay for Compounds that inhibit the Assembly of the Perinucleolar Compartment NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Probe Centers Network [MLPCN] MLPCN Grant: MH082371-01A2 Assay Submitter (PI): Sui Huang, Northwestern University, Feinberg School of Medicine, Cell and Molecular Biology, Chicago, Illinois. The perinucleolar compartment (PNC) is a non-membrane-bound nuclear subdomain that is associated with but structurally distinct from the nucleolus. The PNC ... aid2729.table aid2729.tbin
2730 119 High Content Assay for Compounds that inhibit the Assembly of the Perinucleolar Compartment NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Probe Centers Network [MLPCN] MLPCN Grant: MH082371-01A2 Assay Submitter (PI): Sui Huang, Northwestern University, Feinberg School of Medicine, Cell and Molecular Biology, Chicago, Illinois. The perinucleolar compartment (PNC) is a non-membrane-bound nuclear subdomain that is associated with but structurally distinct from the nucleolus. The PNC ... aid2730.table aid2730.tbin
2731 119 High Content Assay for Compounds that inhibit the Assembly of the Perinucleolar Compartment NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Probe Centers Network [MLPCN] MLPCN Grant: MH082371-01A2 Assay Submitter (PI): Sui Huang, Northwestern University, Feinberg School of Medicine, Cell and Molecular Biology, Chicago, Illinois. The perinucleolar compartment (PNC) is a non-membrane-bound nuclear subdomain that is associated with but structurally distinct from the nucleolus. The PNC ... aid2731.table aid2731.tbin
2732 219165 NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, University of Michigan MLSCN Grant: R03MH084182-01, U54HG003918 Many genetic and environmental diseases result from defective protein folding within the secretory pathway so that aberrantly folded proteins are recognized by the cellular surveillance system and retained within the endoplasmic reticulum (ER). Under conditions of malfolded protein accumulati... aid2732.table aid2732.tbin
2733 119 High Content Assay for Compounds that inhibit the Assembly of the Perinucleolar Compartment NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Probe Centers Network [MLPCN] MLPCN Grant: MH082371-01A2 Assay Submitter (PI): Sui Huang, Northwestern University, Feinberg School of Medicine, Cell and Molecular Biology, Chicago, Illinois. The perinucleolar compartment (PNC) is a non-membrane-bound nuclear subdomain that is associated with but structurally distinct from the nucleolus. The PNC ... aid2733.table aid2733.tbin
2734 119 High Content Assay for Compounds that inhibit the Assembly of the Perinucleolar Compartment NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Probe Centers Network [MLPCN] MLPCN Grant: MH082371-01A2 Assay Submitter (PI): Sui Huang, Northwestern University, Feinberg School of Medicine, Cell and Molecular Biology, Chicago, Illinois. The perinucleolar compartment (PNC) is a non-membrane-bound nuclear subdomain that is associated with but structurally distinct from the nucleolus. The PNC ... aid2734.table aid2734.tbin
2735 7 Keywords: Quorum Sensing, Auto-inducer 2 (AI-2), Vibrio harveyi, LuxS,LuxPQ,LuxO,LuxU,LuxR,luciferase,Luminescence Assay Overview: A modified strain of Vibrio harveyi with constitutive on quorum sensing system will be exposed to small molecules identified from the HTS screen used to identify LuxS inhibitors and LuxPQ antagonists. Growth of the organism post exposure will be followed using optical density and disruption of down stream quorum sensing elements will be observed based on decreased ... aid2735.table aid2735.tbin
2736 749 Keywords: Quorum Sensing, Auto-inducer 2 (AI-2), Vibrio harveyi, LuxS, LuxPQ, Luminescense Assay Overview: A modified strain of Vibrio harveyi with only the AI-2 quorum sensing system intact will be exposed to small molecules. Growth of the organism post exposure will be followed using optical density and disruption of quorum sensing will be observed based on decreased luminescent signal. Expected Outcome: Identification of AI-2 quorum sensing system inhibitors with modes of action which eit... aid2736.table aid2736.tbin
2737 2 Cruzain is a cysteine protease from the tropical parasite Trypanosoma cruzi. This assay protocol is for follow-up Ki determination of cruzain inhibitors of interest. Cruzain inhibition was determined using a competitive binding assay. See following references for additional details: Jadhav A, et al. J Med Chem. 2010 Jan 14;53(1):37-51. Mott BT, et al. J Med Chem. 2010 Jan 14;53(1):52-60. Assay Provider: Shoichet, Brian; University of California, San Fancisco Screening Center PI: Austin, C.P. S... aid2737.table aid2737.tbin
2738 28 Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interaction, gene regulation, MEX-5, POS-1, embryonic development Primary Collaborators: Sean Ryder, U. Mass Medical School, sean.ryder@umassmed.edu Project Overview: In most organisms, the body axes and founding tissue types are formed prior to the onset of zygotic transcription. Thus, post-transcriptional regulation of maternal transcripts by maternally s... aid2738.table aid2738.tbin
2739 28 Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interaction, gene regulation, MEX-5, POS-1, embryonic development Primary Collaborators: Sean Ryder, U. Mass Medical School, sean.ryder@umassmed.edu Project Overview: In most organisms, the body axes and founding tissue types are formed prior to the onset of zygotic transcription. Thus, post-transcriptional regulation of maternal transcripts by maternally s... aid2739.table aid2739.tbin
2740 613 University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. cerevisiae PI: Maggie Werner-Washburne Center PI: Larry Sklar Assay Implementation: Jun Chen, Chris Allen, Susan Young, Anna Waller, Mark Carter Assay Background and Significance: The target of rapamycin, TOR, is a ser/thr protein kinase evolutionarily conserved from yeast to man [Wullschleger, et al. 2006]. TOR functions in two distinct protein... aid2740.table aid2740.tbin
2741 389 In order to distinguish true inhibitors of DNA-processing enzymes from promiscuous DNA-binding compounds among screening assay hits, we developed a homogeneous and miniaturized assay based on fluorescent dye displacement test as originally described by Tse and Boger (Accounts of Chemical Research (2004) 37: 61-69). The assay is based on the strong enhancement of fluorescence when Thiazole Orange (ThO) binds to double-stranded DNA: conversely, in the presence of a DNA-binding compound, Thiazole Or... aid2741.table aid2741.tbin
2742 613 University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. cerevisiae PI: Maggie Werner-Washburne Center PI: Larry Sklar Assay Implementation: Jun Chen, Chris Allen, Susan Young, Anna Waller, Mark Carter Assay Background and Significance: The target of rapamycin, TOR, is a ser/thr protein kinase evolutionarily conserved from yeast to man [Wullschleger, et al. 2006]. TOR functions in two distinct protein... aid2742.table aid2742.tbin
2743 613 University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. cerevisiae PI: Maggie Werner-Washburn Center PI: Larry Sklar Assay Implementation: Jun Chen, Chris Allen, Susan Young, Anna Waller, Mark Carter Assay Background and Significance: The target of rapamycin, TOR, is a ser/thr protein kinase evolutionarily conserved from yeast to man [Wullschleger, et al. 2006]. TOR functions in two distinct protein ... aid2743.table aid2743.tbin
2744 613 University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. cerevisiae PI: Maggie Werner-Washburne Center PI: Larry Sklar Assay Implementation: Jun Chen, Chris Allen, Susan Young, Anna Waller, Mark Carter Assay Background and Significance: The target of rapamycin, TOR, is a ser/thr protein kinase evolutionarily conserved from yeast to man [Wullschleger, et al. 2006]. TOR functions in two distinct protein... aid2744.table aid2744.tbin
2745 613 University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. cerevisiae PI: Maggie Werner-Washburn Center PI: Larry Sklar Assay Implementation: Jun Chen, Chris Allen, Susan Young, Anna Waller, Mark Carter Assay Background and Significance: The target of rapamycin, TOR, is a ser/thr protein kinase evolutionarily conserved from yeast to man [Wullschleger, et al. 2006]. TOR functions in two distinct protein ... aid2745.table aid2745.tbin
2747 10 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Robert Matts, Oklahoma State University Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 X01 MH083240-01 Grant Proposal PI: Robert Matts, Oklahoma State University External Assay ID: NATLUCI_INH_LUMI_1536_3XIC50 CSDRUN Late stage Name: Late stage counterscreen results from the probe d... aid2747.table aid2747.tbin
2748 10 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Robert Matts, Oklahoma State University Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 X01 MH083240-01 Grant Proposal PI: Robert Matts, Oklahoma State University External Assay ID: HSP90_INH_LUMI_1536_3XIC50 Late Stage Name: Late stage results from the probe development effort to id... aid2748.table aid2748.tbin
2749 24 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Vincent Yang, Emory University Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number 1-R03-DA026215-01 Grant Proposal PI: Vincent Yang External Assay ID: IEC6CYTOX_INH_LUMI_1536_3XIC50 CSDRUN SAR_Round 0 Name: Late stage counterscreen results from the probe development effort to identify inhibitors of kruppel-l... aid2749.table aid2749.tbin
2750 24 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Vincent Yang, Emory University Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number: 1-R03-DA026215-01 Grant Proposal PI: Vincent Yang External Assay ID: KLF5_INH_LUMI_1536_3X1C50 SAR_Round_0 Name: Late stage results from the probe development effort to identify inhibitors of kruppel-like factor 5 (KLF5): lumi... aid2750.table aid2750.tbin
2751 324858 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assay Provider: Alan Saghatelian, Harvard University Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 DP2 OD002374-01 Fast Track Grant Proposal PI: Alan Saghatelian, Harvard University External Assay ID: PREPL_INH_FP_1536_1X%INH Name: Fluorescence polarization-based primary biochemical high throughput screenin... aid2751.table aid2751.tbin
2752 12 Data Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Gary Bokoch, TSRI Network: Molecular Libraries Probe Production Center Network (MLPCN) Grant Proposal Number: 1 R03 MH083264-01A1 Grant Proposal PI: Gary Bokoch, TSRI External Assay ID: NOX1_INH_LUMI_384_3XIC50_Synthesized Analogs 2 Name: Late-stage luminescence-based cell-based dose response assay to identify inhibitors of N... aid2752.table aid2752.tbin
2753 241 Assay Provider: Jerod Denton Assay Provider Affiliation: Vanderbilt University Grant Title: High throughput discovery of novel modulators of ROMK K+ channel activity Grant Number: R21 NS057041-01 The Renal Outer Medullary Potassium channel (ROMK, Kir1.1) is expressed in the renal tubule where it critically regulates fluid and electrolyte homeostasis (Hebert, 2005). An emerging body of evidence suggests that ROMK could be a target for a novel class loop diuretic that lowers blood pressure while ... aid2753.table aid2753.tbin
2754 93 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Peter Hodder, TSRI Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R21 NS059451-01 Fast Track Grant Proposal PI: Peter Hodder, TSRI External Assay ID: VIM-2NITRO_INH_EPIABS_1536_3XIC50 COMMON Name: Epi-absorbance-based dose response assay for common IMP-1 and VIM-2 inhibitors: bioche... aid2754.table aid2754.tbin
2755 93 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Peter Hodder, TSRI Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R21 NS059451-01 Fast Track Grant Proposal PI: Peter Hodder, TSRI External Assay ID: TEM-1NITRO_INH_EPIABS_1536_3XIC50 COMMON CSDRUN Name: Epi-absorbance-based dose response assay for common IMP-1 and VIM-2 inhibitors:... aid2755.table aid2755.tbin
2756 93 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Peter Hodder, TSRI Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R21 NS059451-01 Fast Track Grant Proposal PI: Peter Hodder, TSRI External Assay ID: IMP-1NITRO_INH_EPIABS_1536_3XIC50 COMMON Name: Epi-absorbance-based dose response assay for common IMP-1 and VIM-2 inhibitors: bioche... aid2756.table aid2756.tbin
2757 613 University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. cerevisiae PI: Maggie Werner-Washburne Center PI: Larry Sklar Assay Implementation: Jun Chen, Chris Allen, Susan Young, Anna Waller, Mark Carter Assay Background and Significance: The target of rapamycin, TOR, is a ser/thr protein kinase evolutionarily conserved from yeast to man [Wullschleger, et al. 2006]. TOR functions in two distinct protein... aid2757.table aid2757.tbin
2758 125 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Konstantin Petrukhin, Columbia University Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R21 NS061718-01 Fast Track Grant Proposal PI: Konstantin Petrukhin, Columbia University External Assay ID: NR2E3_AG_TR-FRET_1536_3XIC50 Name: TR-FRET-based biochemical high throughput dose response assay for agoni... aid2758.table aid2758.tbin
2759 125 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Konstantin Petrukhin, Columbia University Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R21 NS061718-01 Fast Track Grant Proposal PI: Konstantin Petrukhin, Columbia University External Assay ID: PPARG-NCOR2_AG_TR-FRET_1536_3XIC50 CSDRUN Name: Counterscreen for agonists of nuclear receptor subfamily 2... aid2759.table aid2759.tbin
2761 142 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assay Provider: Sabine Ehrt, Weill Cornell Medical College Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number R01 AI081725-01 Fast Track Grant Proposal PI: Sabine Ehrt External Assay ID: RV3671C_INH_FP_1536_3X%INH CRUN Name: Fluorescence polarization-based biochemical high throughput confirmation assay for inhibito... aid2761.table aid2761.tbin
2762 250 NIH Molecular Libraries Probe Production Network [MLPCN] NIH Chemical Genomics Center [NCGC] MLPCN Grant: R03 DA026211-01 Assay Provider: Dan Littman, New York University Assay Overview: The retinoic acid-related orphan receptor (ROR) gamma is a transcription factor that has a central role in the differentiation of Th17 cells, a subset of T helper cells that secrete the inflammatory cytokines IL-17, IL-17F, and IL-22. Th17 cells have been implicated in graft versus host disease, autoimmune dis... aid2762.table aid2762.tbin
2763 250 NIH Molecular Libraries Probe Production Network [MLPCN] NIH Chemical Genomics Center [NCGC] MLPCN Grant: R03 DA026211-01 Assay Provider: Dan Littman, New York University Assay Overview: The retinoic acid-related orphan receptor (ROR) gamma is a transcription factor that has a central role in the differentiation of Th17 cells, a subset of T helper cells that secrete the inflammatory cytokines IL-17, IL-17F, and IL-22. Th17 cells have been implicated in graft versus host disease, autoimmune dis... aid2763.table aid2763.tbin
2764 311 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number: 1R21NS059422-01 Assay Provider: Dr. Layton Smith, Sanford-Burnham Medical Research Institute Currently there are no small molecule tools to investigate the biological functions of apelin and its receptor. Apelin is the endogenous peptide ligand for the G-protein coupled ... aid2764.table aid2764.tbin
2765 1065 Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Overview: The fate of cell survival versus apoptosis is determined by the balance of anti and pro-apoptotic proteins. Expression of activator BH3-only proteins, such as BIM or tBID, leads to downstream caspase activation and apoptosis. A1 can functionally bind to and sequester BIM or tBID. In this assay, the parental control cells do not depend on A1 ... aid2765.table aid2765.tbin
2766 948 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number: 1R21NS059422-01 Assay Provider: Dr. Layton Smith, Sanford-Burnham Medical Research Institute Currently there are no small molecule tools to investigate the biological functions of apelin and its receptor. Apelin is the endogenous peptide ligand for the G-protein coup... aid2766.table aid2766.tbin
2767 6 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Peter Hodder, TSRI Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R21 NS059451-01 Fast Track Grant Proposal PI: Peter Hodder, TSRI External Assay ID: TEM-1NITRO_INH_EPIABS_1536_3XIC50 COMMON MDCSRUN Round 0 SAR Name: Late stage counterscreen results from the probe development effort... aid2767.table aid2767.tbin
2768 6 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Peter Hodder, TSRI Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R21 NS059451-01 Fast Track Grant Proposal PI: Peter Hodder, TSRI External Assay ID: IMP-1NITRO_INH_EPIABS_1536_3XIC50 COMMON Round 0 SAR Name: Late stage results from the probe development effort to identify common IM... aid2768.table aid2768.tbin
2769 6 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Peter Hodder, TSRI Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R21 NS059451-01 Fast Track Grant Proposal PI: Peter Hodder, TSRI External Assay ID: VIM-2NITRO_INH_EPIABS_1536_3XIC50 COMMON Round 0 SAR Name: Late stage results from the probe development effort to identify common IM... aid2769.table aid2769.tbin
2770 3 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Stefan Heller, Stanford University Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R03 MH083077-01 Grant Proposal PI: Stefan Heller , Stanford University External Assay ID: TRP_AG_FURA-2 SAR_Round_1 Name: Late stage counterscreen results from the probe development effort to identify ... aid2770.table aid2770.tbin
2771 54 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: David Frank, Dana Farber Cancer Institute Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 X01 MH079826-01 Grant Proposal PI: David Frank, Dana Farber Cancer Institute External Assay ID: STAT3_INH_LUMI_1536_IC50 MDCSRUN SAR_ROUND_0 Name: Late stage counterscreen results from the probe developm... aid2771.table aid2771.tbin
2772 54 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: David Frank, Dana Farber Cancer Institute Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 X01 MH079826-01 Grant Proposal PI: David Frank, Dana Farber Cancer Institute External Assay ID: STAT1_INH_LUMI_1536_IC50 MDRUN SAR_ ROUND_0 Name: Late stage results from the probe development effort to i... aid2772.table aid2772.tbin
2773 5 Data Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Gary Bokoch, TSRI Network: Molecular Libraries Probe Production Center Network (MLPCN) Grant Proposal Number: 1 R03 MH083264-01A1 Grant Proposal PI: Gary Bokoch, TSRI External Assay ID: NOX1_INH_LUMI_384_3XIC50_Synthesized Analogs 3 Name: Late-stage luminescence-based cell-based dose response assay to identify inhibitors of N... aid2773.table aid2773.tbin
2774 1279 To dissect the molecular mechanisms underlying the mammalian circadian clock by using a chemical biology approach, we analyzed the effect of 1,280 pharmacologically active compounds (LOPAC, Sigma) on the circadian period length that is indicative of the core clock mechanism. We utilized the circadian luciferase reporter Bmal1-dLuc for monitoring circadian rhythms in cultured human cells and developed a 384-well plate-based assay system to screen compound libraries. Among the 1,280 compounds teste... aid2774.table aid2774.tbin
2775 10 Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Probe Production Centers Network (MLPCN) Assay Provider: Dr. Jeffery Brodsky, University of Pittsburgh, Pittsburgh, PA Award: R03MH084077-01 Rationale and Summary: The oncogenic virus Simian Virus 40 (SV40) is a well-characterized model system to examine the underlying mechanisms of growth control and cancer. SV40 is also closely related to two viruse... aid2775.table aid2775.tbin
2776 916 Data Source: Johns Hopkins Ion Channel Center BioAssay Type: Confirmatory, Counter Screen, Duplicate, Single Concentration Activity Observed Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening Center PI: Min Li, Ph.D. Assay Provider: Mike Zhu Ph.D., Ohio State University Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R21 NS056942-01 Grant Proposal PI: Mike Z... aid2776.table aid2776.tbin
2777 916 Data Source: Johns Hopkins Ion Channel Center BioAssay Type: Confirmatory, Counter Screen, Duplicate, Single Concentration Activity Observed Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening Center PI: Min Li, Ph.D. Assay Provider: Mike Zhu Ph.D., Ohio State University Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R21 NS056942-01 Grant Proposal PI: Mike Z... aid2777.table aid2777.tbin
2778 342 qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Probe Centers Network [MLPCN] MLPCN Grant: MH084875-01A1 Assay Submitter (PI): Jolanta Grembecka, Tomasz Cierpicki, University of Virginia Translocations of the MLL (Mixed Lineage Leukemia) gene are frequently found in human leukemias affecting both children and adults. Fusion of MLL to one of more than 60 genes results in generation of oncogenic pro... aid2778.table aid2778.tbin
2779 916 Data Source: Johns Hopkins Ion Channel Center BioAssay Type: Confirmatory, Counter Screen, Duplicate, Single Concentration Activity Observed Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening Center PI: Min Li, Ph.D. Assay Provider: Mike Zhu Ph.D., Ohio State University Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R21 NS056942-01 Grant Proposal PI: Mike Z... aid2779.table aid2779.tbin
2780 916 Data Source: Johns Hopkins Ion Channel Center BioAssay Type: Confirmatory, Counter Screen, Duplicate, Single Concentration Activity Observed Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening Center PI: Min Li, Ph.D. Assay Provider: Mike Zhu Ph.D., Ohio State University Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R21 NS056942-01 Grant Proposal PI: Mike Z... aid2780.table aid2780.tbin
2781 63 qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Probe Centers Network [MLPCN] MLPCN Grant: MH084875-01A1 Assay Submitter (PI): Jolanta Grembecka, Tomasz Cierpicki, University of Virginia Translocations of the MLL (Mixed Lineage Leukemia) gene are frequently found in human leukemias affecting both children and adults. Fusion of MLL to one of more than 60 genes results in generation of oncogenic pro... aid2781.table aid2781.tbin
2782 342 qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Probe Centers Network [MLPCN] MLPCN Grant: MH084875-01A1 Assay Submitter (PI): Jolanta Grembecka, Tomasz Cierpicki, University of Virginia Translocations of the MLL (Mixed Lineage Leukemia) gene are frequently found in human leukemias affecting both children and adults. Fusion of MLL to one of more than 60 genes results in generation of oncogenic pro... aid2782.table aid2782.tbin
2783 342 qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Probe Centers Network [MLPCN] MLPCN Grant: MH084875-01A1 Assay Submitter (PI): Jolanta Grembecka, Tomasz Cierpicki, University of Virginia Translocations of the MLL (Mixed Lineage Leukemia) gene are frequently found in human leukemias affecting both children and adults. Fusion of MLL to one of more than 60 genes results in generation of oncogenic pro... aid2783.table aid2783.tbin
2784 385 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number: 1R21NS059422-01 Assay Provider: Dr. Layton Smith, Sanford- Sanford-Burnham Medical Research Institute Currently there are no small molecule tools to investigate the biological functions of apelin and its receptor. Apelin is the endogenous peptide ligand for... aid2784.table aid2784.tbin
2785 1475 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Probe Production centers Network [MLPCN] MLPCN Grant: MH085699-01 Assay Provider: Osnat Herzberg, University of Maryland NCGC Assay Overview: The objective of this project is to obtain compounds that inhibit Giardia lamblia growth. G. lamblia is a human pathogen which afflicts impoverished nations; it is the most common cause of outbreaks of diarrhea in the United States. During the course of our study of potential drug targets in Gia... aid2785.table aid2785.tbin
2786 1475 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Probe Production centers Network [MLPCN] MLPCN Grant: MH085699-01 Assay Provider: Osnat Herzberg, University of Maryland NCGC Assay Overview: The objective of this project is to obtain compounds that inhibit Giardia lamblia growth. G. lamblia is a human pathogen which afflicts impoverished nations; it is the most common cause of outbreaks of diarrhea in the United States. During the course of our study of potential drug targets in Gia... aid2786.table aid2786.tbin
2787 1478 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Probe Production centers Network [MLPCN] MLPCN Grant: MH085699-01 Assay Provider: Osnat Herzberg, University of Maryland NCGC Assay Overview: The objective of this project is to obtain compounds that inhibit Giardia lamblia growth. G. lamblia is a human pathogen which afflicts impoverished nations; it is the most common cause of outbreaks of diarrhea in the United States. During the course of our study of potential drug targets in Gia... aid2787.table aid2787.tbin
2788 19 Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Probe Production Centers Network (MLPCN) Assay Provider: Dr. Miriam Gochin, Touro University Award 1R21NS059403-01 With over 30 million people infected worldwide, and an estimated 2.5 million new infections and 2.1 million AIDS-related deaths occurring each year, human immunodeficiency virus type 1 (HIV-1) has a significant public health and socioecon... aid2788.table aid2788.tbin
2789 16 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number: 1 R03 MH084844-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute, San Diego CA The modulation of immune response activity is one of the major goals in the development of novel therapeutics for auto-immune and inflammatory diseases. The... aid2789.table aid2789.tbin
2790 20 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Michael Cardone, Eutropics Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R43 CA135915-01 Fast Track Grant Proposal PI: Michael Cardone, Eutropics External Assay ID: BCLXLBIM_INH_FP_1536_3XIC50 MDCSRUN SAR ROUND 0 Name: Late stage counterscreen results from the probe development effort to identify MCL... aid2790.table aid2790.tbin
2791 20 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Michael Cardone, Eutropics Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R43 CA135915-01 Fast Track Grant Proposal PI: Michael Cardone, Eutropics External Assay ID: MCL1BIM_INH_FP_1536_3XIC50 MDRUN SAR ROUND 0 Name: Late stage results from the probe development effort to identify MCL1-BIM inhibitors:... aid2791.table aid2791.tbin
2792 16 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1 R03 MH084844-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute, San Diego CA The modulation of immune response activity is one of the major goals in the development of novel therapeutics for auto-immune and inflammatory disease... aid2792.table aid2792.tbin
2793 16 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1 R03 MH084844-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute, San Diego CA The modulation of immune response activity is one of the major goals in the development of novel therapeutics for auto-immune and inflammatory disease... aid2793.table aid2793.tbin
2794 1478 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Probe Production centers Network [MLPCN] MLPCN Grant: MH085699-01 Assay Provider: Osnat Herzberg, University of Maryland NCGC Assay Overview: The objective of this project is to obtain compounds that inhibit Giardia lamblia growth. G. lamblia is a human pathogen which afflicts impoverished nations; it is the most common cause of outbreaks of diarrhea in the United States. During the course of our study of potential drug targets in Gia... aid2794.table aid2794.tbin
2795 1478 NIH Chemical Genomics Center [NCGC] NIH Molecular Libraries Probe Production centers Network [MLPCN] MLPCN Grant: MH085699-01 Assay Provider: Osnat Herzberg, University of Maryland NCGC Assay Overview: The objective of this project is to obtain compounds that inhibit Giardia lamblia growth. G. lamblia is a human pathogen which afflicts impoverished nations; it is the most common cause of outbreaks of diarrhea in the United States. During the course of our study of potential drug targets in Gia... aid2795.table aid2795.tbin
2796 324858 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Michael Denison, University of California, Davis Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1-X01-DA026558-01 Grant Proposal PI: Michael Denison External Assay ID: AHR_ACT_LUMI_1X%INH Name: Luminescence-based primary cell-based high throughput screening assay to identify activator... aid2796.table aid2796.tbin
2797 324858 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Michael Jarstfer, University of North Carolina at Chapel Hill (UNC) Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R03 MH085678-01A1 Grant Proposal PI: Michael Jarstfer, UNC External Assay ID: V1R_AG_FLUO8_1536_1X%ACT OXTR CSRUN Name: Counterscreen for Oxytocin Receptor (OXTR) agoni... aid2797.table aid2797.tbin
2798 40 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1 R03 MH084844-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute, San Diego CA The modulation of immune response activity is one of the major goals in the development of novel therapeutics for auto-immune and inflammatory disease... aid2798.table aid2798.tbin
2799 40 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1 R03 MH084844-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute, San Diego CA The modulation of immune response activity is one of the major goals in the development of novel therapeutics for auto-immune and inflammatory diseases... aid2799.table aid2799.tbin
2800 40 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number: 1 R03 MH084844-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute, San Diego CA The modulation of immune response activity is one of the major goals in the development of novel therapeutics for auto-immune and inflammatory diseases. Th... aid2800.table aid2800.tbin
2801 40 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1 R03 MH084844-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute, San Diego CA Multiple cellular stimuli acting through various pathways lead to NF-kB induction. The assay described below uses tumor necrosis factor alpha (TNFa), ... aid2801.table aid2801.tbin
2802 77 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assay Provider: James R. Williamson, TSRI Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R21 NS056951-01 Grant Proposal PI: James R. Williamson External Assay ID: GLD1_INH_FP_1536_3XIC50 DRUN Name: Fluorescence polarization-based biochemical high throughput dose response assay for inhibitors of gld-1 protein... aid2802.table aid2802.tbin
2803 1987 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assay Provider: Alan Saghatelian, Harvard University Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 DP2 OD002374-01 Fast Track Grant Proposal PI: Alan Saghatelian, Harvard University External Assay ID: PREPL_INH_FP_1536_3X%INH CRUN Name: Fluorescence polarization-based biochemical high throughput confirmatio... aid2803.table aid2803.tbin
2805 331759 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLSPN) Grant Proposal Number: X01-MH077602-01 Assay Provider: Dr. Jose Luis Millan, Sanford-Sanford-Burnham Medical Research Institute, San Diego, CA. Alkaline phosphatase (EC 3.1.3.1) (APs) catalyze the hydrolysis of phosphomonoesters, releasing inorganic phosphate and alcohol. A... aid2805.table aid2805.tbin
2806 331759 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: X01-MH077602-01 Assay Provider: Dr. Jose Luis Millan, Sanford-Burnham Medical Research Institute, San Diego, CA. Alkaline phosphatase (EC 3.1.3.1) (APs) catalyze the hydrolysis of phosphomonoesters, releasing inorganic phosphate and alcohol. APs are d... aid2806.table aid2806.tbin
2807 7 Screening Center Name and PI: Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters, C. David Weaver Chemistry Center Name and PI: Vanderbilt Specialized Chemistry Center for Accelerated Probe Development, Craig W. Lindsley Assay Submitter and Institution: Colleen M. Niswender, Vanderbilt University The primary pathophysiological change giving rise to the symptoms of Parkinson's disease (PD) is a loss of the dopaminergic neurons in the substantia nigra pars compacta (SNc) tha... aid2807.table aid2807.tbin
2808 105 Data Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Gary Bokoch, TSRI Network: Molecular Libraries Probe Production Center Network (MLPCN) Grant Proposal Number: 1 R03 MH083264-01A1 Grant Proposal PI: Gary Bokoch, TSRI External Assay ID: NOX1_INH_LUMI_384_3XIC50_Purchased Analogs Name: Late-stage luminescence-based cell-based dose response assay to identify inhibitors of NADPH... aid2808.table aid2808.tbin
2809 38 Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number: 1X01 DA026205-01 Assay Provider: Dr. Mary Abood, (Temple University, formerly at California Pacific Medical Center Research Institute) Addictive behavior stems from abnormal signaling activities in the brain. Thus identification of compounds blocking this modified signaling activity may lead to ... aid2809.table aid2809.tbin
2810 1207 University of New Mexico Assay Overview Assay Support: 1 X01 MH085707-01 Project Title: HTS for developing T Cell Immune Modulators PI: Inkyu Hwang,PhD The Scripps Research Institute (La Jolla) Assay Implementation: Mark K. Haynes PhD, Chelin Hu MS, Anna Waller PhD, Mark Carter MS University of New Mexico Center for Molecular Discovery PI: Larry Sklar PhD Assay Background and Significance: When naive T cells encounter antigen presenting cells (APC) displaying cognate MHC-peptide compl... aid2810.table aid2810.tbin
2811 6 Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Probe Centers Network (MLPCN) Assay Provider: Dr. Jason Harris, Massachusetts General Hospital Assay Rationale and Summary: Salmonella is a genus of rod-shaped Gram-negative enterobacteria that causes typhoid fever, paratyphoid fever, and foodborne illness. Salmonella enterica, serovar Typhimurium, is a leading cause of human gastroenteritis (acute i... aid2811.table aid2811.tbin
2812 19 Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Probe Production Centers Network (MLPCN) Assay Provider: Dr. Miriam Gochin, Touro University Award 1R21NS059403-01 With over 30 million people infected worldwide, and an estimated 2.5 million new infections and 2.1 million AIDS-related deaths occurring each year, human immunodeficiency virus type 1 (HIV-1) has a significant public health and socioecon... aid2812.table aid2812.tbin
2813 1308 University of New Mexico Assay Overview: Assay Support Project Title:HTS for Identification of VLA-4 Allosteric Modulators 1 R01 HL081062-01 PI:Larry Sklar PhD and Alex Chigaev PhD Assay Implementation: Peter Simons PhD, Susan Young MS, Yang Wu PhD, Terry Foutz, Stephanie Sedillo, Anna Waller PhD, Mark Carter MS Assay Background and Significance: We have developed a novel ligand induced binding site (LIBS) mAb assay for integrin HTS using phycoerythrin (PE) labeled HUTS-21 mAb. The nove... aid2813.table aid2813.tbin
2814 38 Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1X01 DA026205-01 Assay Provider: Dr. Mary Abood, Temple University, formerly at California Pacific Medical Center Research Institute Drug addiction is a disease that involves the G-protein coupled receptors in the central nervous system resulting in compulsive or abnorm... aid2814.table aid2814.tbin
2815 38 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1X01 DA026205-01 Assay Provider: Dr. Mary Abood, (Temple University, formerly at California Pacific Medical Center Research Institute) Addictive behavior stems from abnormal signaling activities in the brain. Thus identification of compounds blocking this modi... aid2815.table aid2815.tbin
2816 6 A small molecule screen for inhibitors of the PhoP regulon in Salmonella Typhimurium. Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Probe Centers Network (MLPCN) Assay Provider: Dr. Jason Harris, Massachusetts General Hospital Grant number: 1R21-NS059429-01 Assay Rationale and Summary: Salmonella is a genus of rod-shaped Gram-negative enterobacteria that causes typhoid fever, paratyphoid fever, ... aid2816.table aid2816.tbin
2819 20 Data Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Gary Bokoch, TSRI Network: Molecular Libraries Probe Production Center Network (MLPCN) Grant Proposal Number: 1 R03 MH083264-01A1 Grant Proposal PI: Gary Bokoch, TSRI External Assay ID: NOX1_INH_LUMI_384_3XIC50_Purchased Analogs 2 Name: Late-stage luminescence-based cell-based dose response assay to identify inhibitors of NAD... aid2819.table aid2819.tbin
2820 38 Data Source: Sanford-Burnham Center for Chemical Genomics(SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1X01 DA026205-01 Assay Provider: Dr. Mary Abood, (Temple University, formerly at California Pacific Medical Center Research Institute) The cannabinoid and endocannabinoid system has been implicated in the pathophysiology of drug dependence and addiction diso... aid2820.table aid2820.tbin
2821 224 Keywords: STK33 Kinase, Non-ATP Competitive Inhibitor Assay Overview: Purified STK33 Kinase is preincubated with potential inhibitors and allowed to phosphorylate MBP at ~ 1.5 x Km ATP. Kinase activity is measured using the ADP Glo Kit (Promega) which converts ADP reaction product into a luminescent signal. Expected Outcome: Inhibitors of STK33 Kinase will cause a decreased luminescent readout. aid2821.table aid2821.tbin
2822 38 Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1X01 DA026205-01 Assay Provider: Dr. Mary Abood, Temple University, formerly at California Pacific Medical Center Research Institute Drug addiction is a disease that involves the G-protein coupled receptors in the central nervous system resulting in compulsive or abnorm... aid2822.table aid2822.tbin
2823 1006 Keywords: FRET assay, HTS, Dose Response, RanGTP-Importin-beta complex Assay Overview: This is a fluorescence resonance energy transfer (FRET)-based biochemical assay that detects the interaction between a cyan fluorescent protein (CFP)-tagged version of RanGTP and a yellow fluorescent protein (YFP)-tagged version of importin-beta in 384-well format. YFP-Importin-beta interacts with CFP-Ran when GTP and guanine-nucleotide exchange factor for Ran, RCC1 are present. Under this condition, after ex... aid2823.table aid2823.tbin
2825 330480 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1 U01 AI078048 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute, San Diego, CA NLR family proteins are an important component of the innate immune system of vertebrates. These proteins possess a nucleotide-binding oligomerization ... aid2825.table aid2825.tbin
2826 5 University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interactions PI: Richard Neubig, Ph.D. Assay Implementation: Yang Wu Ph.D., Mark Haynes Ph.D., Anna Waller Ph.D., Mark Carter MS Target Team Leader for the Center: Larry Sklar, Ph.D., (lsklar@salud.unm.edu) Assay Background and Significance: Regulators of G protein signaling (RGS) proteins are a diverse set of intracellular proteins that modulate G protein-c... aid2826.table aid2826.tbin
2827 5 University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interactions PI: Richard Neubig, Ph.D. Assay Implementation: Yang Wu Ph.D., Mark Haynes Ph.D., Anna Waller Ph.D., Mark Carter MS Target Team Leader for the Center: Larry Sklar, Ph.D., (lsklar@salud.unm.edu) Assay Background and Significance: Regulators of G protein signaling (RGS) proteins are a diverse set of intracellular proteins that modulate G protein-c... aid2827.table aid2827.tbin
2828 5 University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interactions PI: Richard Neubig, Ph.D. Assay Implementation: Yang Wu Ph.D., Mark Haynes Ph.D., Anna Waller Ph.D., Mark Carter MS Target Team Leader for the Center: Larry Sklar, Ph.D., (lsklar@salud.unm.edu) Assay Background and Significance: Regulators of G protein signaling (RGS) proteins are a diverse set of intracellular proteins that modulate G protein-c... aid2828.table aid2828.tbin
2829 5 University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interactions PI: Richard Neubig, Ph.D. Assay Implementation: Yang Wu Ph.D., Mark Haynes Ph.D., Anna Waller Ph.D., Mark Carter MS Target Team Leader for the Center: Larry Sklar, Ph.D., (lsklar@salud.unm.edu) Assay Background and Significance: Regulators of G protein signaling (RGS) proteins are a diverse set of intracellular proteins that modulate G protein-c... aid2829.table aid2829.tbin
2830 15 University of New Mexico Assay Overview Assay Support High-throughput multiplex screening for ABC transporter inhibitors Assay Provider: Richard Larson Screening Center / PI: UNMCMD / Larry Sklar Chemistry Center / PI: KU Specialized Chemistry Center / Jeff Aube Assay Development: J Jacob Strouse, Irena Ivnitski-Steele Assay Implementation: J Jacob Strouse, Hadya Njus, Diane Jimenez-Stinson, Anna Waller, Mark Carter Assay Background and Significance: The three major subfamilies of hum... aid2830.table aid2830.tbin
2831 62 A small molecule screen for inhibitors of the PhoP regulon in Salmonella Typhimurium. Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Probe Centers Network (MLPCN) Assay Provider: Dr. Jason Harris, Massachusetts General Hospital Grant number: 1R21-NS059429-01 Assay Rationale and Summary: Salmonella is a genus of rod-shaped Gram-negative enterobacteria that causes typhoid fever, paratyphoid fever, ... aid2831.table aid2831.tbin
2833 15 University of New Mexico Assay Overview Assay Support High-throughput multiplex screening for ABC transporter inhibitors Assay Provider: Richard Larson Screening Center / PI: UNMCMD / Larry Sklar Chemistry Center / PI: KU Specialized Chemistry Center / Jeff Aube Assay Development: J Jacob Strouse, Irena Ivnitski-Steele Assay Implementation: J Jacob Strouse, Hadya Njus, Diane Jimenez-Stinson, Anna Waller, Mark Carter Assay Background and Significance: The three major subfamilies of hum... aid2833.table aid2833.tbin
2834 62 Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Probe Centers Network (MLPCN) Assay Provider: Dr. Jason Harris, Massachusetts General Hospital Grant number: 1R21-NS059429-01 Assay Rationale and Summary: Salmonella is a genus of rod-shaped Gram-negative enterobacteria that causes typhoid fever, paratyphoid fever, and foodborne illness. Salmonella enterica, serovar typhimurium, is a leading cause of... aid2834.table aid2834.tbin
2835 38 Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1X01 DA026205-01 Assay Provider: Dr. Mary Abood, Temple University, formerly at California Pacific Medical Center Research Institute Drug addiction is a disease that involves the G-protein coupled receptors in the central nervous system resulting in compulsive or ab... aid2835.table aid2835.tbin
2836 38 Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1X01 DA026205-01 Assay Provider: Dr. Mary Abood, Temple University, formerly at California Pacific Medical Center Research Institute Drug addiction is a disease that involves the G-protein coupled receptors in the central nervous system resulting in compulsive or ab... aid2836.table aid2836.tbin
2837 11 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Heather Harding, New York University School of Medicine Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1-R03-DA026554-01 Grant Proposal PI: Heather Harding, New York University School of Medicine External Assay ID: RNASET1_INH_FP_1536_3XIC50 MDCSRUN SAR_ROUND_0 Name: Late stage counte... aid2837.table aid2837.tbin
2838 11 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Heather Harding, New York University School of Medicine Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1-R03-DA026554-01 Grant Proposal PI: Heather Harding, New York University School of Medicine External Assay ID: TPT1_INH_FP_1536_3XIC50 MDRUN SAR_ROUND_0 Name: Late stage results for... aid2838.table aid2838.tbin
2839 62 Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Probe Centers Network (MLPCN) Assay Provider: Dr. Jason Harris, Massachusetts General Hospital Assay Rationale and Summary: Salmonella is a genus of rod-shaped Gram-negative enterobacteria that causes typhoid fever, paratyphoid fever, and foodborne illness. Salmonella enterica, serovar Typhimurium, is a leading cause of human gastroenteritis (acute i... aid2839.table aid2839.tbin
2840 62 Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Probe Centers Network (MLPCN) Assay Provider: Dr. Jason Harris, Massachusetts General Hospital Assay Rationale and Summary: Salmonella is a genus of rod-shaped Gram-negative enterobacteria that causes typhoid fever, paratyphoid fever, and foodborne illness. Salmonella enterica, serovar Typhimurium, is a leading cause of human gastroenteritis (acute i... aid2840.table aid2840.tbin
2842 23823 Mycobacterium tuberculosis (Mtb) is a notorious pathogen whose increasing resistance to antibiotics and heightened lethality in combination with AIDS makes it a major health concern worldwide. The World Health Organization (WHO) estimates that one-third of the world's population is infected with Mtb; eight million people worldwide develop tuberculosis annually while nearly two million die. Mtb causes more deaths than any other infectious agent in the world. Immunocompromised individuals, particul... aid2842.table aid2842.tbin
2843 39 Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1X01 DA026205-01 Assay Provider: Dr. Mary Abood, California Pacific Medical Center Research Institute (currently Temple University) The cannabinoid and endocannabinoid system has been implicated in the pathophysiology of drug dependence and addiction... aid2843.table aid2843.tbin
2844 39 Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number: 1X01 DA026205-01 Assay Provider: Dr. Mary Abood, Temple University, formerly at California Pacific Medical Center Research Institute Drug addiction is a disease that involves the G-protein coupled receptors in the central nervous system resulting in compulsive or abnormal beh... aid2844.table aid2844.tbin
2845 2281 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Michael Denison, University of California, Davis Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1-X01-DA026558-01 Grant Proposal PI: Michael Denison External Assay ID: AHR_ACT_LUMI_1536_3X%ACT CRUN Name: Luminescence-based cell-based high throughput confirmation assay for activators o... aid2845.table aid2845.tbin
2900 1 Title: 4-hydroxythiazole inhibitors of 5-lipoxygenase. Abstract: 4-Hydroxythiazoles have been identified as potent inhibitors of 5-lipoxygenase in vitro exhibiting IC50's of less than 1 microM. An investigation of structure-activity relationships showed that the most potent inhibitors of this series are the 5-phenyl derivatives. The corresponding thiazolidin-4-one analogues were found to be relatively inactive. The 4-hydroxythiazoles were active inhibitors against 5-lipoxygenase in both intact r... aid2900.table aid2900.tbin
2901 1 Compound was evaluated for its ability to mobilize calcium in 1321NI cells aid2901.table aid2901.tbin
2902 1 Title: 7-Methyl-6,7,8,9,14,15-hexahydro-5H-benz[d]indolo[2,3-g]azecine: a new heterocyclic system and a new lead compound for dopamine receptor antagonists. Abstract: Partially hydrogenated derivatives of the new heterocyclic ring systems benz[d]indolo[2,3-g]azecine and bisindolo[3,2-d][2, 3-g]azecine were synthesized starting from lactones and amines via the described synthetic methods. In binding assays with rat striatal receptors, 7-methyl-6,7,8,9,14,15-hexahydro-5H-benz[d]indolo[2, 3-g]azeci... aid2902.table aid2902.tbin
2903 1 Title: Study on affinity profile toward native human and bovine adenosine receptors of a series of 1,8-naphthyridine derivatives. Abstract: A new series of 1,8-naphthyridine derivatives (29-44 and 46-52) bearing various substituents in different positions on the heterocyclic nucleus were synthesized in order to analyze the effects produced on the affinity toward the bovine adenosine receptors. These derivatives represent an extension of our previous work on this class of compounds with high affi... aid2903.table aid2903.tbin
2904 9 Title: Synthesis of 3'- and 5'-nitrooxy pyrimidine nucleoside nitrate esters: &quot;nitric oxide donor&quot; agents for evaluation as anticancer and antiviral agents. Abstract: A group of 3'-O-nitro-2'-deoxyuridines, 3'-O-nitro-2'-deoxycytidines, and 5'-O-nitro-2'-deoxyuridines possessing a variety of substituents (H, Me, F, I) at the C-5 position were synthesized for evaluation as anticancer/antiviral agents that have the ability to concomitantly release cytotoxic nitric oxide (*NO). Although t... aid2904.table aid2904.tbin
2905 4 Title: Synthesis of 3'- and 5'-nitrooxy pyrimidine nucleoside nitrate esters: &quot;nitric oxide donor&quot; agents for evaluation as anticancer and antiviral agents. Abstract: A group of 3'-O-nitro-2'-deoxyuridines, 3'-O-nitro-2'-deoxycytidines, and 5'-O-nitro-2'-deoxyuridines possessing a variety of substituents (H, Me, F, I) at the C-5 position were synthesized for evaluation as anticancer/antiviral agents that have the ability to concomitantly release cytotoxic nitric oxide (*NO). Although t... aid2905.table aid2905.tbin
2906 3 Title: High-affinity inhibitors of dihydrofolate reductase: antimicrobial and anticancer activities of 7,8-dialkyl-1,3-diaminopyrrolo[3,2-f]quinazolines with small molecular size. Abstract: A series of 7,8-dialkylpyrrolo[3,2-f]quinazolines were prepared as inhibitors of dihydrofolate reductase (DHFR). On the basis of an apparent inverse relationship between compound size and antifungal activity, the compounds were designed to be relatively small and compact. Inhibitor design was aided by GRID an... aid2906.table aid2906.tbin
2907 24 Title: Design and synthesis of 3'- and 5'-O-(3-benzenesulfonylfuroxan-4-yl)-2'-deoxyuridines: biological evaluation as hybrid nitric oxide donor-nucleoside anticancer agents. Abstract: A group of 3'-O- and 5'-O-(3-benzenesulfonylfuroxan-4-yl)-2'-deoxyuridines possessing a variety of substituents (H, Me, I, F, CF(3)) at the C-5 position of the nucleoside moiety were synthesized for evaluation as hybrid anticancer agents that have the ability to simultaneously release cytotoxic nitric oxide (*NO).... aid2907.table aid2907.tbin
2908 8 Title: Anhydride modified cantharidin analogues: synthesis, inhibition of protein phosphatases 1 and 2A and anticancer activity. Abstract: Two series of anhydride modified cantharidin analogues were synthesised and screened for their phosphatase inhibition (PP1 and PP2A) and cytotoxicity in various cancer cell lines (Ovarian A2780, ADDP; Osteosarcoma 143B; and Colon HCT116 and HT29). One series was synthesised by a novel, high yielding one-pot hydrogenation-ring-opening-esterification procedure,... aid2908.table aid2908.tbin
2909 13 Title: Synthesis of 3'- and 5'-nitrooxy pyrimidine nucleoside nitrate esters: &quot;nitric oxide donor&quot; agents for evaluation as anticancer and antiviral agents. Abstract: A group of 3'-O-nitro-2'-deoxyuridines, 3'-O-nitro-2'-deoxycytidines, and 5'-O-nitro-2'-deoxyuridines possessing a variety of substituents (H, Me, F, I) at the C-5 position were synthesized for evaluation as anticancer/antiviral agents that have the ability to concomitantly release cytotoxic nitric oxide (*NO). Although t... aid2909.table aid2909.tbin
2910 6 Title: Synthesis of 3'- and 5'-nitrooxy pyrimidine nucleoside nitrate esters: &quot;nitric oxide donor&quot; agents for evaluation as anticancer and antiviral agents. Abstract: A group of 3'-O-nitro-2'-deoxyuridines, 3'-O-nitro-2'-deoxycytidines, and 5'-O-nitro-2'-deoxyuridines possessing a variety of substituents (H, Me, F, I) at the C-5 position were synthesized for evaluation as anticancer/antiviral agents that have the ability to concomitantly release cytotoxic nitric oxide (*NO). Although t... aid2910.table aid2910.tbin
2911 24 Title: Design and synthesis of 3'- and 5'-O-(3-benzenesulfonylfuroxan-4-yl)-2'-deoxyuridines: biological evaluation as hybrid nitric oxide donor-nucleoside anticancer agents. Abstract: A group of 3'-O- and 5'-O-(3-benzenesulfonylfuroxan-4-yl)-2'-deoxyuridines possessing a variety of substituents (H, Me, I, F, CF(3)) at the C-5 position of the nucleoside moiety were synthesized for evaluation as hybrid anticancer agents that have the ability to simultaneously release cytotoxic nitric oxide (*NO).... aid2911.table aid2911.tbin
2912 1 Title: Synthesis and structure-activity relationships of cephalosporins with C-3' catechol-containing residues. Abstract: Cephalosporins with new catechol substituents at C-3' have been synthesized, including novel compounds with C-3' carbon-carbon bonds. Many of these compounds have high potency against Gram-negative bacteria, in particular against resistant strains like Pseudomonas aeruginosa. Structure-activity relationships are discussed in terms of their dependence on the pKa of the C-3' ca... aid2912.table aid2912.tbin
2913 3 Title: Synthesis and structure-activity relationships of cephalosporins with C-3' catechol-containing residues. Abstract: Cephalosporins with new catechol substituents at C-3' have been synthesized, including novel compounds with C-3' carbon-carbon bonds. Many of these compounds have high potency against Gram-negative bacteria, in particular against resistant strains like Pseudomonas aeruginosa. Structure-activity relationships are discussed in terms of their dependence on the pKa of the C-3' ca... aid2913.table aid2913.tbin
2914 14 Title: Synthesis and structure-activity relationships of cephalosporins with C-3' catechol-containing residues. Abstract: Cephalosporins with new catechol substituents at C-3' have been synthesized, including novel compounds with C-3' carbon-carbon bonds. Many of these compounds have high potency against Gram-negative bacteria, in particular against resistant strains like Pseudomonas aeruginosa. Structure-activity relationships are discussed in terms of their dependence on the pKa of the C-3' ca... aid2914.table aid2914.tbin
2915 1 Title: Synthesis and structure-activity relationships of cephalosporins with C-3' catechol-containing residues. Abstract: Cephalosporins with new catechol substituents at C-3' have been synthesized, including novel compounds with C-3' carbon-carbon bonds. Many of these compounds have high potency against Gram-negative bacteria, in particular against resistant strains like Pseudomonas aeruginosa. Structure-activity relationships are discussed in terms of their dependence on the pKa of the C-3' ca... aid2915.table aid2915.tbin
2916 4 Title: Stereoisomers of ketoconazole: preparation and biological activity. Abstract: The four stereoisomers of the antifungal agent ketoconazole (1) were prepared and evaluated for their selectivity in inhibiting a number of cytochrome P-450 enzymes. Large differences in selectivity among the isomers were observed for inhibition of the cytochromes P-450 involved in steroid biosynthesis, whereas little differences was observed for inhibition of those associated with hepatic drug metabolism. The c... aid2916.table aid2916.tbin
2917 5 Title: Structure-activity relationship studies of nordihydroguaiaretic acid inhibitors toward soybean, 12-human, and 15-human lipoxygenase. Abstract: Lipoxygenase (LO) is a biological target for many diseases such as asthma, atherosclerosis, and cancer. Our labs have synthesized and investigated nordihydroguaiaretic acid (NDGA) derivatives and have established that the reductive inhibition of soybean and 15-human LO can be affected by the strength of the electron-withdrawing substituents on the ... aid2917.table aid2917.tbin
2918 1 Title: Synthesis and structure-activity relationships of a novel class of 5-lipoxygenase inhibitors. 2-(Phenylmethyl)-4-hydroxy-3,5-dialkylbenzofurans: the development of L-656,224. Abstract: The synthesis of a series of 2-(phenylmethyl)-4-hydroxy-3,5-dialkylbenzofurans and their inhibitory effects against leukotriene biosynthesis and 5-lipoxygenase activity in vitro are described. Many compounds in this series were found to be potent inhibitors of LTB4 production by human polymorphonuclear leuk... aid2918.table aid2918.tbin
2919 9 Title: Structure-activity relationship studies of nordihydroguaiaretic acid inhibitors toward soybean, 12-human, and 15-human lipoxygenase. Abstract: Lipoxygenase (LO) is a biological target for many diseases such as asthma, atherosclerosis, and cancer. Our labs have synthesized and investigated nordihydroguaiaretic acid (NDGA) derivatives and have established that the reductive inhibition of soybean and 15-human LO can be affected by the strength of the electron-withdrawing substituents on the ... aid2919.table aid2919.tbin
2920 5 Title: Structure-activity relationship studies of nordihydroguaiaretic acid inhibitors toward soybean, 12-human, and 15-human lipoxygenase. Abstract: Lipoxygenase (LO) is a biological target for many diseases such as asthma, atherosclerosis, and cancer. Our labs have synthesized and investigated nordihydroguaiaretic acid (NDGA) derivatives and have established that the reductive inhibition of soybean and 15-human LO can be affected by the strength of the electron-withdrawing substituents on the ... aid2920.table aid2920.tbin
2921 5 Title: Structure-activity relationship studies of nordihydroguaiaretic acid inhibitors toward soybean, 12-human, and 15-human lipoxygenase. Abstract: Lipoxygenase (LO) is a biological target for many diseases such as asthma, atherosclerosis, and cancer. Our labs have synthesized and investigated nordihydroguaiaretic acid (NDGA) derivatives and have established that the reductive inhibition of soybean and 15-human LO can be affected by the strength of the electron-withdrawing substituents on the ... aid2921.table aid2921.tbin
2922 4 Title: Structure-activity relationship studies of nordihydroguaiaretic acid inhibitors toward soybean, 12-human, and 15-human lipoxygenase. Abstract: Lipoxygenase (LO) is a biological target for many diseases such as asthma, atherosclerosis, and cancer. Our labs have synthesized and investigated nordihydroguaiaretic acid (NDGA) derivatives and have established that the reductive inhibition of soybean and 15-human LO can be affected by the strength of the electron-withdrawing substituents on the ... aid2922.table aid2922.tbin
2923 1 Title: Structure-activity relationship studies of nordihydroguaiaretic acid inhibitors toward soybean, 12-human, and 15-human lipoxygenase. Abstract: Lipoxygenase (LO) is a biological target for many diseases such as asthma, atherosclerosis, and cancer. Our labs have synthesized and investigated nordihydroguaiaretic acid (NDGA) derivatives and have established that the reductive inhibition of soybean and 15-human LO can be affected by the strength of the electron-withdrawing substituents on the ... aid2923.table aid2923.tbin
2924 1 Title: Novel indole-2-carboxamide and cycloalkeno[1,2-b]indole derivatives. Structure-activity relationships for high inhibition of human LDL peroxidation. Abstract: Series of indole-2-carboxamide and cycloalkeno[1,2-b]indole derivatives were synthesized and evaluated in order to determine the necessary structural requirements for a high inhibition of human LDL copper-induced peroxidation. Various modulations were systematically performed on the indole and cycloalkeno[1,2-b]indole nuclei as well... aid2924.table aid2924.tbin
2925 7 Title: Effect of catechol derivatives on cell growth and lipoxygenase activity. Abstract: Derivatives of salicylic acid have been synthesized as potential lipoxygenase inhibitors. Agents containing a phenolic dihydroxy moiety showed potent (IC(50)10(-6)-10(-7) M) inhibition of the growth of murine colonic tumour cells in vitro, and were effective inhibitors of 5-, 12- and 15-lipoxygenase in intact cells. The catechols were also potent inhibitors of rabbit reticulocyte 15-lipoxygenase (IC(50) app... aid2925.table aid2925.tbin
2926 8 Title: Effect of catechol derivatives on cell growth and lipoxygenase activity. Abstract: Derivatives of salicylic acid have been synthesized as potential lipoxygenase inhibitors. Agents containing a phenolic dihydroxy moiety showed potent (IC(50)10(-6)-10(-7) M) inhibition of the growth of murine colonic tumour cells in vitro, and were effective inhibitors of 5-, 12- and 15-lipoxygenase in intact cells. The catechols were also potent inhibitors of rabbit reticulocyte 15-lipoxygenase (IC(50) app... aid2926.table aid2926.tbin
2927 10 Title: Novel caffeic acid derivatives: extremely potent inhibitors of 12-lipoxygenase. aid2927.table aid2927.tbin
2928 2 Title: A facile synthesis of 1-ethoxy-4-cyano-5-ethoxycarbonyl-3H-azuleno[1,2-c]pyran-3-one, a selective 15-lipoxygenase inhibitor. Abstract: A facile method to synthesize 1-ethoxy-4-cyano-5-ethoxycarbonyl-3H-azuleno[1,2-c]pyran-3-one, in yield of 92%, which showed selective inhibition effect on 15-lipoxygenase(soybean source) at IC(50)=24.2+/-2.7 microM while no inhibition effect was observed at greater than 300 microM on 5-lipoxygenase, lipid peroxidase, phospholipase A(2), protein kinase C, a... aid2928.table aid2928.tbin
2929 2 Inhibitory activity against soybean 15-lipoxygenase was evaluated aid2929.table aid2929.tbin
2930 1 Inhibitory activity against soybean 15-lipoxygenase was evaluated at 100 uM aid2930.table aid2930.tbin
2931 2 Title: 4-hydroxythiazole inhibitors of 5-lipoxygenase. Abstract: 4-Hydroxythiazoles have been identified as potent inhibitors of 5-lipoxygenase in vitro exhibiting IC50's of less than 1 microM. An investigation of structure-activity relationships showed that the most potent inhibitors of this series are the 5-phenyl derivatives. The corresponding thiazolidin-4-one analogues were found to be relatively inactive. The 4-hydroxythiazoles were active inhibitors against 5-lipoxygenase in both intact r... aid2931.table aid2931.tbin
2932 4 Title: 4-hydroxythiazole inhibitors of 5-lipoxygenase. Abstract: 4-Hydroxythiazoles have been identified as potent inhibitors of 5-lipoxygenase in vitro exhibiting IC50's of less than 1 microM. An investigation of structure-activity relationships showed that the most potent inhibitors of this series are the 5-phenyl derivatives. The corresponding thiazolidin-4-one analogues were found to be relatively inactive. The 4-hydroxythiazoles were active inhibitors against 5-lipoxygenase in both intact r... aid2932.table aid2932.tbin
2933 1 Title: 5-Lipoxygenase inhibitors: synthesis and structure-activity relationships of a series of 1-aryl-2H,4H-tetrahydro-1,2,4-triazin-3-ones. Abstract: Synthetic routes were developed to access a variety of novel 1-aryl-2H,4H-tetrahydro-1,2,4-triazin-3-one analogs which were evaluated as 5-lipoxygenase (5-LO) inhibitors. The parent structure, 1-phenylperhydro-1,2,4-triazin-3-one (4), was found to be a selective inhibitor of 5-LO in broken cell, intact cell, and human blood assays with IC50 value... aid2933.table aid2933.tbin
2934 2 Title: 5-Lipoxygenase inhibitors: synthesis and structure-activity relationships of a series of 1-aryl-2H,4H-tetrahydro-1,2,4-triazin-3-ones. Abstract: Synthetic routes were developed to access a variety of novel 1-aryl-2H,4H-tetrahydro-1,2,4-triazin-3-one analogs which were evaluated as 5-lipoxygenase (5-LO) inhibitors. The parent structure, 1-phenylperhydro-1,2,4-triazin-3-one (4), was found to be a selective inhibitor of 5-LO in broken cell, intact cell, and human blood assays with IC50 value... aid2934.table aid2934.tbin
2935 4 Title: Stereoisomers of ketoconazole: preparation and biological activity. Abstract: The four stereoisomers of the antifungal agent ketoconazole (1) were prepared and evaluated for their selectivity in inhibiting a number of cytochrome P-450 enzymes. Large differences in selectivity among the isomers were observed for inhibition of the cytochromes P-450 involved in steroid biosynthesis, whereas little differences was observed for inhibition of those associated with hepatic drug metabolism. The c... aid2935.table aid2935.tbin
2936 26 Title: Synthesis of linked carbohydrates and evaluation of their binding for 16S RNA by mass spectrometry. Abstract: A library of linked molecules were synthesized from the common sugar moieties existing in the natural amino glycosides. These linked molecules were screened against bacterial 16S RNA for their binding affinity using a mass spectrometry-based technology. Some of these compounds exhibited low micromolar affinity and could serve as leads for further development as antibacterial agent... aid2936.table aid2936.tbin
2937 9 Title: Novel synthesis and RNA-binding properties of aminoglycoside dimers conjugated via a naphthalene diimide-based intercalator. Abstract: The synthesis and RNA-binding properties of naphthalene-based diimide conjugated bis-aminoglycoside antibiotics are reported. Compared to the monomeric aminoglycoside, the conjugated ligands were observed to attain up to 35-fold enhancement in binding affinity towards a novel RNA construct that contained two 16S rRNA A-sites. aid2937.table aid2937.tbin
2938 6 Title: Enhanced binding of aminoglycoside dimers to a &quot;dimerized&quot; A-site 16S rRNA construct. Abstract: In this work, we investigated the binding of a series of dimeric aminoglycoside molecules to (i) a 27 nt A-site 16S rRNA construct, and (ii) an artificially grafted 46 nt 'dimerized' A-site 16S rRNA construct. It was observed that the dissociation constants of dimeric aminoglycosides to the dimerized A-site 16S rRNA construct can achieve up to approximately 19-fold enhancement compare... aid2938.table aid2938.tbin
2939 6 Title: Enhanced binding of aminoglycoside dimers to a &quot;dimerized&quot; A-site 16S rRNA construct. Abstract: In this work, we investigated the binding of a series of dimeric aminoglycoside molecules to (i) a 27 nt A-site 16S rRNA construct, and (ii) an artificially grafted 46 nt 'dimerized' A-site 16S rRNA construct. It was observed that the dissociation constants of dimeric aminoglycosides to the dimerized A-site 16S rRNA construct can achieve up to approximately 19-fold enhancement compare... aid2939.table aid2939.tbin
2940 14 Title: Which aminoglycoside ring is most important for binding? A hydropathic analysis of gentamicin, paromomycin, and analogues. Abstract: The NMR structures of gentamicin and paromomycin in complex with the A-site of Escherichia coli 16S ribosomal RNA were modified with molecular modeling to 12 analogues. The intermolecular interactions between these molecules and RNA were examined using the HINT (Hydropathic INTeractions) computational model to obtain interaction scores that have been shown p... aid2940.table aid2940.tbin
2941 48 Title: Synthesis and evaluation of novel bacterial rRNA-binding benzimidazoles by mass spectrometry. Abstract: A series of novel benzimidazoles were efficiently synthesized using both solution- and solid-phase chemistry. These compounds were found to bind to the bacterial 16S ribosomal RNA A-site with micromolar affinities using unique mass spectrometry-based assays. aid2941.table aid2941.tbin
2942 1 Inhibitory activity against human placenta 17-beta-hydroxysteroid dehydrogenase type 2 (17-beta-HSD type 2) aid2942.table aid2942.tbin
2943 1 Inhibitory constant against human placenta 17-beta-hydroxysteroid dehydrogenase type 2 (17-beta-HSD type 2) aid2943.table aid2943.tbin
2944 11 Title: Steroidal spiro-gamma-lactones that inhibit 17 beta-hydroxysteroid dehydrogenase activity in human placental microsomes. Abstract: The important enzyme 17 beta-hydroxysteroid dehydrogenase (17 beta-HSD) is known to regulate intracellular levels of biologically active steroids, namely, androgens and estrogens. In an effort to develop potent inhibitors of 17 beta-HSD for reducing the levels of active steroids, we found that steroidal spiro-gamma-lactones inhibit 17 beta-HSD activity. In thi... aid2944.table aid2944.tbin
2945 1 Title: Steroidal spiro-gamma-lactones that inhibit 17 beta-hydroxysteroid dehydrogenase activity in human placental microsomes. Abstract: The important enzyme 17 beta-hydroxysteroid dehydrogenase (17 beta-HSD) is known to regulate intracellular levels of biologically active steroids, namely, androgens and estrogens. In an effort to develop potent inhibitors of 17 beta-HSD for reducing the levels of active steroids, we found that steroidal spiro-gamma-lactones inhibit 17 beta-HSD activity. In thi... aid2945.table aid2945.tbin
2946 1 Title: Hydroxyperfluoroazobenzenes: novel inhibitors of enzymes of androgen biosynthesis. Abstract: In a search for inhibitors of 17 alpha-hydroxylase-C17,20-lyase and testosterone-5 alpha-reductase, target enzymes in the development of drugs to treat hormone-dependent prostatic cancer, we have identified certain compounds chemically derived by the hydrolysis of decafluoroazobenzene (4) as novel inhibitors for these two enzymes. Hydrolysis of 4 gave the known 4-hydroxynonafluoroazobenzene (1) an... aid2946.table aid2946.tbin
2947 3 Title: Hydroxyperfluoroazobenzenes: novel inhibitors of enzymes of androgen biosynthesis. Abstract: In a search for inhibitors of 17 alpha-hydroxylase-C17,20-lyase and testosterone-5 alpha-reductase, target enzymes in the development of drugs to treat hormone-dependent prostatic cancer, we have identified certain compounds chemically derived by the hydrolysis of decafluoroazobenzene (4) as novel inhibitors for these two enzymes. Hydrolysis of 4 gave the known 4-hydroxynonafluoroazobenzene (1) an... aid2947.table aid2947.tbin
2948 9 Title: Hydroxyperfluoroazobenzenes: novel inhibitors of enzymes of androgen biosynthesis. Abstract: In a search for inhibitors of 17 alpha-hydroxylase-C17,20-lyase and testosterone-5 alpha-reductase, target enzymes in the development of drugs to treat hormone-dependent prostatic cancer, we have identified certain compounds chemically derived by the hydrolysis of decafluoroazobenzene (4) as novel inhibitors for these two enzymes. Hydrolysis of 4 gave the known 4-hydroxynonafluoroazobenzene (1) an... aid2948.table aid2948.tbin
2949 1 Title: Hydroxyperfluoroazobenzenes: novel inhibitors of enzymes of androgen biosynthesis. Abstract: In a search for inhibitors of 17 alpha-hydroxylase-C17,20-lyase and testosterone-5 alpha-reductase, target enzymes in the development of drugs to treat hormone-dependent prostatic cancer, we have identified certain compounds chemically derived by the hydrolysis of decafluoroazobenzene (4) as novel inhibitors for these two enzymes. Hydrolysis of 4 gave the known 4-hydroxynonafluoroazobenzene (1) an... aid2949.table aid2949.tbin
2950 1 Inhibitory activity against human placenta 17-beta-hydroxysteroid dehydrogenase type 2 (17-beta-HSD type 2) aid2950.table aid2950.tbin
2951 5 Compound was tested for the inhibition of 17-beta-hydroxysteroid dehydrogenase type 1(17-beta-HSD type 1) aid2951.table aid2951.tbin
2952 8 Compound was tested for the inhibition of 17-beta-hydroxysteroid dehydrogenase type 1(17-beta-HSD type 1) at 1 uM concentration aid2952.table aid2952.tbin
2953 8 Compound was tested for the inhibition of 17-beta-hydroxysteroid dehydrogenase type 1(17-beta-HSD type 1) at 10 uM concentration aid2953.table aid2953.tbin
2954 9 Title: Synthesis, opioid receptor binding, and biological activities of naltrexone-derived pyrido- and pyrimidomorphinans. Abstract: A series of pyrido- and pyrimidomorphinans (6a-h and 7a-g) were synthesized from naltrexone and evaluated for binding and biological activity at the opioid receptors. The unsubstituted pyridine 6a displayed high affinities at opioid delta, mu, and kappa receptors with K(i) values of 0.78, 1.5, and 8.8 nM, respectively. Compound 6a was devoid of agonist activity in ... aid2954.table aid2954.tbin
2955 4 Title: Antitumor agents. Part 215: antitubulin effects of cytotoxic B-ring modified allocolchicinoids. Abstract: N-Acetylcolchinol methyl ether 1 served as the starting material to prepare the chloroacetamide (3) and epoxide (5) analogues. Both 3 and 5 were potent inhibitors of tubulin polymerization in vitro. Compound 3 was also 4-fold more cytotoxic than colchicine against the 1A9 tumor cell line and showed a unique cross-resistance profile. aid2955.table aid2955.tbin
2956 13 Title: Structure-activity relationships for a series of bis(phenylalkyl)amines: potent subtype-selective inhibitors of N-methyl-D-aspartate receptors. Abstract: A series of bis(phenylalkyl)amines, structural analogues of ifenprodil and nylidrin, were synthesized and tested for antagonism of N-methyl-D-aspartate (NMDA) receptors. Potency and subunit selectivity were assayed by electrical recordings in Xenopus oocytes expressing three binary combinations of cloned rat NMDA receptor subunits: NR1A ... aid2956.table aid2956.tbin
2957 13 Title: Structure-activity relationships for a series of bis(phenylalkyl)amines: potent subtype-selective inhibitors of N-methyl-D-aspartate receptors. Abstract: A series of bis(phenylalkyl)amines, structural analogues of ifenprodil and nylidrin, were synthesized and tested for antagonism of N-methyl-D-aspartate (NMDA) receptors. Potency and subunit selectivity were assayed by electrical recordings in Xenopus oocytes expressing three binary combinations of cloned rat NMDA receptor subunits: NR1A ... aid2957.table aid2957.tbin
2958 13 Title: Structure-activity relationships for a series of bis(phenylalkyl)amines: potent subtype-selective inhibitors of N-methyl-D-aspartate receptors. Abstract: A series of bis(phenylalkyl)amines, structural analogues of ifenprodil and nylidrin, were synthesized and tested for antagonism of N-methyl-D-aspartate (NMDA) receptors. Potency and subunit selectivity were assayed by electrical recordings in Xenopus oocytes expressing three binary combinations of cloned rat NMDA receptor subunits: NR1A ... aid2958.table aid2958.tbin
2959 10 Title: Antitumor agents. Part 204: synthesis and biological evaluation of substituted 2-aryl quinazolinones. Abstract: A series of 2',3',4',6,7-substituted 2-aryl quinazolinones were synthesized and evaluated for biological activity. Among them, 17 displayed significant growth inhibitory action against a panel of tumor cell lines. Compound 17 was also a potent inhibitor of tubulin polymerization. Compounds 8-10 displayed selective activity against P-gp-expressing epidermoid carcinoma of the asop... aid2959.table aid2959.tbin
2960 1 Title: Antitumor agents. Part 204: synthesis and biological evaluation of substituted 2-aryl quinazolinones. Abstract: A series of 2',3',4',6,7-substituted 2-aryl quinazolinones were synthesized and evaluated for biological activity. Among them, 17 displayed significant growth inhibitory action against a panel of tumor cell lines. Compound 17 was also a potent inhibitor of tubulin polymerization. Compounds 8-10 displayed selective activity against P-gp-expressing epidermoid carcinoma of the asop... aid2960.table aid2960.tbin
2961 4 Title: Antitumor agents 187: synthesis and cytotoxicity of substituted 8,8-dimethyl-2H,8H-pyrano[6,5-h]quinoline-2-one and related compounds. Abstract: Several substituted 8,8-dimethyl-2H,8H-pyrano[6,5-h]quinoline-2-ones and related compounds were synthesized and evaluated for their in vitro cytotoxicity against a panel of human tumor cell lines. The most active compound (3) showed significant cytotoxic activity with GI50 values in the micromolar range. aid2961.table aid2961.tbin
2962 4 Title: Antitumor agents 187: synthesis and cytotoxicity of substituted 8,8-dimethyl-2H,8H-pyrano[6,5-h]quinoline-2-one and related compounds. Abstract: Several substituted 8,8-dimethyl-2H,8H-pyrano[6,5-h]quinoline-2-ones and related compounds were synthesized and evaluated for their in vitro cytotoxicity against a panel of human tumor cell lines. The most active compound (3) showed significant cytotoxic activity with GI50 values in the micromolar range. aid2962.table aid2962.tbin
2963 2 Title: Antitumor agents. Part 232: Synthesis of cyclosulfite podophyllotoxin analogues as novel prototype antitumor agents. Abstract: An 11,13-O,O'-cyclosulfite GL-331 analogue (7) was synthesized in six steps from podophyllotoxin and evaluated as a potential antitumor agent. Compound 7 was significantly cytotoxic against human tumor cell lines, but showed no inhibition against human DNA topoisomerase II in vitro. This compound represents a novel prototype of antitumor podophyllotoxin analogues.... aid2963.table aid2963.tbin
2964 26 Title: Antitumor agents 201. Cytotoxicity of harmine and beta-carboline analogs. Abstract: Twenty-six beta-carbolines were evaluated for in vitro cytotoxicity in a human tumor cell line panel. Harmine (3) showed significant activity against several cell lines including three drug-resistant KB sublines with various resistance mechanisms. Alpha-(4-nitrobenzylidine) harmine (16) had a broad cytotoxicity spectrum (ED50 values from 0.3-1.2 microg/mL against 1A9, KB, SaOS-2, A549, SK-MEL-2, U-87-MG, a... aid2964.table aid2964.tbin
2965 6 Title: Antitumor agents. Part 226: synthesis and cytotoxicity of 2-phenyl-4-quinolone acetic acids and their esters. Abstract: 2-Phenyl-4-quinolone acetic acids and their esters were synthesized and evaluated for interaction with tubulin and for cytotoxicity against a panel of human tumor cell lines. 2-Phenyl- and 2-(2'-fluorophenyl)-4-quinolone-8-acetic acids (11 and 12) displayed potent cytotoxicity with ED(50) values at nanomolar concentrations, but had minimal activity against tubulin polyme... aid2965.table aid2965.tbin
2966 1 Title: Antitumor agents. Part 226: synthesis and cytotoxicity of 2-phenyl-4-quinolone acetic acids and their esters. Abstract: 2-Phenyl-4-quinolone acetic acids and their esters were synthesized and evaluated for interaction with tubulin and for cytotoxicity against a panel of human tumor cell lines. 2-Phenyl- and 2-(2'-fluorophenyl)-4-quinolone-8-acetic acids (11 and 12) displayed potent cytotoxicity with ED(50) values at nanomolar concentrations, but had minimal activity against tubulin polyme... aid2966.table aid2966.tbin
2967 3 Title: Antitumor agents. Part 226: synthesis and cytotoxicity of 2-phenyl-4-quinolone acetic acids and their esters. Abstract: 2-Phenyl-4-quinolone acetic acids and their esters were synthesized and evaluated for interaction with tubulin and for cytotoxicity against a panel of human tumor cell lines. 2-Phenyl- and 2-(2'-fluorophenyl)-4-quinolone-8-acetic acids (11 and 12) displayed potent cytotoxicity with ED(50) values at nanomolar concentrations, but had minimal activity against tubulin polyme... aid2967.table aid2967.tbin
2968 6 Title: Stabilization of microtubules by Combretastatin D derivatives. Abstract: The effect of five derivatives of Combretastatin D on tubulin polymerization was investigated. All of them were found to stabilize microtubules to various degrees. The derivatives bearing polar substituents were found to be the most active. aid2968.table aid2968.tbin
2969 6 Title: Antitumor agents 200. Cytotoxicity of naturally occurring resveratrol oligomers and their acetate derivatives. Abstract: Eleven resveratrol oligomers and six acetylated derivatives were evaluated for in vitro cytotoxicity against a panel of human tumor cell lines. The acetate of (-)-ampelopsin A (12) showed potent and selective cytotoxic activity with ED50 values of 0.6, 0.7 and 2.0 microg/mL against KB, 1A9 and MCF-7 cells, respectively. Hopeaphenol (10) and pallidol hexaacetate (13) als... aid2969.table aid2969.tbin
2970 1 Title: Antitumor agents 200. Cytotoxicity of naturally occurring resveratrol oligomers and their acetate derivatives. Abstract: Eleven resveratrol oligomers and six acetylated derivatives were evaluated for in vitro cytotoxicity against a panel of human tumor cell lines. The acetate of (-)-ampelopsin A (12) showed potent and selective cytotoxic activity with ED50 values of 0.6, 0.7 and 2.0 microg/mL against KB, 1A9 and MCF-7 cells, respectively. Hopeaphenol (10) and pallidol hexaacetate (13) als... aid2970.table aid2970.tbin
2971 26 Title: Acetogenins as selective inhibitors of the human ovarian 1A9 tumor cell line. Abstract: Several bioactive acetogenins were selective against 1A9 (ovarian cancer) cell replication but did not show a corresponding hyperactivity against other cell lines. The most active compound (26, molvizarin) was a selective inhibitor of 1A9 cell replication with a potency (ED(50) = 5 pg/mL) of over 1 million times more than that for other cell lines. aid2971.table aid2971.tbin
2972 1 Title: Acetogenins as selective inhibitors of the human ovarian 1A9 tumor cell line. Abstract: Several bioactive acetogenins were selective against 1A9 (ovarian cancer) cell replication but did not show a corresponding hyperactivity against other cell lines. The most active compound (26, molvizarin) was a selective inhibitor of 1A9 cell replication with a potency (ED(50) = 5 pg/mL) of over 1 million times more than that for other cell lines. aid2972.table aid2972.tbin
2973 1 Title: Acetogenins as selective inhibitors of the human ovarian 1A9 tumor cell line. Abstract: Several bioactive acetogenins were selective against 1A9 (ovarian cancer) cell replication but did not show a corresponding hyperactivity against other cell lines. The most active compound (26, molvizarin) was a selective inhibitor of 1A9 cell replication with a potency (ED(50) = 5 pg/mL) of over 1 million times more than that for other cell lines. aid2973.table aid2973.tbin
2974 1 Title: Acetogenins as selective inhibitors of the human ovarian 1A9 tumor cell line. Abstract: Several bioactive acetogenins were selective against 1A9 (ovarian cancer) cell replication but did not show a corresponding hyperactivity against other cell lines. The most active compound (26, molvizarin) was a selective inhibitor of 1A9 cell replication with a potency (ED(50) = 5 pg/mL) of over 1 million times more than that for other cell lines. aid2974.table aid2974.tbin
2975 1 Title: Antimalarial and antitumor evaluation of novel C-10 non-acetal dimers of 10beta-(2-hydroxyethyl)deoxoartemisinin. Abstract: Four series of C-10 non-acetal dimers were prepared from key trioxane alcohol 10beta-(2-hydroxyethyl)deoxoartemisinin (9b). All of the dimers prepared displayed potent low nanomolar antimalarial activity versus the K1 and HB3 strains of Plasmodium falciparum. The most potent compound assayed was phosphate dimer 14a, which was greater than 50 times more potent than th... aid2975.table aid2975.tbin
2976 3 In vitro anticancer activity against 2 NCI SCLC cell lines; inactive aid2976.table aid2976.tbin
2977 4 Title: Stereoisomers of ketoconazole: preparation and biological activity. Abstract: The four stereoisomers of the antifungal agent ketoconazole (1) were prepared and evaluated for their selectivity in inhibiting a number of cytochrome P-450 enzymes. Large differences in selectivity among the isomers were observed for inhibition of the cytochromes P-450 involved in steroid biosynthesis, whereas little differences was observed for inhibition of those associated with hepatic drug metabolism. The c... aid2977.table aid2977.tbin
2978 1 Title: Synthesis and structure-activity studies of novel orally active non-terpenoic 2,3-oxidosqualene cyclase inhibitors. Abstract: New orally active non-terpenoic inhibitors of human 2,3-oxidosqualene cyclase (hOSC) are reported. The starting point for the optimization process was a set of compounds derived from a fungicide project, which in addition to showing high affinity for OSC from Candida albicans showed also high affinity for human OSC. Common structural elements of these inhibitors ar... aid2978.table aid2978.tbin
2979 21 Title: Synthesis and structure-activity studies of novel orally active non-terpenoic 2,3-oxidosqualene cyclase inhibitors. Abstract: New orally active non-terpenoic inhibitors of human 2,3-oxidosqualene cyclase (hOSC) are reported. The starting point for the optimization process was a set of compounds derived from a fungicide project, which in addition to showing high affinity for OSC from Candida albicans showed also high affinity for human OSC. Common structural elements of these inhibitors ar... aid2979.table aid2979.tbin
2980 4 Title: Synthesis and structure-activity studies of novel orally active non-terpenoic 2,3-oxidosqualene cyclase inhibitors. Abstract: New orally active non-terpenoic inhibitors of human 2,3-oxidosqualene cyclase (hOSC) are reported. The starting point for the optimization process was a set of compounds derived from a fungicide project, which in addition to showing high affinity for OSC from Candida albicans showed also high affinity for human OSC. Common structural elements of these inhibitors ar... aid2980.table aid2980.tbin
2981 1 Title: 2,3-Epoxy-10-aza-10,11-dihydrosqualene, a high-energy intermediate analogue inhibitor of 2,3-oxidosqualene cyclase. Abstract: 2,3-Epoxy-10-aza-10,11-dihydrosqualene, a high-energy intermediate analogue inhibitor of 2,3-oxidosqualene (SO) cyclase was obtained by total synthesis. This involved the preparation of three main building blocks: (1) C17 squalenoid N-methylamine, (2) 3-(diphenylphosphinoyl)propanal, and (3) 5,6-epoxy-6-methylheptan-2-one. The final stages of the reconstruction of ... aid2981.table aid2981.tbin
2982 1 Title: 2,3-Epoxy-10-aza-10,11-dihydrosqualene, a high-energy intermediate analogue inhibitor of 2,3-oxidosqualene cyclase. Abstract: 2,3-Epoxy-10-aza-10,11-dihydrosqualene, a high-energy intermediate analogue inhibitor of 2,3-oxidosqualene (SO) cyclase was obtained by total synthesis. This involved the preparation of three main building blocks: (1) C17 squalenoid N-methylamine, (2) 3-(diphenylphosphinoyl)propanal, and (3) 5,6-epoxy-6-methylheptan-2-one. The final stages of the reconstruction of ... aid2982.table aid2982.tbin
2983 1 Title: 2,3-Epoxy-10-aza-10,11-dihydrosqualene, a high-energy intermediate analogue inhibitor of 2,3-oxidosqualene cyclase. Abstract: 2,3-Epoxy-10-aza-10,11-dihydrosqualene, a high-energy intermediate analogue inhibitor of 2,3-oxidosqualene (SO) cyclase was obtained by total synthesis. This involved the preparation of three main building blocks: (1) C17 squalenoid N-methylamine, (2) 3-(diphenylphosphinoyl)propanal, and (3) 5,6-epoxy-6-methylheptan-2-one. The final stages of the reconstruction of ... aid2983.table aid2983.tbin
2984 1 Title: 2,3-Epoxy-10-aza-10,11-dihydrosqualene, a high-energy intermediate analogue inhibitor of 2,3-oxidosqualene cyclase. Abstract: 2,3-Epoxy-10-aza-10,11-dihydrosqualene, a high-energy intermediate analogue inhibitor of 2,3-oxidosqualene (SO) cyclase was obtained by total synthesis. This involved the preparation of three main building blocks: (1) C17 squalenoid N-methylamine, (2) 3-(diphenylphosphinoyl)propanal, and (3) 5,6-epoxy-6-methylheptan-2-one. The final stages of the reconstruction of ... aid2984.table aid2984.tbin
2985 1 Title: 2,3-Epoxy-10-aza-10,11-dihydrosqualene, a high-energy intermediate analogue inhibitor of 2,3-oxidosqualene cyclase. Abstract: 2,3-Epoxy-10-aza-10,11-dihydrosqualene, a high-energy intermediate analogue inhibitor of 2,3-oxidosqualene (SO) cyclase was obtained by total synthesis. This involved the preparation of three main building blocks: (1) C17 squalenoid N-methylamine, (2) 3-(diphenylphosphinoyl)propanal, and (3) 5,6-epoxy-6-methylheptan-2-one. The final stages of the reconstruction of ... aid2985.table aid2985.tbin
2986 1 Concentration required to inhibit rat liver 2,3-oxidosqualene-lanosterol cyclase aid2986.table aid2986.tbin
2987 1 Concentration required to inhibit rat liver 2,3-oxidosqualene-lanosterol cyclase (OSC) aid2987.table aid2987.tbin
2988 2 Evaluated for its activity to inhibit rat liver 2,3-oxidosqualene-lanosterol cyclase, activity expressed as Ki aid2988.table aid2988.tbin
2989 1 Title: 2,3-Epoxy-10-aza-10,11-dihydrosqualene, a high-energy intermediate analogue inhibitor of 2,3-oxidosqualene cyclase. Abstract: 2,3-Epoxy-10-aza-10,11-dihydrosqualene, a high-energy intermediate analogue inhibitor of 2,3-oxidosqualene (SO) cyclase was obtained by total synthesis. This involved the preparation of three main building blocks: (1) C17 squalenoid N-methylamine, (2) 3-(diphenylphosphinoyl)propanal, and (3) 5,6-epoxy-6-methylheptan-2-one. The final stages of the reconstruction of ... aid2989.table aid2989.tbin
2990 1 Title: 2,3-Epoxy-10-aza-10,11-dihydrosqualene, a high-energy intermediate analogue inhibitor of 2,3-oxidosqualene cyclase. Abstract: 2,3-Epoxy-10-aza-10,11-dihydrosqualene, a high-energy intermediate analogue inhibitor of 2,3-oxidosqualene (SO) cyclase was obtained by total synthesis. This involved the preparation of three main building blocks: (1) C17 squalenoid N-methylamine, (2) 3-(diphenylphosphinoyl)propanal, and (3) 5,6-epoxy-6-methylheptan-2-one. The final stages of the reconstruction of ... aid2990.table aid2990.tbin
2991 3 Compound was evaluated for inhibitory activity against 2,3-oxidosqualene-lanosterol cyclase in rat liver microsomes aid2991.table aid2991.tbin
2992 15 Title: Oligonucleotide structural parameters that influence binding of 5'-O-triphosphoadenylyl-(2'----5')-adenylyl-(2'----5')-adenosine to the 5'-O-triphosphoadenylyl-(2'----5')-adenylyl-(2'----5')-adenosine dependent endoribonuclease: chain length, phosphorylation state, and heterocyclic base. Abstract: A number of 2',5'-linked oligoadenylates and their analogues were prepared and evaluated for their ability to interact with the 5'-O- triphosphoadenylyl -(2'----5')-adenylyl-(2'----5')-adenosine... aid2992.table aid2992.tbin
2993 23 Title: Oligonucleotide structural parameters that influence binding of 5'-O-triphosphoadenylyl-(2'----5')-adenylyl-(2'----5')-adenosine to the 5'-O-triphosphoadenylyl-(2'----5')-adenylyl-(2'----5')-adenosine dependent endoribonuclease: chain length, phosphorylation state, and heterocyclic base. Abstract: A number of 2',5'-linked oligoadenylates and their analogues were prepared and evaluated for their ability to interact with the 5'-O- triphosphoadenylyl -(2'----5')-adenylyl-(2'----5')-adenosine... aid2993.table aid2993.tbin
2994 18 Title: Synthesis and antiviral activity of (Z)- and (E)-2,2-[bis(hydroxymethyl)cyclopropylidene]methylpurines and -pyrimidines: second-generation methylenecyclopropane analogues of nucleosides. Abstract: The second generation of methylenecyclopropane analogues of nucleosides 5a-5i and 6a-6i was synthesized and evaluated for antiviral activity. The 2,2-bis(hydroxymethyl)methylenecyclopropane (11) was converted to dibromo derivative 7 via acetate 12. Alkylation-elimination of adenine (16) with 7 a... aid2994.table aid2994.tbin
2995 1 Title: Novel 3'-C/N-substituted 2',3'-beta-D-dideoxynucleosides as potential chemotherapeutic agents. 1. Thymidine derivatives: synthesis, structure, and broad spectrum antiviral properties. Abstract: A synthetic scheme for the 3'-oxime derivatives 3E, 5E, 5Z, 7E and 7Z of 1-(2,3-dideoxy-beta-D-glycero-pentofuranosyl)thymine and for 1-(2,3-dideoxy-3-nitro-beta-D-erythro-pentofuranosyl)-thymine (10) has been developed starting from appropriately 5'-protected 3'-ketothymidine. X-ray analysis showe... aid2995.table aid2995.tbin
2996 7 Antiviral activity against Hepatitis B virus in 2.2.15 cell line aid2996.table aid2996.tbin
2997 3 Title: Synthesis, anti-human immunodeficiency virus and anti-hepatitis B virus activities of novel oxaselenolane nucleosides. aid2997.table aid2997.tbin
2998 2 Title: Synthesis, anti-human immunodeficiency virus and anti-hepatitis B virus activities of novel oxaselenolane nucleosides. aid2998.table aid2998.tbin
2999 18 Title: Synthesis and antiviral activity of (Z)- and (E)-2,2-[bis(hydroxymethyl)cyclopropylidene]methylpurines and -pyrimidines: second-generation methylenecyclopropane analogues of nucleosides. Abstract: The second generation of methylenecyclopropane analogues of nucleosides 5a-5i and 6a-6i was synthesized and evaluated for antiviral activity. The 2,2-bis(hydroxymethyl)methylenecyclopropane (11) was converted to dibromo derivative 7 via acetate 12. Alkylation-elimination of adenine (16) with 7 a... aid2999.table aid2999.tbin
3000 6 Title: Synthesis and anti-DNA viral activities in vitro of certain 2,4-disubstituted-7-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)pyrrolo[2,3-d d pyrimidine nucleosides. Abstract: Several novel 2,4-disubstituted-7-(2-deoxy-2-fluoro-beta-D- arabinofuranosyl)pyrrolo[2,3-d]pyrimidines have been synthesized and evaluated for their anti-human cytomegalovirus (HCMV), anti-hepatitis B virus (HBV), and anti-herpes simplex virus (HSV) activities in vitro. These nucleosides were prepared starting from 2-am... aid3000.table aid3000.tbin
3001 7 Concentration required to inhibit 50% of 2.2.15 cell line aid3001.table aid3001.tbin
3002 4 Title: Synthesis and anti-DNA viral activities in vitro of certain 2,4-disubstituted-7-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)pyrrolo[2,3-d d pyrimidine nucleosides. Abstract: Several novel 2,4-disubstituted-7-(2-deoxy-2-fluoro-beta-D- arabinofuranosyl)pyrrolo[2,3-d]pyrimidines have been synthesized and evaluated for their anti-human cytomegalovirus (HCMV), anti-hepatitis B virus (HBV), and anti-herpes simplex virus (HSV) activities in vitro. These nucleosides were prepared starting from 2-am... aid3002.table aid3002.tbin
3003 13 Title: Synthesis and antiviral activity of 2'-deoxy-4'-thio purine nucleosides. Abstract: A series of 2'-deoxy-4'-thioribo purine nucleosides was prepared by trans-N-deoxyribosylase-catalyzed reaction of 2'-deoxy-4'-thiouridine with a variety of purine bases. This synthetic procedure is an improvement over methods previously used to prepare purine 4'-thio nucleosides. The compounds were tested against hepatitis B virus (HBV), human cytomegalovirus (HCMV), herpes simplex virus (HSV-1 and HSV-2), ... aid3003.table aid3003.tbin
3004 19 Title: Structure--activity relationships of 1-(2-Deoxy-2-fluoro-beta-L-arabinofuranosyl)pyrimidine nucleosides as anti-hepatitis B virus agents. Abstract: Since 2'-fluoro-5-methyl-beta-L-arabinofuranosyluracil (L-FMAU) has been shown to be a potent anti-HBV agent in vitro, it was of interest to study the structure-activity relationships of related nucleosides. Thus, a series of 1-(2-deoxy-2-fluoro-beta-L-arabinofuranosyl)pyrimidine nucleosides have been synthesized and evaluated for antiviral ac... aid3004.table aid3004.tbin
3005 17 Title: Structure-activity relationships of (S,Z)-2-aminopurine methylenecyclopropane analogues of nucleosides. Variation of purine-6 substituents and activity against herpesviruses and hepatitis B virus. Abstract: A series of 13 new (S,Z)-2-aminopurine methylenecyclopropane analogues was synthesized, and their antiviral activity was investigated. The nucleophilic displacement of chlorine of 2-amino-6-chloropurine derivative 5 with allyl-, propargyl-, cyclopropylmethyl-, isopropyl-, benzyl-, cycl... aid3005.table aid3005.tbin
3006 2 In vitro anti-HBV activity in 2.2.15 cells aid3006.table aid3006.tbin
3007 1 In vitro anti-HBV activity in 2.2.15 cells; Not determined aid3007.table aid3007.tbin
3008 10 Title: Asymmetric synthesis and antiviral activities of L-carbocyclic 2', 3'-didehydro-2',3'-dideoxy and 2',3'-dideoxy nucleosides. Abstract: Asymmetric syntheses of L-carbocyclic 2',3'-didehydro-2',3'-dideoxy- and 2',3'-dideoxypyrimidine and purine nucleoside analogues were accomplished, and their anti-HIV and anti-HBV activities were evaluated. The key intermediate, (1S, 4R)-1-benzoyloxy-4-(tert-butoxymethyl)cyclopent-2-ene (7), was prepared by benzoylation of the alcohol 2, selective deprotec... aid3008.table aid3008.tbin
3009 2 Title: Asymmetric synthesis and antiviral activities of L-carbocyclic 2', 3'-didehydro-2',3'-dideoxy and 2',3'-dideoxy nucleosides. Abstract: Asymmetric syntheses of L-carbocyclic 2',3'-didehydro-2',3'-dideoxy- and 2',3'-dideoxypyrimidine and purine nucleoside analogues were accomplished, and their anti-HIV and anti-HBV activities were evaluated. The key intermediate, (1S, 4R)-1-benzoyloxy-4-(tert-butoxymethyl)cyclopent-2-ene (7), was prepared by benzoylation of the alcohol 2, selective deprotec... aid3009.table aid3009.tbin
3010 2 Cytotoxicity in 2.2.15 cells aid3010.table aid3010.tbin
3011 1 Cytotoxicity in 2.2.15 cells; Not determined aid3011.table aid3011.tbin
3012 13 Title: Synthesis and antiviral activity of 2'-deoxy-4'-thio purine nucleosides. Abstract: A series of 2'-deoxy-4'-thioribo purine nucleosides was prepared by trans-N-deoxyribosylase-catalyzed reaction of 2'-deoxy-4'-thiouridine with a variety of purine bases. This synthetic procedure is an improvement over methods previously used to prepare purine 4'-thio nucleosides. The compounds were tested against hepatitis B virus (HBV), human cytomegalovirus (HCMV), herpes simplex virus (HSV-1 and HSV-2), ... aid3012.table aid3012.tbin
3013 19 Title: Structure--activity relationships of 1-(2-Deoxy-2-fluoro-beta-L-arabinofuranosyl)pyrimidine nucleosides as anti-hepatitis B virus agents. Abstract: Since 2'-fluoro-5-methyl-beta-L-arabinofuranosyluracil (L-FMAU) has been shown to be a potent anti-HBV agent in vitro, it was of interest to study the structure-activity relationships of related nucleosides. Thus, a series of 1-(2-deoxy-2-fluoro-beta-L-arabinofuranosyl)pyrimidine nucleosides have been synthesized and evaluated for antiviral ac... aid3013.table aid3013.tbin
3014 5 Title: Structure--activity relationships of 1-(2-Deoxy-2-fluoro-beta-L-arabinofuranosyl)pyrimidine nucleosides as anti-hepatitis B virus agents. Abstract: Since 2'-fluoro-5-methyl-beta-L-arabinofuranosyluracil (L-FMAU) has been shown to be a potent anti-HBV agent in vitro, it was of interest to study the structure-activity relationships of related nucleosides. Thus, a series of 1-(2-deoxy-2-fluoro-beta-L-arabinofuranosyl)pyrimidine nucleosides have been synthesized and evaluated for antiviral ac... aid3014.table aid3014.tbin
3015 3 Title: (R)-(-)- and (S)-(+)-Synadenol: synthesis, absolute configuration, and enantioselectivity of antiviral effect. Abstract: Synthesis of (R)-(-)- and (S)-(+)-synadenol (1a and 2a, 95-96% ee) is described. Racemic synadenol (1a + 2a) was deaminated with adenosine deaminase to give (R)-(-)-synadenol (1a) and (S)-(+)-hypoxanthine derivative 5. Acetylation of the latter compound gave acetate 6. Reaction with N, N-dimethylchloromethyleneammonium chloride led to 6-chloropurine derivative 7. Ammono... aid3015.table aid3015.tbin
3016 12 Title: Imidazole derivatives as new potent and selective 20-HETE synthase inhibitors. Abstract: In a previous paper, we reported that an imidazole derivative 1 exhibited a potent inhibitory activity of 20-HETE synthase (1; IC(50) value of 5.7 nM), but this compound also exhibited little selectivity for cytochrome P450s (CYPs). We examined some derivatives of imidazole 1 which had an amino group on the side chain, and found that a dimethylaminohexyloxy derivative (3g; IC(50) value of 8.8 nM) show... aid3016.table aid3016.tbin
3017 32 Title: Pyrazole and isoxazole derivatives as new, potent, and selective 20-hydroxy-5,8,11,14-eicosatetraenoic acid synthase inhibitors. Abstract: In a previous paper, we reported the N-hydroxyformamidine derivative HET0016 as a potent and selective 20-HETE synthase inhibitor. Despite its attraction as a potential therapeutic agent for cerebral diseases, the preparation of an injectable formulation of HET0016 was limited by its poor solubility under neutral conditions and instability under acidic... aid3017.table aid3017.tbin
3018 12 Title: Simplified discodermolide analogues: synthesis and biological evaluation of 4-epi-7-dehydroxy-14,16-didemethyl-(+)-discodermolides as microtubule-stabilizing agents. Abstract: Several novel analogues of (+)-discodermolide were synthesized via a convergent strategy that used Wittig reactions to append left and right side chains to a central scaffold and then tested for biological activity. Three of the analogues in the 4-epi-7-dehydroxy-14,16-didemethyl series, 6a-c, had interesting action... aid3018.table aid3018.tbin
3019 8 Title: Synthesis and biological evaluation of structurally highly modified analogues of the antimitotic natural product curacin A. Abstract: Structure-activity relationship analysis of synthetic analogues of curacin A revealed the lack of activity of traditional heterocyclic replacements of the thiazoline ring or cyclopropyl analogues of the core diene segment. The significance of the C(3)-C(4)-(Z)-alkene geometry was established, and a novel oxime analogue was designed that displays biological ... aid3019.table aid3019.tbin
3020 5 Title: Synthesis and biological evaluation of structurally highly modified analogues of the antimitotic natural product curacin A. Abstract: Structure-activity relationship analysis of synthetic analogues of curacin A revealed the lack of activity of traditional heterocyclic replacements of the thiazoline ring or cyclopropyl analogues of the core diene segment. The significance of the C(3)-C(4)-(Z)-alkene geometry was established, and a novel oxime analogue was designed that displays biological ... aid3020.table aid3020.tbin
3021 2 Title: Synthesis and biological evaluation of 3-alkoxy analogues of flavone-8-acetic acid. Abstract: New analogues of flavone-8-acetic acid were synthesized, bearing an alkoxy group in position 3 and different substituents on the benzene ring in position 2 of the flavone nucleus. The compounds were tested for direct cytotoxicity against four human tumor cell lines and for indirect antitumor effects by measuring their ability to enhance lytic properties of murine macrophages and human monocytes. ... aid3021.table aid3021.tbin
3022 14 Title: Synthesis and biological evaluation of 3-alkoxy analogues of flavone-8-acetic acid. Abstract: New analogues of flavone-8-acetic acid were synthesized, bearing an alkoxy group in position 3 and different substituents on the benzene ring in position 2 of the flavone nucleus. The compounds were tested for direct cytotoxicity against four human tumor cell lines and for indirect antitumor effects by measuring their ability to enhance lytic properties of murine macrophages and human monocytes. ... aid3022.table aid3022.tbin
3023 1 Title: Structure-activity studies of antitumor agents based on pyrrolo[1,2-a]benzimidazoles: new reductive alkylating DNA cleaving agents. Abstract: Described herein are structure-activity studies of new antitumor agents based on the pyrrolo[1,2-a]benzimidazole (PBI) ring system. These compounds were designed as new DNA cross-linkers mimicking the mitomycin antitumor agents. Actually, the PBI derivatives were found to have anthracycline-like features: (i) shared cross resistance with doxorubicin... aid3023.table aid3023.tbin
3024 2 Title: Structure-activity studies of antitumor agents based on pyrrolo[1,2-a]benzimidazoles: new reductive alkylating DNA cleaving agents. Abstract: Described herein are structure-activity studies of new antitumor agents based on the pyrrolo[1,2-a]benzimidazole (PBI) ring system. These compounds were designed as new DNA cross-linkers mimicking the mitomycin antitumor agents. Actually, the PBI derivatives were found to have anthracycline-like features: (i) shared cross resistance with doxorubicin... aid3024.table aid3024.tbin
3025 1 Title: Structure-activity studies of antitumor agents based on pyrrolo[1,2-a]benzimidazoles: new reductive alkylating DNA cleaving agents. Abstract: Described herein are structure-activity studies of new antitumor agents based on the pyrrolo[1,2-a]benzimidazole (PBI) ring system. These compounds were designed as new DNA cross-linkers mimicking the mitomycin antitumor agents. Actually, the PBI derivatives were found to have anthracycline-like features: (i) shared cross resistance with doxorubicin... aid3025.table aid3025.tbin
3026 2 Title: Structure-activity studies of antitumor agents based on pyrrolo[1,2-a]benzimidazoles: new reductive alkylating DNA cleaving agents. Abstract: Described herein are structure-activity studies of new antitumor agents based on the pyrrolo[1,2-a]benzimidazole (PBI) ring system. These compounds were designed as new DNA cross-linkers mimicking the mitomycin antitumor agents. Actually, the PBI derivatives were found to have anthracycline-like features: (i) shared cross resistance with doxorubicin... aid3026.table aid3026.tbin
3027 19 Title: Structure-based optimisation of 2-aminobenzylstatine derivatives: potent and selective inhibitors of the chymotrypsin-like activity of the human 20S proteasome. Abstract: We have identified 2-aminobenzylstatine derivatives that inhibit non-covalently the chymotrypsin-like activity of the human 20S proteasome. A structure-based optimisation approach has allowed us to improve the potency of this structural class of proteasome inhibitors from micromolar to nanomolar level. The new derivative... aid3027.table aid3027.tbin
3028 7 Title: Potent inhibitors of proteasome. aid3028.table aid3028.tbin
3029 35 Title: Selective inhibition of the chymotrypsin-like activity of the 20S proteasome by 5-methoxy-1-indanone dipeptide benzamides. Abstract: Potent inhibitors of the 20S proteasome that contain a novel indanone head group coupled to di and tripeptides are described. These compounds are the first proteasome inhibitors have demonstrated high selectivity for the chymotrypsin-like activity of the 20S proteasome. aid3029.table aid3029.tbin
3030 1 Title: Selective inhibition of the chymotrypsin-like activity of the 20S proteasome by 5-methoxy-1-indanone dipeptide benzamides. Abstract: Potent inhibitors of the 20S proteasome that contain a novel indanone head group coupled to di and tripeptides are described. These compounds are the first proteasome inhibitors have demonstrated high selectivity for the chymotrypsin-like activity of the 20S proteasome. aid3030.table aid3030.tbin
3031 2 Title: Total synthesis of the potent proteasome inhibitor epoxomicin: a useful tool for understanding proteasome biology. Abstract: Epoxomicin (1), a peptide alpha',beta'-epoxyketone isolated from the actinomycete strain No.Q996-17, possesses potent in vivo anti-tumor and anti-inflammatory activities. In this paper, we report the first syntheses of epoxomicin, [3H]-epoxomicin, and a biotinylated epoxomicin analog as well as the absolute configuration of the epoxide stereocenter. The natural prod... aid3031.table aid3031.tbin
3032 7 Title: Syntheses and evaluation of amidinobenzofuran derivatives as tryptase inhibitors. Abstract: We report the syntheses and evaluation of amidinobenzofuran derivatives as tryptase inhibitors. Among the compounds we evaluated, 1,5-Bis[4-(5-amidinobenzofuran-2-ylcarbonyl)piperazinylca rbonylmethoxy]cyclooctane 26 (AY0068) was found to be a selective and potent non-peptide inhibitor. 26 was effective in PCA reaction in rats without showing antihistaminic activity. aid3032.table aid3032.tbin
3033 6 Title: Design and synthesis of 2',3'-dideoxy-2',3'-didehydro-beta-L-cytidine (beta-L-d4C) and 2',3'-dideoxy 2',3'-didehydro-beta-L-5-fluorocytidine (beta-L-Fd4C), two exceptionally potent inhibitors of human hepatitis B virus (HBV) and potent inhibitors of human immunodeficiency virus (HIV) in vitro. aid3033.table aid3033.tbin
3034 5 Title: Design and synthesis of 2',3'-dideoxy-2',3'-didehydro-beta-L-cytidine (beta-L-d4C) and 2',3'-dideoxy 2',3'-didehydro-beta-L-5-fluorocytidine (beta-L-Fd4C), two exceptionally potent inhibitors of human hepatitis B virus (HBV) and potent inhibitors of human immunodeficiency virus (HIV) in vitro. aid3034.table aid3034.tbin
3035 1 Title: Novel alpha-glucosidase inhibitors with a tetrachlorophthalimide skeleton. Abstract: Novel alpha-glucosidase inhibitors with a tetrachlorophthalimide skeleton were prepared and their structure-activity relationships were analyzed. Among them, N-phenyl-4,5,6,7-tetrachlorophthalimide (CPOP: 2) and N-(4-phenylbutyl)-4,5,6,7-tetrachlorophthalimide (CP4P: 6) showed very potent inhibitory activity, being more potent than 1-deoxynojirimycin (dNM: 1). Mechanistic studies revealed that CPOP (2) an... aid3035.table aid3035.tbin
3036 1 Title: Synthesis and evaluation of delta-lactams (piperazones) as elastase inhibitors. Abstract: A series of monocyclic delta-lactams (piperazones) was prepared and analysed as inhibitors of porcine pancreatic elastase and human neutrophil elastase. aid3036.table aid3036.tbin
3037 1 Title: Highly selective adenosine A2 receptor agonists in a series of N-alkylated 2-aminoadenosines. Abstract: A wide variety of 2-substituted aminoadenosines were prepared for comparison with the moderately A2 receptor selective adenosine agonist 2-anilinoadenosine (CV-1808). High selectivity combined with significant affinity at the A2 receptor in rat membranes was observed for those amines bearing a two-carbon chain to which was attached an aryl, heteroaryl, or alicyclic moiety. 2-(2-Phenethy... aid3037.table aid3037.tbin
3038 1 Title: Synthesis and biological activity of some derivatives of rifamycin P. Abstract: A series of derivatives of rifamycin P, an antibiotic produced by fermentation of a mutant strain of Nocardia mediterranea or by chemical modification of rifamycin S, have been prepared. The structures of these compounds were determined by 1H NMR, IR, UV, and LC/MS. Their in vitro and in vivo antibacterial activities in comparison with rifampicin and two other rifamycins under investigation were evaluated. The... aid3038.table aid3038.tbin
3039 6 Title: Synthesis and biological activity of some derivatives of rifamycin P. Abstract: A series of derivatives of rifamycin P, an antibiotic produced by fermentation of a mutant strain of Nocardia mediterranea or by chemical modification of rifamycin S, have been prepared. The structures of these compounds were determined by 1H NMR, IR, UV, and LC/MS. Their in vitro and in vivo antibacterial activities in comparison with rifampicin and two other rifamycins under investigation were evaluated. The... aid3039.table aid3039.tbin
3040 2 Title: Synthesis and biological activity of some derivatives of rifamycin P. Abstract: A series of derivatives of rifamycin P, an antibiotic produced by fermentation of a mutant strain of Nocardia mediterranea or by chemical modification of rifamycin S, have been prepared. The structures of these compounds were determined by 1H NMR, IR, UV, and LC/MS. Their in vitro and in vivo antibacterial activities in comparison with rifampicin and two other rifamycins under investigation were evaluated. The... aid3040.table aid3040.tbin
3041 7 Title: Synthesis and biological activity of some derivatives of rifamycin P. Abstract: A series of derivatives of rifamycin P, an antibiotic produced by fermentation of a mutant strain of Nocardia mediterranea or by chemical modification of rifamycin S, have been prepared. The structures of these compounds were determined by 1H NMR, IR, UV, and LC/MS. Their in vitro and in vivo antibacterial activities in comparison with rifampicin and two other rifamycins under investigation were evaluated. The... aid3041.table aid3041.tbin
3042 7 Title: DNA-directed alkylating agents. 5. Acridinecarboxamide derivatives of (1,2-diaminoethane)dichloroplatinum(II). Abstract: A series of acridine-2- and -4-carboxamide-linked analogues of PtenCl2 has been prepared and evaluated for biological activity against several tumor cell lines in vitro and in vivo. The platinum complexes were generally more cytotoxic than the corresponding ligands against wild-type P388 leukemia cells in vitro, with acridine-4-carboxamide complexes being the more effec... aid3042.table aid3042.tbin
3043 14 Title: DNA-directed alkylating agents. 5. Acridinecarboxamide derivatives of (1,2-diaminoethane)dichloroplatinum(II). Abstract: A series of acridine-2- and -4-carboxamide-linked analogues of PtenCl2 has been prepared and evaluated for biological activity against several tumor cell lines in vitro and in vivo. The platinum complexes were generally more cytotoxic than the corresponding ligands against wild-type P388 leukemia cells in vitro, with acridine-4-carboxamide complexes being the more effec... aid3043.table aid3043.tbin
3044 1 Title: Novel acyclonucleotides: synthesis and antiviral activity of alkenylphosphonic acid derivatives of purines and a pyrimidine. Abstract: A series of phosphonoalkenyl and (phosphonoalkenyl)oxy derivatives of purines and a pyrimidine were synthesized. These compounds are the first reported acyclonucleotides which incorporate the alpha,beta-unsaturated phosphonic acid moiety as the phosphate mimic and include compounds in which the acyclic substituent is attached to N-9 of a purine or N-1 of a... aid3044.table aid3044.tbin
3045 6 Title: Novel acyclonucleotides: synthesis and antiviral activity of alkenylphosphonic acid derivatives of purines and a pyrimidine. Abstract: A series of phosphonoalkenyl and (phosphonoalkenyl)oxy derivatives of purines and a pyrimidine were synthesized. These compounds are the first reported acyclonucleotides which incorporate the alpha,beta-unsaturated phosphonic acid moiety as the phosphate mimic and include compounds in which the acyclic substituent is attached to N-9 of a purine or N-1 of a... aid3045.table aid3045.tbin
3046 1 Title: Novel acyclonucleotides: synthesis and antiviral activity of alkenylphosphonic acid derivatives of purines and a pyrimidine. Abstract: A series of phosphonoalkenyl and (phosphonoalkenyl)oxy derivatives of purines and a pyrimidine were synthesized. These compounds are the first reported acyclonucleotides which incorporate the alpha,beta-unsaturated phosphonic acid moiety as the phosphate mimic and include compounds in which the acyclic substituent is attached to N-9 of a purine or N-1 of a... aid3046.table aid3046.tbin
3047 1 Title: 5-chloro-3-(phenylsulfonyl)indole-2-carboxamide: a novel, non-nucleoside inhibitor of HIV-1 reverse transcriptase. Abstract: A series of highly potent, structurally novel, non-nucleoside RT inhibitors has been described. Low nanomolar concentrations of 5-chloro-3-(phenylsulfonyl)-indole-2-carboxamide (1) inhibit the HIV-1 RT enzyme in vitro and HTLVIIIb viral spread in MT-4 human T-lymphoid cells. Good oral bioavailability was observed in rhesus monkeys upon oral dosing of 1 as a suspensi... aid3047.table aid3047.tbin
3048 1 Title: Methotrexate analogues. 21. Divergent influence of alkyl chain length on the dihydrofolate reductase affinity and cytotoxicity of methotrexate monoesters. Abstract: n-Octyl, n-dodecyl, and n-hexadecyl alpha- and gamma-esters of methotrexate (MTX) were compared with the previously described alpha- and gamma-n-butyl esters and with MTX as inhibitors of dihydrofolate reductase (DHFR) and human leukemic lymphoblasts (CEM cells) in culture. The overall order of activity in both test systems wa... aid3048.table aid3048.tbin
3049 1 Title: Methotrexate analogues. 21. Divergent influence of alkyl chain length on the dihydrofolate reductase affinity and cytotoxicity of methotrexate monoesters. Abstract: n-Octyl, n-dodecyl, and n-hexadecyl alpha- and gamma-esters of methotrexate (MTX) were compared with the previously described alpha- and gamma-n-butyl esters and with MTX as inhibitors of dihydrofolate reductase (DHFR) and human leukemic lymphoblasts (CEM cells) in culture. The overall order of activity in both test systems wa... aid3049.table aid3049.tbin
3050 1 Title: Methotrexate analogues. 21. Divergent influence of alkyl chain length on the dihydrofolate reductase affinity and cytotoxicity of methotrexate monoesters. Abstract: n-Octyl, n-dodecyl, and n-hexadecyl alpha- and gamma-esters of methotrexate (MTX) were compared with the previously described alpha- and gamma-n-butyl esters and with MTX as inhibitors of dihydrofolate reductase (DHFR) and human leukemic lymphoblasts (CEM cells) in culture. The overall order of activity in both test systems wa... aid3050.table aid3050.tbin
3051 1 Title: Methotrexate analogues. 21. Divergent influence of alkyl chain length on the dihydrofolate reductase affinity and cytotoxicity of methotrexate monoesters. Abstract: n-Octyl, n-dodecyl, and n-hexadecyl alpha- and gamma-esters of methotrexate (MTX) were compared with the previously described alpha- and gamma-n-butyl esters and with MTX as inhibitors of dihydrofolate reductase (DHFR) and human leukemic lymphoblasts (CEM cells) in culture. The overall order of activity in both test systems wa... aid3051.table aid3051.tbin
3052 1 Title: Methotrexate analogues. 21. Divergent influence of alkyl chain length on the dihydrofolate reductase affinity and cytotoxicity of methotrexate monoesters. Abstract: n-Octyl, n-dodecyl, and n-hexadecyl alpha- and gamma-esters of methotrexate (MTX) were compared with the previously described alpha- and gamma-n-butyl esters and with MTX as inhibitors of dihydrofolate reductase (DHFR) and human leukemic lymphoblasts (CEM cells) in culture. The overall order of activity in both test systems wa... aid3052.table aid3052.tbin
3053 1 Title: Methotrexate analogues. 21. Divergent influence of alkyl chain length on the dihydrofolate reductase affinity and cytotoxicity of methotrexate monoesters. Abstract: n-Octyl, n-dodecyl, and n-hexadecyl alpha- and gamma-esters of methotrexate (MTX) were compared with the previously described alpha- and gamma-n-butyl esters and with MTX as inhibitors of dihydrofolate reductase (DHFR) and human leukemic lymphoblasts (CEM cells) in culture. The overall order of activity in both test systems wa... aid3053.table aid3053.tbin
3054 1 Title: Methotrexate analogues. 21. Divergent influence of alkyl chain length on the dihydrofolate reductase affinity and cytotoxicity of methotrexate monoesters. Abstract: n-Octyl, n-dodecyl, and n-hexadecyl alpha- and gamma-esters of methotrexate (MTX) were compared with the previously described alpha- and gamma-n-butyl esters and with MTX as inhibitors of dihydrofolate reductase (DHFR) and human leukemic lymphoblasts (CEM cells) in culture. The overall order of activity in both test systems wa... aid3054.table aid3054.tbin
3055 1 Title: Methotrexate analogues. 21. Divergent influence of alkyl chain length on the dihydrofolate reductase affinity and cytotoxicity of methotrexate monoesters. Abstract: n-Octyl, n-dodecyl, and n-hexadecyl alpha- and gamma-esters of methotrexate (MTX) were compared with the previously described alpha- and gamma-n-butyl esters and with MTX as inhibitors of dihydrofolate reductase (DHFR) and human leukemic lymphoblasts (CEM cells) in culture. The overall order of activity in both test systems wa... aid3055.table aid3055.tbin
3056 66 Title: 3D QSAR analyses-guided rational design of novel ligands for the (alpha4)2(beta2)3 nicotinic acetylcholine receptor. Abstract: Three-dimensional quantitative structure-activity relationship methods, the comparative molecular field analysis (CoMFA) and the comparative molecular similarity indices analysis (CoMSIA), were applied using a training set of 45 ligands of the (alpha4)2(beta2)3 nicotinic acetylcholine receptor (nAChR). All compounds are related to (-)-epibatidine, (-)-cytisine, (+... aid3056.table aid3056.tbin
3057 1 Title: Synthesis and biological activity of some derivatives of rifamycin P. Abstract: A series of derivatives of rifamycin P, an antibiotic produced by fermentation of a mutant strain of Nocardia mediterranea or by chemical modification of rifamycin S, have been prepared. The structures of these compounds were determined by 1H NMR, IR, UV, and LC/MS. Their in vitro and in vivo antibacterial activities in comparison with rifampicin and two other rifamycins under investigation were evaluated. The... aid3057.table aid3057.tbin
3058 4 Title: Synthesis and biological evaluation of 5-substituted derivatives of the potent antiherpes agent (north)-methanocarbathymine. Abstract: The conformationally locked nucleoside, (north)-methanocarbathymine (1a), is a potent and selective anti-herpes agent effective against herpes simplex type 1 (HSV1) and type 2 (HSV2) viruses. Hereby, we report on the synthesis and biological evaluation of a small set of 5-substituted pyrimidine nucleosides belonging to the same class of bicyclo[3.1.0]hexan... aid3058.table aid3058.tbin
3059 20 Title: 5-Substituted-2,4-diamino-6-[2-(phosphonomethoxy)ethoxy]pyrimidines-acyclic nucleoside phosphonate analogues with antiviral activity. Abstract: 2,4-Diamino-6-hydroxypyrimidines substituted in position 5 by an allyl, benzyl, cyanomethyl, ethoxycarbonylmethyl, phenyl, cyclopropyl, or methyl group were prepared either by C5-alkylation or by formation of the pyrimidine ring by cyclization. Their alkylation with 2-[(diisopropoxyphosphoryl)methoxy]ethyl tosylate afforded N1- and O6-regioisomers... aid3059.table aid3059.tbin
3060 1 Title: 5-Substituted-2,4-diamino-6-[2-(phosphonomethoxy)ethoxy]pyrimidines-acyclic nucleoside phosphonate analogues with antiviral activity. Abstract: 2,4-Diamino-6-hydroxypyrimidines substituted in position 5 by an allyl, benzyl, cyanomethyl, ethoxycarbonylmethyl, phenyl, cyclopropyl, or methyl group were prepared either by C5-alkylation or by formation of the pyrimidine ring by cyclization. Their alkylation with 2-[(diisopropoxyphosphoryl)methoxy]ethyl tosylate afforded N1- and O6-regioisomers... aid3060.table aid3060.tbin
3061 1 Title: 5-Substituted-2,4-diamino-6-[2-(phosphonomethoxy)ethoxy]pyrimidines-acyclic nucleoside phosphonate analogues with antiviral activity. Abstract: 2,4-Diamino-6-hydroxypyrimidines substituted in position 5 by an allyl, benzyl, cyanomethyl, ethoxycarbonylmethyl, phenyl, cyclopropyl, or methyl group were prepared either by C5-alkylation or by formation of the pyrimidine ring by cyclization. Their alkylation with 2-[(diisopropoxyphosphoryl)methoxy]ethyl tosylate afforded N1- and O6-regioisomers... aid3061.table aid3061.tbin
3062 1 Title: Synthesis and biological activity of 5-alkyl-1,7,8-trisubstituted-6-fluoroquinoline-3-carboxylic acids. Abstract: A series of 5-alkyl-1,7,8-trisubstituted-6-fluoro-1,4-dihydro-4-oxo-3- quinolinecarboxylic acids was prepared and evaluated for in vitro and in vivo antibacterial activity. When compared to the 5-hydrogen analogues, the presence of the 5-methyl group enhanced in vitro potency for those compounds containing a cyclopropyl moiety at N1 but decreased potency for those containing a... aid3062.table aid3062.tbin
3063 1 Title: Structure-activity profile of a series of novel triazoloquinazoline adenosine antagonists. Abstract: During a search for benzodiazepine receptor modulators, a highly potent adenosine antagonist (CGS 15943) was discovered. The compound was defined as a resonance-stabilized hybrid of the canonical structures 9-chloro-2-(2-furyl)[1,2,4]triazolo[1,5-c]quinazolin-5-amine (2a) and 9-chloro-2-(2-furyl)-5,6-dihydro[1,2,4]triazolo[1,5-c]-quinazolin- 5-imine (2b). Spectroscopic evidence and chemica... aid3063.table aid3063.tbin
3064 29 In vitro inhibition of 1,3-beta-glucan synthase in Candida albicans membrane assay. aid3064.table aid3064.tbin
3065 17 Inhibition of 1,3-beta-glucan synthase aid3065.table aid3065.tbin
3066 1 Title: 1-Carboranyl-3-(2-methylaziridino)-2-propanol. Synthesis, selective uptake by B-16 melanoma, and selective cytotoxicity toward cancer cells. Abstract: 1-Carboranyl-3-(2-methylaziridino)-2-propanol (MACB) was prepared from the reaction of 1-carboranyl-2,3-epoxypropane with metalated methylaziridines having copper [Cu(CN)Li2]1/2 or lead (PbBu3) as the metal. MACB exhibited relatively high growth inhibition toward some cancer cells, and selective uptake of MACB by B-16 melanoma was accomplis... aid3066.table aid3066.tbin
3067 8 Title: New cyclooxygenase-2/5-lipoxygenase inhibitors. 2. 7-tert-butyl-2,3-dihydro-3,3-dimethylbenzofuran derivatives as gastrointestinal safe antiinflammatory and analgesic agents: variations of the dihydrobenzofuran ring. Abstract: A series of 5-keto-substituted 7-tert-buty1-2,3-dihydro-3,3- dimethylbenzofurans (DHDMBFs) were found to be nonsteroidal antiinflammatory and analgesic agents. These compounds are inhibitors of 5-lipoxygenase (5-LOX) and cyclooxygenase (COX) with selectivity for the... aid3067.table aid3067.tbin
3068 7 Title: Structure-activity relationship studies of nordihydroguaiaretic acid inhibitors toward soybean, 12-human, and 15-human lipoxygenase. Abstract: Lipoxygenase (LO) is a biological target for many diseases such as asthma, atherosclerosis, and cancer. Our labs have synthesized and investigated nordihydroguaiaretic acid (NDGA) derivatives and have established that the reductive inhibition of soybean and 15-human LO can be affected by the strength of the electron-withdrawing substituents on the ... aid3068.table aid3068.tbin
3069 2 Title: Structure-activity relationship studies of nordihydroguaiaretic acid inhibitors toward soybean, 12-human, and 15-human lipoxygenase. Abstract: Lipoxygenase (LO) is a biological target for many diseases such as asthma, atherosclerosis, and cancer. Our labs have synthesized and investigated nordihydroguaiaretic acid (NDGA) derivatives and have established that the reductive inhibition of soybean and 15-human LO can be affected by the strength of the electron-withdrawing substituents on the ... aid3069.table aid3069.tbin
3070 10 Title: Structure-activity relationship studies of nordihydroguaiaretic acid inhibitors toward soybean, 12-human, and 15-human lipoxygenase. Abstract: Lipoxygenase (LO) is a biological target for many diseases such as asthma, atherosclerosis, and cancer. Our labs have synthesized and investigated nordihydroguaiaretic acid (NDGA) derivatives and have established that the reductive inhibition of soybean and 15-human LO can be affected by the strength of the electron-withdrawing substituents on the ... aid3070.table aid3070.tbin
3071 5 Title: Structure-activity relationship studies of nordihydroguaiaretic acid inhibitors toward soybean, 12-human, and 15-human lipoxygenase. Abstract: Lipoxygenase (LO) is a biological target for many diseases such as asthma, atherosclerosis, and cancer. Our labs have synthesized and investigated nordihydroguaiaretic acid (NDGA) derivatives and have established that the reductive inhibition of soybean and 15-human LO can be affected by the strength of the electron-withdrawing substituents on the ... aid3071.table aid3071.tbin
3072 1 Title: New minimal substrate structural requirements in the enzymatic peroxidation of alkenes with soybean lipoxygenase. Abstract: A carboxylic or a charged head group in fatty acid analogs is not an essential structural requirement for binding and catalysis in soybean lipoxygenase-1 catalyzed oxidations. aid3072.table aid3072.tbin
3073 2 Title: New minimal substrate structural requirements in the enzymatic peroxidation of alkenes with soybean lipoxygenase. Abstract: A carboxylic or a charged head group in fatty acid analogs is not an essential structural requirement for binding and catalysis in soybean lipoxygenase-1 catalyzed oxidations. aid3073.table aid3073.tbin
3074 1 Title: New minimal substrate structural requirements in the enzymatic peroxidation of alkenes with soybean lipoxygenase. Abstract: A carboxylic or a charged head group in fatty acid analogs is not an essential structural requirement for binding and catalysis in soybean lipoxygenase-1 catalyzed oxidations. aid3074.table aid3074.tbin
3075 1 Title: New minimal substrate structural requirements in the enzymatic peroxidation of alkenes with soybean lipoxygenase. Abstract: A carboxylic or a charged head group in fatty acid analogs is not an essential structural requirement for binding and catalysis in soybean lipoxygenase-1 catalyzed oxidations. aid3075.table aid3075.tbin
3076 1 Title: New minimal substrate structural requirements in the enzymatic peroxidation of alkenes with soybean lipoxygenase. Abstract: A carboxylic or a charged head group in fatty acid analogs is not an essential structural requirement for binding and catalysis in soybean lipoxygenase-1 catalyzed oxidations. aid3076.table aid3076.tbin
3077 1 Title: New minimal substrate structural requirements in the enzymatic peroxidation of alkenes with soybean lipoxygenase. Abstract: A carboxylic or a charged head group in fatty acid analogs is not an essential structural requirement for binding and catalysis in soybean lipoxygenase-1 catalyzed oxidations. aid3077.table aid3077.tbin
3078 1 Title: New minimal substrate structural requirements in the enzymatic peroxidation of alkenes with soybean lipoxygenase. Abstract: A carboxylic or a charged head group in fatty acid analogs is not an essential structural requirement for binding and catalysis in soybean lipoxygenase-1 catalyzed oxidations. aid3078.table aid3078.tbin
3079 1 Title: New minimal substrate structural requirements in the enzymatic peroxidation of alkenes with soybean lipoxygenase. Abstract: A carboxylic or a charged head group in fatty acid analogs is not an essential structural requirement for binding and catalysis in soybean lipoxygenase-1 catalyzed oxidations. aid3079.table aid3079.tbin
3080 1 Title: New minimal substrate structural requirements in the enzymatic peroxidation of alkenes with soybean lipoxygenase. Abstract: A carboxylic or a charged head group in fatty acid analogs is not an essential structural requirement for binding and catalysis in soybean lipoxygenase-1 catalyzed oxidations. aid3080.table aid3080.tbin
3081 1 Title: New minimal substrate structural requirements in the enzymatic peroxidation of alkenes with soybean lipoxygenase. Abstract: A carboxylic or a charged head group in fatty acid analogs is not an essential structural requirement for binding and catalysis in soybean lipoxygenase-1 catalyzed oxidations. aid3081.table aid3081.tbin
3082 1 Title: New minimal substrate structural requirements in the enzymatic peroxidation of alkenes with soybean lipoxygenase. Abstract: A carboxylic or a charged head group in fatty acid analogs is not an essential structural requirement for binding and catalysis in soybean lipoxygenase-1 catalyzed oxidations. aid3082.table aid3082.tbin
3083 3 Title: Synthesis and biological activity of an acyclic analogue of 5,6,7,8-tetrahydrofolic acid, N-[4-[[3-(2,4-diamino-1,6-dihydro-6-oxo-5- pyrimidinyl)propyl]amino]-benzoyl]-L-glutamic acid. Abstract: The synthesis and biological evaluation of N-[4-[[3-(2,4-diamino-1,6-dihydro-6-oxo-5-pyrimidinyl)propyl]amino]- benzoyl]-L-glutamic acid (1) (5-DACTHF, 543U76), an acyclic analogue of 5,6,7,8-tetrahydrofolic acid (THFA), are described. The key intermediate, hemiaminal 8, was prepared in four stage... aid3083.table aid3083.tbin
3084 5 Title: Rational design, synthesis, and biological activity of novel conformationally restricted vitamin D analogues, (22R)- and (22S)-22-ethyl-1,25-dihydroxy-23,24-didehydro-24a,24b-dihomo-20-epivitamin D(3). Abstract: Two new vitamin D analogues, (22R)- and (22S)-22-ethyl-1,25-dihydroxy-23,24-didehydro-24a,24b-dihomo-20-epivitamin D(3) (3 and 4), were rationally designed on the basis of the active space group concept previously proposed by us. The 22R ethyl group of 3 restricts the mobility of ... aid3084.table aid3084.tbin
3085 3 In vitro anticancer activity against 11 NCI NSCLC cell lines; inactive aid3085.table aid3085.tbin
3086 3 Title: Arylsulfonamidothiazoles as a new class of potential antidiabetic drugs. Discovery of potent and selective inhibitors of the 11beta-hydroxysteroid dehydrogenase type 1. Abstract: Novel antidiabetic arylsulfonamidothiazoles are presented that exert action through selective inhibition of the 11beta-hydroxysteroid dehydrogenase type 1 (11beta-HSD1) enzyme, thereby attenuating hepatic gluconeogenesis. The diethylamide derivative 2a was shown to potently inhibit human 11beta-HSD1 (IC(50) = 52 ... aid3086.table aid3086.tbin
3087 1 Title: Arylsulfonamidothiazoles as a new class of potential antidiabetic drugs. Discovery of potent and selective inhibitors of the 11beta-hydroxysteroid dehydrogenase type 1. Abstract: Novel antidiabetic arylsulfonamidothiazoles are presented that exert action through selective inhibition of the 11beta-hydroxysteroid dehydrogenase type 1 (11beta-HSD1) enzyme, thereby attenuating hepatic gluconeogenesis. The diethylamide derivative 2a was shown to potently inhibit human 11beta-HSD1 (IC(50) = 52 ... aid3087.table aid3087.tbin
3088 2 Title: Arylsulfonamidothiazoles as a new class of potential antidiabetic drugs. Discovery of potent and selective inhibitors of the 11beta-hydroxysteroid dehydrogenase type 1. Abstract: Novel antidiabetic arylsulfonamidothiazoles are presented that exert action through selective inhibition of the 11beta-hydroxysteroid dehydrogenase type 1 (11beta-HSD1) enzyme, thereby attenuating hepatic gluconeogenesis. The diethylamide derivative 2a was shown to potently inhibit human 11beta-HSD1 (IC(50) = 52 ... aid3088.table aid3088.tbin
3089 3 Title: Arylsulfonamidothiazoles as a new class of potential antidiabetic drugs. Discovery of potent and selective inhibitors of the 11beta-hydroxysteroid dehydrogenase type 1. Abstract: Novel antidiabetic arylsulfonamidothiazoles are presented that exert action through selective inhibition of the 11beta-hydroxysteroid dehydrogenase type 1 (11beta-HSD1) enzyme, thereby attenuating hepatic gluconeogenesis. The diethylamide derivative 2a was shown to potently inhibit human 11beta-HSD1 (IC(50) = 52 ... aid3089.table aid3089.tbin
3090 1 Title: Arylsulfonamidothiazoles as a new class of potential antidiabetic drugs. Discovery of potent and selective inhibitors of the 11beta-hydroxysteroid dehydrogenase type 1. Abstract: Novel antidiabetic arylsulfonamidothiazoles are presented that exert action through selective inhibition of the 11beta-hydroxysteroid dehydrogenase type 1 (11beta-HSD1) enzyme, thereby attenuating hepatic gluconeogenesis. The diethylamide derivative 2a was shown to potently inhibit human 11beta-HSD1 (IC(50) = 52 ... aid3090.table aid3090.tbin
3091 15 Title: Structure-activity relationship study of the inhibition of adrenal cortical 11 beta-hydroxylase by new metyrapone analogues. Abstract: Metyrapone, 2-methyl-1,2-di-3-pyridyl-1-propanone (1a), is a potent reversible inhibitor of the cytochrome P-450 11 beta-hydroxylase enzyme system (P-450(11) beta) of the adrenal cortex. The structural features of the metyrapone molecule have been systemically altered to determine the requirements necessary for inhibition of P-450(11) beta activity. Metyra... aid3091.table aid3091.tbin
3092 1 Title: Selective thromboxane synthetase inhibitors. 3. 1H-imidazol-1-yl-substituted benzo[b]furan-, benzo[b]thiophene-, and indole-2- and -3-carboxylic acids. Abstract: The preparation of a series of 1H-imidazol-1-yl-substituted benzo[b]furan-, benzo[b]thiophene-, and indolecarboxylic acids is described. Most of the compounds were potent inhibitors of TxA2 synthetase in vitro, and the distance between the imidazole and carboxylic acid groups was found to be important for optimal potency. The mos... aid3092.table aid3092.tbin
3093 7 Title: Selective thromboxane synthetase inhibitors. 2. 3-(1H-imidazol-1-ylmethyl)-2-methyl-1H-indole-1-propanoic acid and analogues. Abstract: The preparation of a series of 3-(1H-imidazol-1-ylmethyl)-1H-indole-1-alkanoic acids is described. Several compounds were found to be more potent thromboxane synthetase inhibitors than the corresponding analogues lacking an acidic substituent. In the cases examined, compounds had no significant activity against PGI2 synthetase or cyclooxygenase, and intro... aid3093.table aid3093.tbin
3094 7 Title: Selective thromboxane synthetase inhibitors. 4. 2-(1H-imidazol-1-ylmethyl) carboxylic acids of benzo[b]furan, benzo[b]thiophene, indole, and naphthalene. Abstract: The preparation of a series of 2-(1H-imidazol-1-ylmethyl)-substituted carboxylic acids of benzo[b]furan, benzo-[b]thiophene, indole, and naphthalene is described. All compounds showed a similar level of activity as TxA2 synthetase inhibitors in vitro, having IC50 values between 1 and 7 X 10(-8) M. In the cases examined, compoun... aid3094.table aid3094.tbin
3095 6 Title: Selective thromboxane synthetase inhibitors. 1. 1-[(Aryloxy)alkyl]-1H-imidazoles. Abstract: 1-(2-Phenoxyethyl)-1H-imidazole was found to be an inhibitor of thromboxane (TxA2) synthetase, but it also inhibited the adrenal cytochrome P-450 enzyme steroid 11 beta-hydroxylase. The preparation of a series of analogues is described, and activity against TxA2 synthetase, PGI2 synthetase, cyclooxygenase, and steroid 11 beta-hydroxylase is discussed. Potency against TxA2 synthetase was increased b... aid3095.table aid3095.tbin
3096 1 Title: Selective thromboxane synthetase inhibitors. 1. 1-[(Aryloxy)alkyl]-1H-imidazoles. Abstract: 1-(2-Phenoxyethyl)-1H-imidazole was found to be an inhibitor of thromboxane (TxA2) synthetase, but it also inhibited the adrenal cytochrome P-450 enzyme steroid 11 beta-hydroxylase. The preparation of a series of analogues is described, and activity against TxA2 synthetase, PGI2 synthetase, cyclooxygenase, and steroid 11 beta-hydroxylase is discussed. Potency against TxA2 synthetase was increased b... aid3096.table aid3096.tbin
3097 8 Title: A novel 18 beta-glycyrrhetinic acid analogue as a potent and selective inhibitor of 11 beta-hydroxysteroid dehydrogenase 2. Abstract: Using 18beta-glycyrrhetinic acid as a template, the synthesis of a series of secondary amides at the 30-position is described and the effects of these modifications on the SAR of the 11beta-hydroxysteroid dehydrogenase isozymes type 1 and 2 from the rat are investigated. An isoform selective inhibitor has been discovered and compound 5, N-(2-hydroxyethyl)-3... aid3097.table aid3097.tbin
3098 1 Title: A novel 18 beta-glycyrrhetinic acid analogue as a potent and selective inhibitor of 11 beta-hydroxysteroid dehydrogenase 2. Abstract: Using 18beta-glycyrrhetinic acid as a template, the synthesis of a series of secondary amides at the 30-position is described and the effects of these modifications on the SAR of the 11beta-hydroxysteroid dehydrogenase isozymes type 1 and 2 from the rat are investigated. An isoform selective inhibitor has been discovered and compound 5, N-(2-hydroxyethyl)-3... aid3098.table aid3098.tbin
3099 8 Title: A novel 18 beta-glycyrrhetinic acid analogue as a potent and selective inhibitor of 11 beta-hydroxysteroid dehydrogenase 2. Abstract: Using 18beta-glycyrrhetinic acid as a template, the synthesis of a series of secondary amides at the 30-position is described and the effects of these modifications on the SAR of the 11beta-hydroxysteroid dehydrogenase isozymes type 1 and 2 from the rat are investigated. An isoform selective inhibitor has been discovered and compound 5, N-(2-hydroxyethyl)-3... aid3099.table aid3099.tbin
3100 1 Title: Hydroxamic acid inhibitors of 5-lipoxygenase. Abstract: The hydroxamic acid functionality can be incorporated in a variety of simple molecules to produce potent inhibitors of 5-lipoxygenase. As an example of this, the structure-activity relationships in a series of omega-phenylalkyl and omega-naphthylalkyl hydroxamic acids are presented. Among the features described are the influence of hydrophobicity, aryl substitution, and modifications of the hydroxamate group on enzyme inhibitory pote... aid3100.table aid3100.tbin
3101 1 Title: Differential effects of a series of hydroxamic acid derivatives on 5-lipoxygenase and cyclooxygenase from neutrophils and 12-lipoxygenase from platelets and their in vivo effects on inflammation and anaphylaxis. Abstract: The synthesis of a series of novel substituted hydroxamates has been described along with their profile of inhibitory activity against 5-lipoxygenase, 12-lipoxygenase, and cyclooxygenase enzymes. The structure--activity relationship suggests that future molecules could b... aid3101.table aid3101.tbin
3102 1 Title: 5-Lipoxygenase inhibitors: synthesis and structure-activity relationships of a series of 1-aryl-2H,4H-tetrahydro-1,2,4-triazin-3-ones. Abstract: Synthetic routes were developed to access a variety of novel 1-aryl-2H,4H-tetrahydro-1,2,4-triazin-3-one analogs which were evaluated as 5-lipoxygenase (5-LO) inhibitors. The parent structure, 1-phenylperhydro-1,2,4-triazin-3-one (4), was found to be a selective inhibitor of 5-LO in broken cell, intact cell, and human blood assays with IC50 value... aid3102.table aid3102.tbin
3103 2 Title: Substituted chromenes as potent, orally active 5-lipoxygenase inhibitors. Abstract: A series of chromene derivatives was synthesized and evaluated for their in vitro and ex vivo 5-lipoxygenase (5-LO) inhibitory activity. These compounds were prepared by condensation of appropriate salicyl aldehydes with alpha, beta-unsaturated carbonyl compounds, followed by transformation to the corresponding hydroxamic acids or N-hydroxyureas. Placement of phenoxy or p-fluorophenoxy substituents at the ... aid3103.table aid3103.tbin
3104 2 Title: 5-Lipoxygenase inhibitors: synthesis and structure-activity relationships of a series of 1-aryl-2H,4H-tetrahydro-1,2,4-triazin-3-ones. Abstract: Synthetic routes were developed to access a variety of novel 1-aryl-2H,4H-tetrahydro-1,2,4-triazin-3-one analogs which were evaluated as 5-lipoxygenase (5-LO) inhibitors. The parent structure, 1-phenylperhydro-1,2,4-triazin-3-one (4), was found to be a selective inhibitor of 5-LO in broken cell, intact cell, and human blood assays with IC50 value... aid3104.table aid3104.tbin
3105 1 Title: Substituted chromenes as potent, orally active 5-lipoxygenase inhibitors. Abstract: A series of chromene derivatives was synthesized and evaluated for their in vitro and ex vivo 5-lipoxygenase (5-LO) inhibitory activity. These compounds were prepared by condensation of appropriate salicyl aldehydes with alpha, beta-unsaturated carbonyl compounds, followed by transformation to the corresponding hydroxamic acids or N-hydroxyureas. Placement of phenoxy or p-fluorophenoxy substituents at the ... aid3105.table aid3105.tbin
3106 27 Title: Antipsoriatic anthrones with modulated redox properties. 3. 10-thio-substituted 1,8-dihydroxy-9(10H)-anthracenones as inhibitors of keratinocyte growth, 5-lipoxygenase, and the formation of 12(S)-HETE in mouse epidermis. Abstract: The synthesis of a series of 1,8-dihydroxy-9(10H)-anthracenones bearing sulfur-linked substituents in the 10-position is described. These compounds were evaluated for their ability to inhibit the growth of the human keratinocyte cell line HaCaT and the 5- and 12... aid3106.table aid3106.tbin
3107 21 Title: (Carboxyalkyl)benzyl propargyl ethers as selective inhibitors of leukocyte-type 12-lipoxygenases. Abstract: A series of (carboxyalkyl)benzyl propargyl ethers was synthesized and tested as inhibitors of 12-lipoxygenase (12-LO) from porcine leukocyte cytosol. Optimum activity was displayed by 3-[4-[(2-tridecynyloxy)methyl]phenyl]propanoic acid. Altering the length of the alkyl side chain attached to the acetylenic group reduced activity. Changing the substitution pattern in the (carboxyalky... aid3107.table aid3107.tbin
3108 9 Title: Structure-activity relationship studies of nordihydroguaiaretic acid inhibitors toward soybean, 12-human, and 15-human lipoxygenase. Abstract: Lipoxygenase (LO) is a biological target for many diseases such as asthma, atherosclerosis, and cancer. Our labs have synthesized and investigated nordihydroguaiaretic acid (NDGA) derivatives and have established that the reductive inhibition of soybean and 15-human LO can be affected by the strength of the electron-withdrawing substituents on the ... aid3108.table aid3108.tbin
3109 2 Inhibitory activity against human platelet 12-lipoxygenase aid3109.table aid3109.tbin
3110 1 Inhibitory activity against human platelet 12-lipoxygenase was evaluated aid3110.table aid3110.tbin
3111 10 Title: Structure-activity relationship studies of nordihydroguaiaretic acid inhibitors toward soybean, 12-human, and 15-human lipoxygenase. Abstract: Lipoxygenase (LO) is a biological target for many diseases such as asthma, atherosclerosis, and cancer. Our labs have synthesized and investigated nordihydroguaiaretic acid (NDGA) derivatives and have established that the reductive inhibition of soybean and 15-human LO can be affected by the strength of the electron-withdrawing substituents on the ... aid3111.table aid3111.tbin
3112 2 Inhibitory activity against human platelet 12-lipoxygenase was evaluated at 100 uM aid3112.table aid3112.tbin
3113 5 Title: Structure-activity relationship studies of nordihydroguaiaretic acid inhibitors toward soybean, 12-human, and 15-human lipoxygenase. Abstract: Lipoxygenase (LO) is a biological target for many diseases such as asthma, atherosclerosis, and cancer. Our labs have synthesized and investigated nordihydroguaiaretic acid (NDGA) derivatives and have established that the reductive inhibition of soybean and 15-human LO can be affected by the strength of the electron-withdrawing substituents on the ... aid3113.table aid3113.tbin
3114 1 Title: Synthesis and structure-activity relationships of a novel class of 5-lipoxygenase inhibitors. 2-(Phenylmethyl)-4-hydroxy-3,5-dialkylbenzofurans: the development of L-656,224. Abstract: The synthesis of a series of 2-(phenylmethyl)-4-hydroxy-3,5-dialkylbenzofurans and their inhibitory effects against leukotriene biosynthesis and 5-lipoxygenase activity in vitro are described. Many compounds in this series were found to be potent inhibitors of LTB4 production by human polymorphonuclear leuk... aid3114.table aid3114.tbin
3115 1 Title: Substituted thiopyrano[2,3,4-c,d]indoles as potent, selective, and orally active inhibitors of 5-lipoxygenase. Synthesis and biological evaluation of L-691,816. Abstract: Thiopyrano[2,3,4-c,d]indoles are a new class of 5-lipoxygenase (5-LO) inhibitors. SAR studies have demonstrated that the thiopyran ring, the 5-phenylpyridine substituent, and an acidic functional group on a four-carbon C-2 side chain are all required for optimal inhibitor potency. In contrast, the indolic nitrogen may be... aid3115.table aid3115.tbin
3116 7 Inhibition of 12-lipoxygenase was evaluated in rat platelets stimulated by thrombin up to a concentration of 10 uM; NE means No effect aid3116.table aid3116.tbin
3117 10 Title: Novel caffeic acid derivatives: extremely potent inhibitors of 12-lipoxygenase. aid3117.table aid3117.tbin
3118 24 Title: Differential effects of a series of hydroxamic acid derivatives on 5-lipoxygenase and cyclooxygenase from neutrophils and 12-lipoxygenase from platelets and their in vivo effects on inflammation and anaphylaxis. Abstract: The synthesis of a series of novel substituted hydroxamates has been described along with their profile of inhibitory activity against 5-lipoxygenase, 12-lipoxygenase, and cyclooxygenase enzymes. The structure--activity relationship suggests that future molecules could b... aid3118.table aid3118.tbin
3119 1 Title: Differential effects of a series of hydroxamic acid derivatives on 5-lipoxygenase and cyclooxygenase from neutrophils and 12-lipoxygenase from platelets and their in vivo effects on inflammation and anaphylaxis. Abstract: The synthesis of a series of novel substituted hydroxamates has been described along with their profile of inhibitory activity against 5-lipoxygenase, 12-lipoxygenase, and cyclooxygenase enzymes. The structure--activity relationship suggests that future molecules could b... aid3119.table aid3119.tbin
3120 4 Title: Differential effects of a series of hydroxamic acid derivatives on 5-lipoxygenase and cyclooxygenase from neutrophils and 12-lipoxygenase from platelets and their in vivo effects on inflammation and anaphylaxis. Abstract: The synthesis of a series of novel substituted hydroxamates has been described along with their profile of inhibitory activity against 5-lipoxygenase, 12-lipoxygenase, and cyclooxygenase enzymes. The structure--activity relationship suggests that future molecules could b... aid3120.table aid3120.tbin
3121 1 Title: Differential effects of a series of hydroxamic acid derivatives on 5-lipoxygenase and cyclooxygenase from neutrophils and 12-lipoxygenase from platelets and their in vivo effects on inflammation and anaphylaxis. Abstract: The synthesis of a series of novel substituted hydroxamates has been described along with their profile of inhibitory activity against 5-lipoxygenase, 12-lipoxygenase, and cyclooxygenase enzymes. The structure--activity relationship suggests that future molecules could b... aid3121.table aid3121.tbin
3122 1 Title: Differential effects of a series of hydroxamic acid derivatives on 5-lipoxygenase and cyclooxygenase from neutrophils and 12-lipoxygenase from platelets and their in vivo effects on inflammation and anaphylaxis. Abstract: The synthesis of a series of novel substituted hydroxamates has been described along with their profile of inhibitory activity against 5-lipoxygenase, 12-lipoxygenase, and cyclooxygenase enzymes. The structure--activity relationship suggests that future molecules could b... aid3122.table aid3122.tbin
3123 1 Title: Differential effects of a series of hydroxamic acid derivatives on 5-lipoxygenase and cyclooxygenase from neutrophils and 12-lipoxygenase from platelets and their in vivo effects on inflammation and anaphylaxis. Abstract: The synthesis of a series of novel substituted hydroxamates has been described along with their profile of inhibitory activity against 5-lipoxygenase, 12-lipoxygenase, and cyclooxygenase enzymes. The structure--activity relationship suggests that future molecules could b... aid3123.table aid3123.tbin
3124 5 Title: 4-hydroxythiazole inhibitors of 5-lipoxygenase. Abstract: 4-Hydroxythiazoles have been identified as potent inhibitors of 5-lipoxygenase in vitro exhibiting IC50's of less than 1 microM. An investigation of structure-activity relationships showed that the most potent inhibitors of this series are the 5-phenyl derivatives. The corresponding thiazolidin-4-one analogues were found to be relatively inactive. The 4-hydroxythiazoles were active inhibitors against 5-lipoxygenase in both intact r... aid3124.table aid3124.tbin
3125 3 Title: Synthesis, characterization, and cytotoxicity of trifunctional dinuclear platinum complexes: comparison of effects of geometry and polyfunctionality on biological activity. Abstract: The synthesis of two new isomeric trifunctional dinuclear platinum complexes of formula [ inverted question markPtCl(NH(3))(2) inverted question markmicro-NH(2)(CH(2))(6)NH(2)- inverted question markPtCl(2)(N H(3)) inverted question mark](+) (1, 2/c,c and 1,2/t,c) is reported. Their biological activity in sel... aid3125.table aid3125.tbin
3126 32 Title: Synthesis and in vitro and in vivo antitumor activity of a series of trans platinum antitumor complexes. Abstract: The synthesis of a series of platinum complexes of trans coordination geometry [centered around the general formula, trans-ammine(amine)dichlorodihydroxoplatinum(IV) plus corresponding tetrachloroplatinum(IV) or Pt(II) counterparts] is described as part of a drug discovery program to identify more effective platinum-based anticancer drugs, particularly targeted toward the cir... aid3126.table aid3126.tbin
3127 8 Title: Novel soluble cationic trans-diaminedichloroplatinum(II) complexes that are active against cisplatin resistant ovarian cancer cell lines. Abstract: Positively charged, water soluble cis/trans-[PtCl(2)(piperazine)(Am1)] (where Am1 = NH(3), n-butylamine, isopropylamine, 4-picoline, piperidine, and piperazine) has significant cytotoxic activity against cisplatin resistant ovarian cancer cells. The charged complexes are taken up by cancer cells much more rapidly than cisplatin and bind to cel... aid3127.table aid3127.tbin
3128 3 Title: Synthesis, characterization, and cytotoxicity of trifunctional dinuclear platinum complexes: comparison of effects of geometry and polyfunctionality on biological activity. Abstract: The synthesis of two new isomeric trifunctional dinuclear platinum complexes of formula [ inverted question markPtCl(NH(3))(2) inverted question markmicro-NH(2)(CH(2))(6)NH(2)- inverted question markPtCl(2)(N H(3)) inverted question mark](+) (1, 2/c,c and 1,2/t,c) is reported. Their biological activity in sel... aid3128.table aid3128.tbin
3129 32 Title: Synthesis and in vitro and in vivo antitumor activity of a series of trans platinum antitumor complexes. Abstract: The synthesis of a series of platinum complexes of trans coordination geometry [centered around the general formula, trans-ammine(amine)dichlorodihydroxoplatinum(IV) plus corresponding tetrachloroplatinum(IV) or Pt(II) counterparts] is described as part of a drug discovery program to identify more effective platinum-based anticancer drugs, particularly targeted toward the cir... aid3129.table aid3129.tbin
3130 24 Title: Synthesis and in vitro and in vivo antitumor activity of a series of trans platinum antitumor complexes. Abstract: The synthesis of a series of platinum complexes of trans coordination geometry [centered around the general formula, trans-ammine(amine)dichlorodihydroxoplatinum(IV) plus corresponding tetrachloroplatinum(IV) or Pt(II) counterparts] is described as part of a drug discovery program to identify more effective platinum-based anticancer drugs, particularly targeted toward the cir... aid3130.table aid3130.tbin
3131 8 Title: Novel soluble cationic trans-diaminedichloroplatinum(II) complexes that are active against cisplatin resistant ovarian cancer cell lines. Abstract: Positively charged, water soluble cis/trans-[PtCl(2)(piperazine)(Am1)] (where Am1 = NH(3), n-butylamine, isopropylamine, 4-picoline, piperidine, and piperazine) has significant cytotoxic activity against cisplatin resistant ovarian cancer cells. The charged complexes are taken up by cancer cells much more rapidly than cisplatin and bind to cel... aid3131.table aid3131.tbin
3132 1 Title: Novel indole-based inhibitors of IMPDH: introduction of hydrogen bond acceptors at indole C-3. Abstract: The development of a series of novel indole-based inhibitors of 5'-inosine monophosphate dehydrogenase (IMPDH) is described. Various hydrogen bond acceptors at C-3 of the indole were explored. The synthesis and the structure-activity relationships (SARs) derived from in vitro studies are outlined. aid3132.table aid3132.tbin
3133 13 Title: Novel indole-based inhibitors of IMPDH: introduction of hydrogen bond acceptors at indole C-3. Abstract: The development of a series of novel indole-based inhibitors of 5'-inosine monophosphate dehydrogenase (IMPDH) is described. Various hydrogen bond acceptors at C-3 of the indole were explored. The synthesis and the structure-activity relationships (SARs) derived from in vitro studies are outlined. aid3133.table aid3133.tbin
3134 25 Title: Identification of novel and potent isoquinoline aminooxazole-based IMPDH inhibitors. Abstract: Screening of our in-house compound collection led to the discovery of 5-bromo-6-amino-2-isoquinoline 1 as a weak inhibitor of IMPDH. Subsequent optimization of 1 afforded a series of novel 2-isoquinolinoaminooxazole-based inhibitors, represented by 17, with single-digit nanomolar potency against the enzyme. aid3134.table aid3134.tbin
3135 10 Title: Targeting the polyamine pathway with transition-state analogue inhibitors of 5'-methylthioadenosine phosphorylase. Abstract: The polyamine biosynthetic pathway is a therapeutic target for proliferative diseases because cellular proliferation requires elevated levels of polyamines. A byproduct of the latter stages of polyamine biosynthesis (the synthesis of spermidine and spermine) is 5'-methylthioadenosine (MTA). In humans, MTA is processed by 5'-methylthioadenosine phosphorylase (MTAP) s... aid3135.table aid3135.tbin
3136 6 Title: Targeting the polyamine pathway with transition-state analogue inhibitors of 5'-methylthioadenosine phosphorylase. Abstract: The polyamine biosynthetic pathway is a therapeutic target for proliferative diseases because cellular proliferation requires elevated levels of polyamines. A byproduct of the latter stages of polyamine biosynthesis (the synthesis of spermidine and spermine) is 5'-methylthioadenosine (MTA). In humans, MTA is processed by 5'-methylthioadenosine phosphorylase (MTAP) s... aid3136.table aid3136.tbin
3137 16 Title: Targeting the polyamine pathway with transition-state analogue inhibitors of 5'-methylthioadenosine phosphorylase. Abstract: The polyamine biosynthetic pathway is a therapeutic target for proliferative diseases because cellular proliferation requires elevated levels of polyamines. A byproduct of the latter stages of polyamine biosynthesis (the synthesis of spermidine and spermine) is 5'-methylthioadenosine (MTA). In humans, MTA is processed by 5'-methylthioadenosine phosphorylase (MTAP) s... aid3137.table aid3137.tbin
3138 3 Title: Synthesis and biological activity of an acyclic analogue of 5,6,7,8-tetrahydrofolic acid, N-[4-[[3-(2,4-diamino-1,6-dihydro-6-oxo-5- pyrimidinyl)propyl]amino]-benzoyl]-L-glutamic acid. Abstract: The synthesis and biological evaluation of N-[4-[[3-(2,4-diamino-1,6-dihydro-6-oxo-5-pyrimidinyl)propyl]amino]- benzoyl]-L-glutamic acid (1) (5-DACTHF, 543U76), an acyclic analogue of 5,6,7,8-tetrahydrofolic acid (THFA), are described. The key intermediate, hemiaminal 8, was prepared in four stage... aid3138.table aid3138.tbin
3139 2 Title: Synthesis and biological activity of an acyclic analogue of 5,6,7,8-tetrahydrofolic acid, N-[4-[[3-(2,4-diamino-1,6-dihydro-6-oxo-5- pyrimidinyl)propyl]amino]-benzoyl]-L-glutamic acid. Abstract: The synthesis and biological evaluation of N-[4-[[3-(2,4-diamino-1,6-dihydro-6-oxo-5-pyrimidinyl)propyl]amino]- benzoyl]-L-glutamic acid (1) (5-DACTHF, 543U76), an acyclic analogue of 5,6,7,8-tetrahydrofolic acid (THFA), are described. The key intermediate, hemiaminal 8, was prepared in four stage... aid3139.table aid3139.tbin
3140 1 Title: Synthesis and biological activity of an acyclic analogue of 5,6,7,8-tetrahydrofolic acid, N-[4-[[3-(2,4-diamino-1,6-dihydro-6-oxo-5- pyrimidinyl)propyl]amino]-benzoyl]-L-glutamic acid. Abstract: The synthesis and biological evaluation of N-[4-[[3-(2,4-diamino-1,6-dihydro-6-oxo-5-pyrimidinyl)propyl]amino]- benzoyl]-L-glutamic acid (1) (5-DACTHF, 543U76), an acyclic analogue of 5,6,7,8-tetrahydrofolic acid (THFA), are described. The key intermediate, hemiaminal 8, was prepared in four stage... aid3140.table aid3140.tbin
3141 2 Title: Synthesis and biological activity of an acyclic analogue of 5,6,7,8-tetrahydrofolic acid, N-[4-[[3-(2,4-diamino-1,6-dihydro-6-oxo-5- pyrimidinyl)propyl]amino]-benzoyl]-L-glutamic acid. Abstract: The synthesis and biological evaluation of N-[4-[[3-(2,4-diamino-1,6-dihydro-6-oxo-5-pyrimidinyl)propyl]amino]- benzoyl]-L-glutamic acid (1) (5-DACTHF, 543U76), an acyclic analogue of 5,6,7,8-tetrahydrofolic acid (THFA), are described. The key intermediate, hemiaminal 8, was prepared in four stage... aid3141.table aid3141.tbin
3142 1 Title: Synthesis and biological activity of an acyclic analogue of 5,6,7,8-tetrahydrofolic acid, N-[4-[[3-(2,4-diamino-1,6-dihydro-6-oxo-5- pyrimidinyl)propyl]amino]-benzoyl]-L-glutamic acid. Abstract: The synthesis and biological evaluation of N-[4-[[3-(2,4-diamino-1,6-dihydro-6-oxo-5-pyrimidinyl)propyl]amino]- benzoyl]-L-glutamic acid (1) (5-DACTHF, 543U76), an acyclic analogue of 5,6,7,8-tetrahydrofolic acid (THFA), are described. The key intermediate, hemiaminal 8, was prepared in four stage... aid3142.table aid3142.tbin
3143 2 Title: Synthesis and biological activity of an acyclic analogue of 5,6,7,8-tetrahydrofolic acid, N-[4-[[3-(2,4-diamino-1,6-dihydro-6-oxo-5- pyrimidinyl)propyl]amino]-benzoyl]-L-glutamic acid. Abstract: The synthesis and biological evaluation of N-[4-[[3-(2,4-diamino-1,6-dihydro-6-oxo-5-pyrimidinyl)propyl]amino]- benzoyl]-L-glutamic acid (1) (5-DACTHF, 543U76), an acyclic analogue of 5,6,7,8-tetrahydrofolic acid (THFA), are described. The key intermediate, hemiaminal 8, was prepared in four stage... aid3143.table aid3143.tbin
3144 1 Title: Synthesis of pseudo cofactor analogues as potential inhibitors of the folate enzymes. Abstract: Reaction of 5,6,7,8-tetrahydrofolic acid (THF,7) with phosgene, thiophosgene, and cyanogen bromide gave the bridged derivatives, 5,10-(CO)-THF (8), 5,10-(CS)-THF (9), and 5,10-(C = NH)-THF (11), respectively. Catalytic hydrogenation of 10-(chloroacetyl)folic acid (2) gave 5,10-(CH2CO)-THF (12). A similar reaction with 10-(3-chloropropionyl)folic acid (3) gave 10-(ClCH2CH2CO)-THF (14) rather tha... aid3144.table aid3144.tbin
3145 1 Title: Synthesis of pseudo cofactor analogues as potential inhibitors of the folate enzymes. Abstract: Reaction of 5,6,7,8-tetrahydrofolic acid (THF,7) with phosgene, thiophosgene, and cyanogen bromide gave the bridged derivatives, 5,10-(CO)-THF (8), 5,10-(CS)-THF (9), and 5,10-(C = NH)-THF (11), respectively. Catalytic hydrogenation of 10-(chloroacetyl)folic acid (2) gave 5,10-(CH2CO)-THF (12). A similar reaction with 10-(3-chloropropionyl)folic acid (3) gave 10-(ClCH2CH2CO)-THF (14) rather tha... aid3145.table aid3145.tbin
3146 2 Title: Synthesis of pseudo cofactor analogues as potential inhibitors of the folate enzymes. Abstract: Reaction of 5,6,7,8-tetrahydrofolic acid (THF,7) with phosgene, thiophosgene, and cyanogen bromide gave the bridged derivatives, 5,10-(CO)-THF (8), 5,10-(CS)-THF (9), and 5,10-(C = NH)-THF (11), respectively. Catalytic hydrogenation of 10-(chloroacetyl)folic acid (2) gave 5,10-(CH2CO)-THF (12). A similar reaction with 10-(3-chloropropionyl)folic acid (3) gave 10-(ClCH2CH2CO)-THF (14) rather tha... aid3146.table aid3146.tbin
3147 1 Title: Synthesis of pseudo cofactor analogues as potential inhibitors of the folate enzymes. Abstract: Reaction of 5,6,7,8-tetrahydrofolic acid (THF,7) with phosgene, thiophosgene, and cyanogen bromide gave the bridged derivatives, 5,10-(CO)-THF (8), 5,10-(CS)-THF (9), and 5,10-(C = NH)-THF (11), respectively. Catalytic hydrogenation of 10-(chloroacetyl)folic acid (2) gave 5,10-(CH2CO)-THF (12). A similar reaction with 10-(3-chloropropionyl)folic acid (3) gave 10-(ClCH2CH2CO)-THF (14) rather tha... aid3147.table aid3147.tbin
3148 1 Title: Synthesis of pseudo cofactor analogues as potential inhibitors of the folate enzymes. Abstract: Reaction of 5,6,7,8-tetrahydrofolic acid (THF,7) with phosgene, thiophosgene, and cyanogen bromide gave the bridged derivatives, 5,10-(CO)-THF (8), 5,10-(CS)-THF (9), and 5,10-(C = NH)-THF (11), respectively. Catalytic hydrogenation of 10-(chloroacetyl)folic acid (2) gave 5,10-(CH2CO)-THF (12). A similar reaction with 10-(3-chloropropionyl)folic acid (3) gave 10-(ClCH2CH2CO)-THF (14) rather tha... aid3148.table aid3148.tbin
3149 2 Title: Synthesis of pseudo cofactor analogues as potential inhibitors of the folate enzymes. Abstract: Reaction of 5,6,7,8-tetrahydrofolic acid (THF,7) with phosgene, thiophosgene, and cyanogen bromide gave the bridged derivatives, 5,10-(CO)-THF (8), 5,10-(CS)-THF (9), and 5,10-(C = NH)-THF (11), respectively. Catalytic hydrogenation of 10-(chloroacetyl)folic acid (2) gave 5,10-(CH2CO)-THF (12). A similar reaction with 10-(3-chloropropionyl)folic acid (3) gave 10-(ClCH2CH2CO)-THF (14) rather tha... aid3149.table aid3149.tbin
3150 1 Title: Synthesis of pseudo cofactor analogues as potential inhibitors of the folate enzymes. Abstract: Reaction of 5,6,7,8-tetrahydrofolic acid (THF,7) with phosgene, thiophosgene, and cyanogen bromide gave the bridged derivatives, 5,10-(CO)-THF (8), 5,10-(CS)-THF (9), and 5,10-(C = NH)-THF (11), respectively. Catalytic hydrogenation of 10-(chloroacetyl)folic acid (2) gave 5,10-(CH2CO)-THF (12). A similar reaction with 10-(3-chloropropionyl)folic acid (3) gave 10-(ClCH2CH2CO)-THF (14) rather tha... aid3150.table aid3150.tbin
3151 2 Title: Synthesis of pseudo cofactor analogues as potential inhibitors of the folate enzymes. Abstract: Reaction of 5,6,7,8-tetrahydrofolic acid (THF,7) with phosgene, thiophosgene, and cyanogen bromide gave the bridged derivatives, 5,10-(CO)-THF (8), 5,10-(CS)-THF (9), and 5,10-(C = NH)-THF (11), respectively. Catalytic hydrogenation of 10-(chloroacetyl)folic acid (2) gave 5,10-(CH2CO)-THF (12). A similar reaction with 10-(3-chloropropionyl)folic acid (3) gave 10-(ClCH2CH2CO)-THF (14) rather tha... aid3151.table aid3151.tbin
3152 1 Title: Synthesis of pseudo cofactor analogues as potential inhibitors of the folate enzymes. Abstract: Reaction of 5,6,7,8-tetrahydrofolic acid (THF,7) with phosgene, thiophosgene, and cyanogen bromide gave the bridged derivatives, 5,10-(CO)-THF (8), 5,10-(CS)-THF (9), and 5,10-(C = NH)-THF (11), respectively. Catalytic hydrogenation of 10-(chloroacetyl)folic acid (2) gave 5,10-(CH2CO)-THF (12). A similar reaction with 10-(3-chloropropionyl)folic acid (3) gave 10-(ClCH2CH2CO)-THF (14) rather tha... aid3152.table aid3152.tbin
3153 1 Title: Synthesis of pseudo cofactor analogues as potential inhibitors of the folate enzymes. Abstract: Reaction of 5,6,7,8-tetrahydrofolic acid (THF,7) with phosgene, thiophosgene, and cyanogen bromide gave the bridged derivatives, 5,10-(CO)-THF (8), 5,10-(CS)-THF (9), and 5,10-(C = NH)-THF (11), respectively. Catalytic hydrogenation of 10-(chloroacetyl)folic acid (2) gave 5,10-(CH2CO)-THF (12). A similar reaction with 10-(3-chloropropionyl)folic acid (3) gave 10-(ClCH2CH2CO)-THF (14) rather tha... aid3153.table aid3153.tbin
3154 1 Title: Synthesis of pseudo cofactor analogues as potential inhibitors of the folate enzymes. Abstract: Reaction of 5,6,7,8-tetrahydrofolic acid (THF,7) with phosgene, thiophosgene, and cyanogen bromide gave the bridged derivatives, 5,10-(CO)-THF (8), 5,10-(CS)-THF (9), and 5,10-(C = NH)-THF (11), respectively. Catalytic hydrogenation of 10-(chloroacetyl)folic acid (2) gave 5,10-(CH2CO)-THF (12). A similar reaction with 10-(3-chloropropionyl)folic acid (3) gave 10-(ClCH2CH2CO)-THF (14) rather tha... aid3154.table aid3154.tbin
3155 1 Title: Synthesis of pseudo cofactor analogues as potential inhibitors of the folate enzymes. Abstract: Reaction of 5,6,7,8-tetrahydrofolic acid (THF,7) with phosgene, thiophosgene, and cyanogen bromide gave the bridged derivatives, 5,10-(CO)-THF (8), 5,10-(CS)-THF (9), and 5,10-(C = NH)-THF (11), respectively. Catalytic hydrogenation of 10-(chloroacetyl)folic acid (2) gave 5,10-(CH2CO)-THF (12). A similar reaction with 10-(3-chloropropionyl)folic acid (3) gave 10-(ClCH2CH2CO)-THF (14) rather tha... aid3155.table aid3155.tbin
3156 1 Title: Synthesis of 5,11-methenyltetrahydrohomofolate and its antifolate activity in vitro. Abstract: The synthesis of 5,11-methenyltetrahydrohomofolate was accomplished by treatment of tetrahydrohomofolate (H4homofolate) with triethyl orthoformate in glacial acetic acid. This compound is a homofolate analogue of 5,10-methenyltetrahydrofolate which serves as one precursor to the 10-formyl one-carbon donor for the first transformylation in de novo purine biosynthesis, namely, the conversion of gl... aid3156.table aid3156.tbin
3157 4 Title: Synthesis of pseudo cofactor analogues as potential inhibitors of the folate enzymes. Abstract: Reaction of 5,6,7,8-tetrahydrofolic acid (THF,7) with phosgene, thiophosgene, and cyanogen bromide gave the bridged derivatives, 5,10-(CO)-THF (8), 5,10-(CS)-THF (9), and 5,10-(C = NH)-THF (11), respectively. Catalytic hydrogenation of 10-(chloroacetyl)folic acid (2) gave 5,10-(CH2CO)-THF (12). A similar reaction with 10-(3-chloropropionyl)folic acid (3) gave 10-(ClCH2CH2CO)-THF (14) rather tha... aid3157.table aid3157.tbin
3158 1 Title: Synthesis of pseudo cofactor analogues as potential inhibitors of the folate enzymes. Abstract: Reaction of 5,6,7,8-tetrahydrofolic acid (THF,7) with phosgene, thiophosgene, and cyanogen bromide gave the bridged derivatives, 5,10-(CO)-THF (8), 5,10-(CS)-THF (9), and 5,10-(C = NH)-THF (11), respectively. Catalytic hydrogenation of 10-(chloroacetyl)folic acid (2) gave 5,10-(CH2CO)-THF (12). A similar reaction with 10-(3-chloropropionyl)folic acid (3) gave 10-(ClCH2CH2CO)-THF (14) rather tha... aid3158.table aid3158.tbin
3159 12 Title: Synthesis and bioevaluation of delta 7-5-desaturase inhibitors, an enzyme late in the biosynthesis of the fungal sterol ergosterol. Abstract: Ergosterol, the predominant sterol of fungi, is postulated to have many cellular functions which include a bulk membrane role and a regulatory role. Studies with sterol auxotrophs show that, even in the presence of sterols which can fulfill the bulk membrane requirements, a small concentration of ergosterol is absolutely necessary for growth. The de... aid3159.table aid3159.tbin
3160 8 Title: Irreversible enzyme inhibitors. 202. Candidate active-site-directed irreversible inhibitors of 5-fluoro-2'-deoxyuridine phosphorylase from Walker 256 rat tumor derived from 1-benzyl-5-(3-ethoxybenzyl)uracil. Abstract: Six candidate irreversible inhibitors of uridine--deoxyuridine phosphorylase (EC 2.4.2.3) from Walker 256 rat tumor were synthesized. These compounds connect a terminal sulfonyl fluoride group to the 1-benzyl moiety of 1-benzyl-5-(3-ethoxybenzyl)uracil (9). Although none of ... aid3160.table aid3160.tbin
3161 9 Title: Irreversible enzyme inhibitors. 202. Candidate active-site-directed irreversible inhibitors of 5-fluoro-2'-deoxyuridine phosphorylase from Walker 256 rat tumor derived from 1-benzyl-5-(3-ethoxybenzyl)uracil. Abstract: Six candidate irreversible inhibitors of uridine--deoxyuridine phosphorylase (EC 2.4.2.3) from Walker 256 rat tumor were synthesized. These compounds connect a terminal sulfonyl fluoride group to the 1-benzyl moiety of 1-benzyl-5-(3-ethoxybenzyl)uracil (9). Although none of ... aid3161.table aid3161.tbin
3162 7 Title: Irreversible enzyme inhibitors. 202. Candidate active-site-directed irreversible inhibitors of 5-fluoro-2'-deoxyuridine phosphorylase from Walker 256 rat tumor derived from 1-benzyl-5-(3-ethoxybenzyl)uracil. Abstract: Six candidate irreversible inhibitors of uridine--deoxyuridine phosphorylase (EC 2.4.2.3) from Walker 256 rat tumor were synthesized. These compounds connect a terminal sulfonyl fluoride group to the 1-benzyl moiety of 1-benzyl-5-(3-ethoxybenzyl)uracil (9). Although none of ... aid3162.table aid3162.tbin
3163 7 Title: Substituted benzamides with conformationally restricted side chains. 5. Azabicyclo[x.y.z] derivatives as 5-HT4 receptor agonists and gastric motility stimulants. Abstract: The syntheses of benzamides containing azabicyclo[x.y.z] side chains and their 5-HT4 receptor agonist and 5-HT3 receptor antagonist properties are described. These compounds were designed to mimic higher energy conformations of quinolizidine and indolizidine. High potency was achieved for both activities although an exa... aid3163.table aid3163.tbin
3164 1 Title: Substituted benzamides with conformationally restricted side chains. 5. Azabicyclo[x.y.z] derivatives as 5-HT4 receptor agonists and gastric motility stimulants. Abstract: The syntheses of benzamides containing azabicyclo[x.y.z] side chains and their 5-HT4 receptor agonist and 5-HT3 receptor antagonist properties are described. These compounds were designed to mimic higher energy conformations of quinolizidine and indolizidine. High potency was achieved for both activities although an exa... aid3164.table aid3164.tbin
3165 8 Title: Substituted benzamides with conformationally restricted side chains. 5. Azabicyclo[x.y.z] derivatives as 5-HT4 receptor agonists and gastric motility stimulants. Abstract: The syntheses of benzamides containing azabicyclo[x.y.z] side chains and their 5-HT4 receptor agonist and 5-HT3 receptor antagonist properties are described. These compounds were designed to mimic higher energy conformations of quinolizidine and indolizidine. High potency was achieved for both activities although an exa... aid3165.table aid3165.tbin
3166 6 Title: Substituted benzamides with conformationally restricted side chains. 5. Azabicyclo[x.y.z] derivatives as 5-HT4 receptor agonists and gastric motility stimulants. Abstract: The syntheses of benzamides containing azabicyclo[x.y.z] side chains and their 5-HT4 receptor agonist and 5-HT3 receptor antagonist properties are described. These compounds were designed to mimic higher energy conformations of quinolizidine and indolizidine. High potency was achieved for both activities although an exa... aid3166.table aid3166.tbin
3167 7 Title: 7-Methyl-6,7,8,9,14,15-hexahydro-5H-benz[d]indolo[2,3-g]azecine: a new heterocyclic system and a new lead compound for dopamine receptor antagonists. Abstract: Partially hydrogenated derivatives of the new heterocyclic ring systems benz[d]indolo[2,3-g]azecine and bisindolo[3,2-d][2, 3-g]azecine were synthesized starting from lactones and amines via the described synthetic methods. In binding assays with rat striatal receptors, 7-methyl-6,7,8,9,14,15-hexahydro-5H-benz[d]indolo[2, 3-g]azeci... aid3167.table aid3167.tbin
3168 5 Title: Novel 2-substituted tetrahydro-3H-benz[e]indolamines: highly potent and selective agonists acting at the 5-HT1A receptor as possible anxiolytics and antidepressants. Abstract: The synthesis of (+)-(R)-2-cyano-N,N-dipropyl-8-amino-6,7,8,9-tetrahydro-3H- benz[e]indole [(R)-14, U92016A], a potent 5-HT1A agonist, and related analogs is described. In vitro binding studies show that the (R)-enantiomers of this series possess the highest potency for the 5-HT1A receptor. In vivo hypothermia corre... aid3168.table aid3168.tbin
3169 1 Title: Demethyl analogues of psychoactive methoxyphenalkylamines: synthesis and serotonin receptor affinities. Abstract: Mono-O-demethylation of several 2,5-dimethoxyphenalkylamines increases their affinity for the serotonin receptors of the isolated rat fundus preparation. In several instances, demethylation of methoxyphenalkylamines results in compounds which produce an antagonism which is not of a competitive nature. With respect to 1-(2,5-dimethoxy-4-methylphenyl)-2-aminopropane (DOM), demet... aid3169.table aid3169.tbin
3170 14 Title: Advances toward new antidepressants beyond SSRIs: 1-aryloxy-3-piperidinylpropan-2-ols with dual 5-HT1A receptor antagonism/SSRI activities. Part 4. Abstract: A series of 1-(1H-indol-4-yloxy)-3-(4-arylpiperidinyl)propan-2-ols possessing potent dual 5-HT(1A) receptor antagonism and serotonin reuptake inhibition was discovered. The fused aryl ring moiety contributed to the robust dual activities irrespective of the regiochemistry associated with its connectivity to the piperidine central rin... aid3170.table aid3170.tbin
3171 1 Title: Advances toward new antidepressants beyond SSRIs: 1-aryloxy-3-piperidinylpropan-2-ols with dual 5-HT1A receptor antagonism/SSRI activities. Part 4. Abstract: A series of 1-(1H-indol-4-yloxy)-3-(4-arylpiperidinyl)propan-2-ols possessing potent dual 5-HT(1A) receptor antagonism and serotonin reuptake inhibition was discovered. The fused aryl ring moiety contributed to the robust dual activities irrespective of the regiochemistry associated with its connectivity to the piperidine central rin... aid3171.table aid3171.tbin
3172 2 Title: Inhibition and inactivation of presynaptic cholinergic markers using redox-reactive choline analogs. Abstract: Inhibition and inactivation of two presynaptic cholinergic &quot;markers&quot;, choline acetyltransferase and high affinity choline transporter, has been investigated using inhibitors designed with a redox-reactive catechol tethered to a quaternary ammonium group. Two quaternary ammonium alkyl-substituted catechols, 3[(trimethylammonio)methyl]catechol (TMC, 1) and N,N-dimethylepi... aid3172.table aid3172.tbin
3173 2 Title: Inhibition and inactivation of presynaptic cholinergic markers using redox-reactive choline analogs. Abstract: Inhibition and inactivation of two presynaptic cholinergic &quot;markers&quot;, choline acetyltransferase and high affinity choline transporter, has been investigated using inhibitors designed with a redox-reactive catechol tethered to a quaternary ammonium group. Two quaternary ammonium alkyl-substituted catechols, 3[(trimethylammonio)methyl]catechol (TMC, 1) and N,N-dimethylepi... aid3173.table aid3173.tbin
3174 1 Title: Inhibition and inactivation of presynaptic cholinergic markers using redox-reactive choline analogs. Abstract: Inhibition and inactivation of two presynaptic cholinergic &quot;markers&quot;, choline acetyltransferase and high affinity choline transporter, has been investigated using inhibitors designed with a redox-reactive catechol tethered to a quaternary ammonium group. Two quaternary ammonium alkyl-substituted catechols, 3[(trimethylammonio)methyl]catechol (TMC, 1) and N,N-dimethylepi... aid3174.table aid3174.tbin
3175 1 Title: Inhibition and inactivation of presynaptic cholinergic markers using redox-reactive choline analogs. Abstract: Inhibition and inactivation of two presynaptic cholinergic &quot;markers&quot;, choline acetyltransferase and high affinity choline transporter, has been investigated using inhibitors designed with a redox-reactive catechol tethered to a quaternary ammonium group. Two quaternary ammonium alkyl-substituted catechols, 3[(trimethylammonio)methyl]catechol (TMC, 1) and N,N-dimethylepi... aid3175.table aid3175.tbin
3176 1 Title: First tricyclic oximino derivatives as 5-HT3 ligands. Abstract: The design and synthesis of a new type of 5-HT3 ligand with subnanomolar affinity are described. The O-dialkylaminoethyloximinothienopyrrolizine structure was deduced from molecular modeling studies by replacement of an amidine moiety by an oximino one. aid3176.table aid3176.tbin
3177 11 Title: New selective and potent 5-HT(1B/1D) antagonists: chemistry and pharmacological evaluation of N-piperazinylphenyl biphenylcarboxamides and biphenylsulfonamides. Abstract: A series of new analogues of N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl] 2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)biphenyl-4-carboxamide (1; GR127935) as potent and selective 5-HT(1B/1D) antagonists were synthesized and evaluated pharmacologically. Their receptor binding profiles were comparable to that of 1. The 1... aid3177.table aid3177.tbin
3178 11 Title: New selective and potent 5-HT(1B/1D) antagonists: chemistry and pharmacological evaluation of N-piperazinylphenyl biphenylcarboxamides and biphenylsulfonamides. Abstract: A series of new analogues of N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl] 2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)biphenyl-4-carboxamide (1; GR127935) as potent and selective 5-HT(1B/1D) antagonists were synthesized and evaluated pharmacologically. Their receptor binding profiles were comparable to that of 1. The 1... aid3178.table aid3178.tbin
3179 9 Title: Synthesis of 2-piperazinylbenzothiazole and 2-piperazinylbenzoxazole derivatives with 5-HT3 antagonist and 5-HT4 agonist properties. Abstract: New 2-piperazinylbenzothiazole and 2-piperazinylbenzoxazole derivatives were prepared and tested as 5-HT3 receptor antagonists. Some of the new compounds antagonized the effect of 5-HT at the longitudinal muscle myenteric plexus (LMMP) preparation of the guinea pig ileum, and two benzothiazole derivatives, compounds 2e and 2f, were more potent than... aid3179.table aid3179.tbin
3180 2 Title: Synthesis of 2-piperazinylbenzothiazole and 2-piperazinylbenzoxazole derivatives with 5-HT3 antagonist and 5-HT4 agonist properties. Abstract: New 2-piperazinylbenzothiazole and 2-piperazinylbenzoxazole derivatives were prepared and tested as 5-HT3 receptor antagonists. Some of the new compounds antagonized the effect of 5-HT at the longitudinal muscle myenteric plexus (LMMP) preparation of the guinea pig ileum, and two benzothiazole derivatives, compounds 2e and 2f, were more potent than... aid3180.table aid3180.tbin
3181 2 Title: N-(1-arylpropionyl)-4-aryltetrahydropyridines, a new class of high-affinity selective sigma receptor ligands. Abstract: A series of N-(1-arylpropionyl)-4-aryl-1,2,3,6-tetrahydropyridines, prepared by simple Mannich condensations, have been found by radioligand binding assays to have moderate to high affinity (IC50 0.5-500 nM) for bovine cerebellar sigma receptor/binding sites and no measurable affinity (IC50 &gt; 5000 nM) for bovine striatal D2 receptors. The most active of these compound... aid3181.table aid3181.tbin
3182 1 Title: N-(1-arylpropionyl)-4-aryltetrahydropyridines, a new class of high-affinity selective sigma receptor ligands. Abstract: A series of N-(1-arylpropionyl)-4-aryl-1,2,3,6-tetrahydropyridines, prepared by simple Mannich condensations, have been found by radioligand binding assays to have moderate to high affinity (IC50 0.5-500 nM) for bovine cerebellar sigma receptor/binding sites and no measurable affinity (IC50 &gt; 5000 nM) for bovine striatal D2 receptors. The most active of these compound... aid3182.table aid3182.tbin
3183 5 Title: Novel antagonists of 5-HT3 receptors. Synthesis and biological evaluation of piperazinylquinoxaline derivatives. Abstract: A series of piperazinylquinoxalines has been synthesized and studied as 5-HT3 receptor antagonists in different preparations. Antagonism to 5-HT in the longitudinal muscle of the guinea pig ileum was particularly prominent in cyanoquinoxaline derivatives with an alkyl substitutuent on the piperazine moiety. The pA2 of some selected compounds against the 5-HT3 agonist ... aid3183.table aid3183.tbin
3184 3 Title: Dopaminergic and serotonergic activities of imidazoquinolinones and related compounds. Abstract: The synthesis of 5-(dipropylamino)-5,6-dihydro-4H-imidazo[4,5,1-ij] quinolin-2(1H)-one (5), a potent dopamine D2 agonist showing high dopamine/serotonin (5HT1A) selectivity, is described. Dopaminergic activity is associated with the (R)-enantiomer of 5; the (S)-enantiomer shows no dopaminergic activity. A series of analogues where the imidazolone ring was modified to various 5- or 6-membered h... aid3184.table aid3184.tbin
3185 4 Title: Preparation and biodistribution of 1-[2-(3-[125I]iodo-4-aminophenyl)ethyl]-4-[3-(trifluoromethyl) phenyl]piperazine and 1-[2-(3-[125I]iodo-4-azidophenyl)ethyl]-4-[3-(trifluoromethyl)phenyl] piperazine. Abstract: The iodinated analogue of 1-[2-(4-aminophenyl)ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine (PAPP), IPAPP (4), and the corresponding azido compound azido-IPAPP (5) were synthesized. The corresponding no-carrier-added 125I (T1/2 = 60 days, 35-60 keV) labeled compounds were also pr... aid3185.table aid3185.tbin
3186 1 Title: Preparation and biodistribution of 1-[2-(3-[125I]iodo-4-aminophenyl)ethyl]-4-[3-(trifluoromethyl) phenyl]piperazine and 1-[2-(3-[125I]iodo-4-azidophenyl)ethyl]-4-[3-(trifluoromethyl)phenyl] piperazine. Abstract: The iodinated analogue of 1-[2-(4-aminophenyl)ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine (PAPP), IPAPP (4), and the corresponding azido compound azido-IPAPP (5) were synthesized. The corresponding no-carrier-added 125I (T1/2 = 60 days, 35-60 keV) labeled compounds were also pr... aid3186.table aid3186.tbin
3187 1 Title: Preparation and biodistribution of 1-[2-(3-[125I]iodo-4-aminophenyl)ethyl]-4-[3-(trifluoromethyl) phenyl]piperazine and 1-[2-(3-[125I]iodo-4-azidophenyl)ethyl]-4-[3-(trifluoromethyl)phenyl] piperazine. Abstract: The iodinated analogue of 1-[2-(4-aminophenyl)ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine (PAPP), IPAPP (4), and the corresponding azido compound azido-IPAPP (5) were synthesized. The corresponding no-carrier-added 125I (T1/2 = 60 days, 35-60 keV) labeled compounds were also pr... aid3187.table aid3187.tbin
3188 1 Title: Improvement in the selectivity and metabolic stability of the serotonin 5-HT(1A) ligand, S 15535: a series of cis- and trans-2-(arylcycloalkylamine) 1-indanols. Abstract: S 15535 (1) displays a distinctive profile of agonist and antagonist (weak partial agonist) activity at pre- and postsynaptic 5-HT(1A) receptors, respectively. It has proven to be active in several models predictive of anxiolytic, antidepressant, and procognitive properties. In an attempt to increase its selectivity and ... aid3188.table aid3188.tbin
3189 2 Title: Synthesis and serotonergic pharmacology of the enantiomers of 3-[(N-methylpyrrolidin-2-yl)methyl]-5-methoxy-1H-indole: discovery of stereogenic differentiation in the aminoethyl side chain of the neurotransmitter serotonin. aid3189.table aid3189.tbin
3190 2 Title: A novel, potent, and selective 5-HT(7) antagonist: (R)-3-(2-(2-(4-methylpiperidin-1-yl)ethyl)pyrrolidine-1-sulfonyl) phen ol (SB-269970). aid3190.table aid3190.tbin
3191 1 Title: Thieno[3,2-b]- and thieno[2,3-b]pyrrole bioisosteric analogues of the hallucinogen and serotonin agonist N,N-dimethyltryptamine. Abstract: The synthesis and biological activity of 6-[2-(N, N-dimethylamino)ethyl]-4H-thieno[3,2-b]pyrrole (3a) and 4-[2-(N, N-dimethylamino)ethyl]-6H-thieno[2,3-b]pyrrole (3b), thienopyrroles as potential bioisosteres of N,N-dimethyltryptamine (1a), are reported. Hallucinogen-like activity was evaluated in the two-lever drug discrimination paradigm using LSD- a... aid3191.table aid3191.tbin
3192 4 Title: Thieno[3,2-b]- and thieno[2,3-b]pyrrole bioisosteric analogues of the hallucinogen and serotonin agonist N,N-dimethyltryptamine. Abstract: The synthesis and biological activity of 6-[2-(N, N-dimethylamino)ethyl]-4H-thieno[3,2-b]pyrrole (3a) and 4-[2-(N, N-dimethylamino)ethyl]-6H-thieno[2,3-b]pyrrole (3b), thienopyrroles as potential bioisosteres of N,N-dimethyltryptamine (1a), are reported. Hallucinogen-like activity was evaluated in the two-lever drug discrimination paradigm using LSD- a... aid3192.table aid3192.tbin
3193 6 Title: Cycloalkanecarboxylic esters derived from lysergol, dihydrolysergol-I, and elymoclavine as partial agonists and antagonists at rat 5-HT2A receptors: pharmacological evidence that the indolo[4,3-fg]quinoline system of the ergolines is responsible for high 5-HT2A receptor affinity. Abstract: Three series of cycloalkanecarboxylic esters derived from the naturally occurring clavine alkaloids lysergol, dihydrolysergol-I, and elymoclavine were synthesized to study their interaction with 5-HT2A ... aid3193.table aid3193.tbin
3194 6 Title: Cycloalkanecarboxylic esters derived from lysergol, dihydrolysergol-I, and elymoclavine as partial agonists and antagonists at rat 5-HT2A receptors: pharmacological evidence that the indolo[4,3-fg]quinoline system of the ergolines is responsible for high 5-HT2A receptor affinity. Abstract: Three series of cycloalkanecarboxylic esters derived from the naturally occurring clavine alkaloids lysergol, dihydrolysergol-I, and elymoclavine were synthesized to study their interaction with 5-HT2A ... aid3194.table aid3194.tbin
3195 25 Title: Cycloalkanecarboxylic esters derived from lysergol, dihydrolysergol-I, and elymoclavine as partial agonists and antagonists at rat 5-HT2A receptors: pharmacological evidence that the indolo[4,3-fg]quinoline system of the ergolines is responsible for high 5-HT2A receptor affinity. Abstract: Three series of cycloalkanecarboxylic esters derived from the naturally occurring clavine alkaloids lysergol, dihydrolysergol-I, and elymoclavine were synthesized to study their interaction with 5-HT2A ... aid3195.table aid3195.tbin
3196 6 Title: Cycloalkanecarboxylic esters derived from lysergol, dihydrolysergol-I, and elymoclavine as partial agonists and antagonists at rat 5-HT2A receptors: pharmacological evidence that the indolo[4,3-fg]quinoline system of the ergolines is responsible for high 5-HT2A receptor affinity. Abstract: Three series of cycloalkanecarboxylic esters derived from the naturally occurring clavine alkaloids lysergol, dihydrolysergol-I, and elymoclavine were synthesized to study their interaction with 5-HT2A ... aid3196.table aid3196.tbin
3197 1 Title: Cycloalkanecarboxylic esters derived from lysergol, dihydrolysergol-I, and elymoclavine as partial agonists and antagonists at rat 5-HT2A receptors: pharmacological evidence that the indolo[4,3-fg]quinoline system of the ergolines is responsible for high 5-HT2A receptor affinity. Abstract: Three series of cycloalkanecarboxylic esters derived from the naturally occurring clavine alkaloids lysergol, dihydrolysergol-I, and elymoclavine were synthesized to study their interaction with 5-HT2A ... aid3197.table aid3197.tbin
3198 11 Title: Cycloalkanecarboxylic esters derived from lysergol, dihydrolysergol-I, and elymoclavine as partial agonists and antagonists at rat 5-HT2A receptors: pharmacological evidence that the indolo[4,3-fg]quinoline system of the ergolines is responsible for high 5-HT2A receptor affinity. Abstract: Three series of cycloalkanecarboxylic esters derived from the naturally occurring clavine alkaloids lysergol, dihydrolysergol-I, and elymoclavine were synthesized to study their interaction with 5-HT2A ... aid3198.table aid3198.tbin
3199 1 Evaluated for the agonistic activity against 5-HT4 receptor in non-electrically stimulated guinea-pig ileum. aid3199.table aid3199.tbin
3200 7 Agonistic activity against Serotonin 5-HT4 receptor in low frequency field stimulation of guinea-pig ileum (FSGPI) aid3200.table aid3200.tbin
3201 3 Evaluated for the agonistic activity against Serotonin 5-HT4 receptor in non-electrically stimulated guinea-pig ileum. aid3201.table aid3201.tbin
3202 2 Title: Development of high-affinity 5-HT3 receptor antagonists. Structure-affinity relationships of novel 1,7-annelated indole derivatives. Abstract: On the basis of the structures of ondansetron and GR 65,630, its ring-opened C-linked methylimidazole analogue, novel 1,7-annelated indole derivatives were synthesized as potential 5-HT3 antagonists. Receptor binding studies show that all compounds display a high affinity for the 5-HT3 receptors. In both series annelation results in compounds being... aid3202.table aid3202.tbin
3203 7 Antagonist activity against 5-HT4 receptor mediated relaxation of rat carbachol contracted esophageal muscularis mucosae aid3203.table aid3203.tbin
3204 1 Title: Evolution of a novel series of [(N,N-dimethylamino)propyl]- and piperazinylbenzanilides as the first selective 5-HT1D antagonists. aid3204.table aid3204.tbin
3205 5 Title: Arocalciferols: synthesis and biological evaluation of aromatic side-chain analogues of 1 alpha,25-dihydroxyvitamin D3(1a). Abstract: Aromatic side-chain analogues (arocalciferols 6-9) of the steroid hormone 1 alpha,25-dihydroxyvitamin D3 (1) were synthesized and biologically evaluated. The analogues were prepared by coupling the vitamin D A-ring enyne 14 with the appropriate enol triflate of a modified CD steroid fragment of the type 22. The resulting dienyne 23 was then transformed in t... aid3205.table aid3205.tbin
3206 1 Title: Arocalciferols: synthesis and biological evaluation of aromatic side-chain analogues of 1 alpha,25-dihydroxyvitamin D3(1a). Abstract: Aromatic side-chain analogues (arocalciferols 6-9) of the steroid hormone 1 alpha,25-dihydroxyvitamin D3 (1) were synthesized and biologically evaluated. The analogues were prepared by coupling the vitamin D A-ring enyne 14 with the appropriate enol triflate of a modified CD steroid fragment of the type 22. The resulting dienyne 23 was then transformed in t... aid3206.table aid3206.tbin
3207 1 Title: Arocalciferols: synthesis and biological evaluation of aromatic side-chain analogues of 1 alpha,25-dihydroxyvitamin D3(1a). Abstract: Aromatic side-chain analogues (arocalciferols 6-9) of the steroid hormone 1 alpha,25-dihydroxyvitamin D3 (1) were synthesized and biologically evaluated. The analogues were prepared by coupling the vitamin D A-ring enyne 14 with the appropriate enol triflate of a modified CD steroid fragment of the type 22. The resulting dienyne 23 was then transformed in t... aid3207.table aid3207.tbin
3208 1 Title: Arocalciferols: synthesis and biological evaluation of aromatic side-chain analogues of 1 alpha,25-dihydroxyvitamin D3(1a). Abstract: Aromatic side-chain analogues (arocalciferols 6-9) of the steroid hormone 1 alpha,25-dihydroxyvitamin D3 (1) were synthesized and biologically evaluated. The analogues were prepared by coupling the vitamin D A-ring enyne 14 with the appropriate enol triflate of a modified CD steroid fragment of the type 22. The resulting dienyne 23 was then transformed in t... aid3208.table aid3208.tbin
3209 4 Title: Arocalciferols: synthesis and biological evaluation of aromatic side-chain analogues of 1 alpha,25-dihydroxyvitamin D3(1a). Abstract: Aromatic side-chain analogues (arocalciferols 6-9) of the steroid hormone 1 alpha,25-dihydroxyvitamin D3 (1) were synthesized and biologically evaluated. The analogues were prepared by coupling the vitamin D A-ring enyne 14 with the appropriate enol triflate of a modified CD steroid fragment of the type 22. The resulting dienyne 23 was then transformed in t... aid3209.table aid3209.tbin
3210 4 Title: Arocalciferols: synthesis and biological evaluation of aromatic side-chain analogues of 1 alpha,25-dihydroxyvitamin D3(1a). Abstract: Aromatic side-chain analogues (arocalciferols 6-9) of the steroid hormone 1 alpha,25-dihydroxyvitamin D3 (1) were synthesized and biologically evaluated. The analogues were prepared by coupling the vitamin D A-ring enyne 14 with the appropriate enol triflate of a modified CD steroid fragment of the type 22. The resulting dienyne 23 was then transformed in t... aid3210.table aid3210.tbin
3211 1 Title: Selective, orally active gamma-aminobutyric acidA alpha5 receptor inverse agonists as cognition enhancers. Abstract: Nonselective inverse agonists at the gamma-aminobutyric acid(A) (GABA-A) benzodiazepine binding site have cognition-enhancing effects in animals but are anxiogenic and can precipitate convulsions. Herein, we describe novel GABA-A alpha5 subtype inverse agonists leading to the identification of 16 as an orally active, functionally selective compound that enhances cognition i... aid3211.table aid3211.tbin
3212 1 Title: The design and synthesis of water-soluble analogues of CB30865, a quinazolin-4-one-based antitumor agent. Abstract: 4-[N-[7-Bromo-2-methyl-4-oxo-3,4-dihydroquinazolin-6-ylmethyl]-N-(prop-2-ynyl)amino]-N-(3-pyridylmethyl)benzamide (CB30865) is a quinazolin-4-one antitumor agent whose high growth-inhibitory activity (W1L2 IC(50) = 2.8 +/- 0.50 nM) is believed to have a folate-independent locus of action. In addition, CB30865 represents a class of compounds with unique biochemical characteri... aid3212.table aid3212.tbin
3213 1 Title: Emerging molecular approaches to pain therapy. aid3213.table aid3213.tbin
3214 3 Title: Structure-activity studies of antitumor agents based on pyrrolo[1,2-a]benzimidazoles: new reductive alkylating DNA cleaving agents. Abstract: Described herein are structure-activity studies of new antitumor agents based on the pyrrolo[1,2-a]benzimidazole (PBI) ring system. These compounds were designed as new DNA cross-linkers mimicking the mitomycin antitumor agents. Actually, the PBI derivatives were found to have anthracycline-like features: (i) shared cross resistance with doxorubicin... aid3214.table aid3214.tbin
3215 3 Title: Structure-activity studies of antitumor agents based on pyrrolo[1,2-a]benzimidazoles: new reductive alkylating DNA cleaving agents. Abstract: Described herein are structure-activity studies of new antitumor agents based on the pyrrolo[1,2-a]benzimidazole (PBI) ring system. These compounds were designed as new DNA cross-linkers mimicking the mitomycin antitumor agents. Actually, the PBI derivatives were found to have anthracycline-like features: (i) shared cross resistance with doxorubicin... aid3215.table aid3215.tbin
3216 10 Title: Highly increased cellular accumulation of vincristine, a useful hydrophobic antitumor-drug, in multidrug-resistant solid cancer cells induced by a simply reduced taxinine. Abstract: Regio- and/or chemo-selective reductions of taxinine (1a), a taxane diterpenoid readily obtainable from the needles of a Japanese yew (Taxus cuspidata), at the 5-O-cinnamoyl and 4-exo-methylene moieties have been accomplished by the catalytic hydrogenation over Pd/C or Rh/C to obtain 5-O-phenylpropionylated ta... aid3216.table aid3216.tbin
3217 3 Title: Experimental precedent for the need to involve the primary hydration layer of DNA in lead drug design. aid3217.table aid3217.tbin
3218 3 Title: Experimental precedent for the need to involve the primary hydration layer of DNA in lead drug design. aid3218.table aid3218.tbin
3219 3 Title: Experimental precedent for the need to involve the primary hydration layer of DNA in lead drug design. aid3219.table aid3219.tbin
3220 3 Title: Experimental precedent for the need to involve the primary hydration layer of DNA in lead drug design. aid3220.table aid3220.tbin
3221 14 Title: Structure activity of 3-aryl-1,3-diketo-containing compounds as HIV-1 integrase inhibitors. Abstract: The 4-aryl-2-hydroxy-4-oxo-2-butenoic acids and their isosteric tetrazoles are among an emerging class of aryl beta-diketo (ADK)-based agents which exhibit potent inhibition of HIV-1 integrase (IN)-catalyzed strand transfer (ST) processes, while having much reduced potencies against 3'-processing (3'-P) reactions. In the current study, L-708,906 (10e) and 5CITEP (13b), which are two examp... aid3221.table aid3221.tbin
3222 14 Title: Structure activity of 3-aryl-1,3-diketo-containing compounds as HIV-1 integrase inhibitors. Abstract: The 4-aryl-2-hydroxy-4-oxo-2-butenoic acids and their isosteric tetrazoles are among an emerging class of aryl beta-diketo (ADK)-based agents which exhibit potent inhibition of HIV-1 integrase (IN)-catalyzed strand transfer (ST) processes, while having much reduced potencies against 3'-processing (3'-P) reactions. In the current study, L-708,906 (10e) and 5CITEP (13b), which are two examp... aid3222.table aid3222.tbin
3223 2 Title: Structure activity of 3-aryl-1,3-diketo-containing compounds as HIV-1 integrase inhibitors. Abstract: The 4-aryl-2-hydroxy-4-oxo-2-butenoic acids and their isosteric tetrazoles are among an emerging class of aryl beta-diketo (ADK)-based agents which exhibit potent inhibition of HIV-1 integrase (IN)-catalyzed strand transfer (ST) processes, while having much reduced potencies against 3'-processing (3'-P) reactions. In the current study, L-708,906 (10e) and 5CITEP (13b), which are two examp... aid3223.table aid3223.tbin
3224 2 Title: Effects of isoprenoid analogues of SDB-ethylenediamine on multidrug resistant tumor cells alone and in combination with chemotherapeutic drugs. Abstract: Multidrug resistance (MDR) mediated by P-glycoprotein (Pgp) remains the major obstacle for successful treatment of cancer. Inhibition of Pgp transport is important for higher efficacy of anticancer drugs. Lipophilic cationogenic amines with at least one tertiary N atom, such as verapamil, are classical PgP-blocking agents. In a search fo... aid3224.table aid3224.tbin
3225 3 Title: Effects of isoprenoid analogues of SDB-ethylenediamine on multidrug resistant tumor cells alone and in combination with chemotherapeutic drugs. Abstract: Multidrug resistance (MDR) mediated by P-glycoprotein (Pgp) remains the major obstacle for successful treatment of cancer. Inhibition of Pgp transport is important for higher efficacy of anticancer drugs. Lipophilic cationogenic amines with at least one tertiary N atom, such as verapamil, are classical PgP-blocking agents. In a search fo... aid3225.table aid3225.tbin
3226 1 Title: Effects of isoprenoid analogues of SDB-ethylenediamine on multidrug resistant tumor cells alone and in combination with chemotherapeutic drugs. Abstract: Multidrug resistance (MDR) mediated by P-glycoprotein (Pgp) remains the major obstacle for successful treatment of cancer. Inhibition of Pgp transport is important for higher efficacy of anticancer drugs. Lipophilic cationogenic amines with at least one tertiary N atom, such as verapamil, are classical PgP-blocking agents. In a search fo... aid3226.table aid3226.tbin
3227 2 Title: Pharmacological options in the treatment of benign prostatic hyperplasia. aid3227.table aid3227.tbin
3228 13 Title: Pharmacological options in the treatment of benign prostatic hyperplasia. aid3228.table aid3228.tbin
3229 11 Title: Selective thyromimetics. Cardiac-sparing thyroid hormone analogues containing 3'-arylmethyl substituents. Abstract: Introduction of specific arylmethyl groups at the 3'-position of the thyroid hormone 3,3',5-triiodo-L-thyronine (T3), and its known hormonally active derivatives, gives liver-selective, cardiac-sparing thyromimetics, with potential utility as plasma cholesterol lowering agents. Selectivity-conferring 3'-substituents include substituted benzyl, e.g. p-hydroxybenzyl, and heter... aid3229.table aid3229.tbin
3230 1 Title: Selective thyromimetics. Cardiac-sparing thyroid hormone analogues containing 3'-arylmethyl substituents. Abstract: Introduction of specific arylmethyl groups at the 3'-position of the thyroid hormone 3,3',5-triiodo-L-thyronine (T3), and its known hormonally active derivatives, gives liver-selective, cardiac-sparing thyromimetics, with potential utility as plasma cholesterol lowering agents. Selectivity-conferring 3'-substituents include substituted benzyl, e.g. p-hydroxybenzyl, and heter... aid3230.table aid3230.tbin
3231 1 Title: Selective thyromimetics. Cardiac-sparing thyroid hormone analogues containing 3'-arylmethyl substituents. Abstract: Introduction of specific arylmethyl groups at the 3'-position of the thyroid hormone 3,3',5-triiodo-L-thyronine (T3), and its known hormonally active derivatives, gives liver-selective, cardiac-sparing thyromimetics, with potential utility as plasma cholesterol lowering agents. Selectivity-conferring 3'-substituents include substituted benzyl, e.g. p-hydroxybenzyl, and heter... aid3231.table aid3231.tbin
3232 1 Title: Selective thyromimetics. Cardiac-sparing thyroid hormone analogues containing 3'-arylmethyl substituents. Abstract: Introduction of specific arylmethyl groups at the 3'-position of the thyroid hormone 3,3',5-triiodo-L-thyronine (T3), and its known hormonally active derivatives, gives liver-selective, cardiac-sparing thyromimetics, with potential utility as plasma cholesterol lowering agents. Selectivity-conferring 3'-substituents include substituted benzyl, e.g. p-hydroxybenzyl, and heter... aid3232.table aid3232.tbin
3233 4 Title: Selective thyromimetics. Cardiac-sparing thyroid hormone analogues containing 3'-arylmethyl substituents. Abstract: Introduction of specific arylmethyl groups at the 3'-position of the thyroid hormone 3,3',5-triiodo-L-thyronine (T3), and its known hormonally active derivatives, gives liver-selective, cardiac-sparing thyromimetics, with potential utility as plasma cholesterol lowering agents. Selectivity-conferring 3'-substituents include substituted benzyl, e.g. p-hydroxybenzyl, and heter... aid3233.table aid3233.tbin
3234 5 Title: Selective thyromimetics. Cardiac-sparing thyroid hormone analogues containing 3'-arylmethyl substituents. Abstract: Introduction of specific arylmethyl groups at the 3'-position of the thyroid hormone 3,3',5-triiodo-L-thyronine (T3), and its known hormonally active derivatives, gives liver-selective, cardiac-sparing thyromimetics, with potential utility as plasma cholesterol lowering agents. Selectivity-conferring 3'-substituents include substituted benzyl, e.g. p-hydroxybenzyl, and heter... aid3234.table aid3234.tbin
3235 1 Title: Selective thyromimetics. Cardiac-sparing thyroid hormone analogues containing 3'-arylmethyl substituents. Abstract: Introduction of specific arylmethyl groups at the 3'-position of the thyroid hormone 3,3',5-triiodo-L-thyronine (T3), and its known hormonally active derivatives, gives liver-selective, cardiac-sparing thyromimetics, with potential utility as plasma cholesterol lowering agents. Selectivity-conferring 3'-substituents include substituted benzyl, e.g. p-hydroxybenzyl, and heter... aid3235.table aid3235.tbin
3236 28 Title: Selective thyromimetics. Cardiac-sparing thyroid hormone analogues containing 3'-arylmethyl substituents. Abstract: Introduction of specific arylmethyl groups at the 3'-position of the thyroid hormone 3,3',5-triiodo-L-thyronine (T3), and its known hormonally active derivatives, gives liver-selective, cardiac-sparing thyromimetics, with potential utility as plasma cholesterol lowering agents. Selectivity-conferring 3'-substituents include substituted benzyl, e.g. p-hydroxybenzyl, and heter... aid3236.table aid3236.tbin
3237 4 Title: Selective thyromimetics. Cardiac-sparing thyroid hormone analogues containing 3'-arylmethyl substituents. Abstract: Introduction of specific arylmethyl groups at the 3'-position of the thyroid hormone 3,3',5-triiodo-L-thyronine (T3), and its known hormonally active derivatives, gives liver-selective, cardiac-sparing thyromimetics, with potential utility as plasma cholesterol lowering agents. Selectivity-conferring 3'-substituents include substituted benzyl, e.g. p-hydroxybenzyl, and heter... aid3237.table aid3237.tbin
3238 17 Title: Selective thyromimetics. Cardiac-sparing thyroid hormone analogues containing 3'-arylmethyl substituents. Abstract: Introduction of specific arylmethyl groups at the 3'-position of the thyroid hormone 3,3',5-triiodo-L-thyronine (T3), and its known hormonally active derivatives, gives liver-selective, cardiac-sparing thyromimetics, with potential utility as plasma cholesterol lowering agents. Selectivity-conferring 3'-substituents include substituted benzyl, e.g. p-hydroxybenzyl, and heter... aid3238.table aid3238.tbin
3239 2 Title: Selective thyromimetics. Cardiac-sparing thyroid hormone analogues containing 3'-arylmethyl substituents. Abstract: Introduction of specific arylmethyl groups at the 3'-position of the thyroid hormone 3,3',5-triiodo-L-thyronine (T3), and its known hormonally active derivatives, gives liver-selective, cardiac-sparing thyromimetics, with potential utility as plasma cholesterol lowering agents. Selectivity-conferring 3'-substituents include substituted benzyl, e.g. p-hydroxybenzyl, and heter... aid3239.table aid3239.tbin
3240 1 Title: Selective thyromimetics. Cardiac-sparing thyroid hormone analogues containing 3'-arylmethyl substituents. Abstract: Introduction of specific arylmethyl groups at the 3'-position of the thyroid hormone 3,3',5-triiodo-L-thyronine (T3), and its known hormonally active derivatives, gives liver-selective, cardiac-sparing thyromimetics, with potential utility as plasma cholesterol lowering agents. Selectivity-conferring 3'-substituents include substituted benzyl, e.g. p-hydroxybenzyl, and heter... aid3240.table aid3240.tbin
3241 5 Title: Selective thyromimetics. Cardiac-sparing thyroid hormone analogues containing 3'-arylmethyl substituents. Abstract: Introduction of specific arylmethyl groups at the 3'-position of the thyroid hormone 3,3',5-triiodo-L-thyronine (T3), and its known hormonally active derivatives, gives liver-selective, cardiac-sparing thyromimetics, with potential utility as plasma cholesterol lowering agents. Selectivity-conferring 3'-substituents include substituted benzyl, e.g. p-hydroxybenzyl, and heter... aid3241.table aid3241.tbin
3242 13 Title: Selective thyromimetics. Cardiac-sparing thyroid hormone analogues containing 3'-arylmethyl substituents. Abstract: Introduction of specific arylmethyl groups at the 3'-position of the thyroid hormone 3,3',5-triiodo-L-thyronine (T3), and its known hormonally active derivatives, gives liver-selective, cardiac-sparing thyromimetics, with potential utility as plasma cholesterol lowering agents. Selectivity-conferring 3'-substituents include substituted benzyl, e.g. p-hydroxybenzyl, and heter... aid3242.table aid3242.tbin
3243 1 Title: Selective thyromimetics. Cardiac-sparing thyroid hormone analogues containing 3'-arylmethyl substituents. Abstract: Introduction of specific arylmethyl groups at the 3'-position of the thyroid hormone 3,3',5-triiodo-L-thyronine (T3), and its known hormonally active derivatives, gives liver-selective, cardiac-sparing thyromimetics, with potential utility as plasma cholesterol lowering agents. Selectivity-conferring 3'-substituents include substituted benzyl, e.g. p-hydroxybenzyl, and heter... aid3243.table aid3243.tbin
3244 1 Title: Selective thyromimetics. Cardiac-sparing thyroid hormone analogues containing 3'-arylmethyl substituents. Abstract: Introduction of specific arylmethyl groups at the 3'-position of the thyroid hormone 3,3',5-triiodo-L-thyronine (T3), and its known hormonally active derivatives, gives liver-selective, cardiac-sparing thyromimetics, with potential utility as plasma cholesterol lowering agents. Selectivity-conferring 3'-substituents include substituted benzyl, e.g. p-hydroxybenzyl, and heter... aid3244.table aid3244.tbin
3245 13 Title: Selective thyromimetics. Cardiac-sparing thyroid hormone analogues containing 3'-arylmethyl substituents. Abstract: Introduction of specific arylmethyl groups at the 3'-position of the thyroid hormone 3,3',5-triiodo-L-thyronine (T3), and its known hormonally active derivatives, gives liver-selective, cardiac-sparing thyromimetics, with potential utility as plasma cholesterol lowering agents. Selectivity-conferring 3'-substituents include substituted benzyl, e.g. p-hydroxybenzyl, and heter... aid3245.table aid3245.tbin
3246 7 Title: Selective thyromimetics. Cardiac-sparing thyroid hormone analogues containing 3'-arylmethyl substituents. Abstract: Introduction of specific arylmethyl groups at the 3'-position of the thyroid hormone 3,3',5-triiodo-L-thyronine (T3), and its known hormonally active derivatives, gives liver-selective, cardiac-sparing thyromimetics, with potential utility as plasma cholesterol lowering agents. Selectivity-conferring 3'-substituents include substituted benzyl, e.g. p-hydroxybenzyl, and heter... aid3246.table aid3246.tbin
3247 1 Title: Selective thyromimetics. Cardiac-sparing thyroid hormone analogues containing 3'-arylmethyl substituents. Abstract: Introduction of specific arylmethyl groups at the 3'-position of the thyroid hormone 3,3',5-triiodo-L-thyronine (T3), and its known hormonally active derivatives, gives liver-selective, cardiac-sparing thyromimetics, with potential utility as plasma cholesterol lowering agents. Selectivity-conferring 3'-substituents include substituted benzyl, e.g. p-hydroxybenzyl, and heter... aid3247.table aid3247.tbin
3248 15 Title: Synthesis and biological activity of phenoxyphenyl oxamic acid derivatives related to L-thyronine. Abstract: The synthesis of substituted phenoxyphenyl oxamic acid derivatives related to L-thyronine (L-T3) is described. The in vitro and in vivo cholesterol lowering and cardiovascular effects of these compounds are presented and discussed. aid3248.table aid3248.tbin
3249 5 Title: Aromatic inhibitors of dehydroquinate synthase: synthesis, evaluation and implications for gallic acid biosynthesis. Abstract: The role of the active site metal in determining binding to 3-dehydroquinate synthase has been examined. Protocatechuic acid, catechol, and derivatives of these aromatics were synthesized that shared the common element of an ortho dihydroxylated benzene ring. Inhibition constants were determined for each aromatic as well as the variation of this inhibition as a fu... aid3249.table aid3249.tbin
3250 5 Title: Aromatic inhibitors of dehydroquinate synthase: synthesis, evaluation and implications for gallic acid biosynthesis. Abstract: The role of the active site metal in determining binding to 3-dehydroquinate synthase has been examined. Protocatechuic acid, catechol, and derivatives of these aromatics were synthesized that shared the common element of an ortho dihydroxylated benzene ring. Inhibition constants were determined for each aromatic as well as the variation of this inhibition as a fu... aid3250.table aid3250.tbin
3251 1 Title: Aromatic inhibitors of dehydroquinate synthase: synthesis, evaluation and implications for gallic acid biosynthesis. Abstract: The role of the active site metal in determining binding to 3-dehydroquinate synthase has been examined. Protocatechuic acid, catechol, and derivatives of these aromatics were synthesized that shared the common element of an ortho dihydroxylated benzene ring. Inhibition constants were determined for each aromatic as well as the variation of this inhibition as a fu... aid3251.table aid3251.tbin
3252 1 Title: Aromatic inhibitors of dehydroquinate synthase: synthesis, evaluation and implications for gallic acid biosynthesis. Abstract: The role of the active site metal in determining binding to 3-dehydroquinate synthase has been examined. Protocatechuic acid, catechol, and derivatives of these aromatics were synthesized that shared the common element of an ortho dihydroxylated benzene ring. Inhibition constants were determined for each aromatic as well as the variation of this inhibition as a fu... aid3252.table aid3252.tbin
3253 3 Type of inhibition of 3-dehydroquinate synthase was determined; R - Slowly reversible aid3253.table aid3253.tbin
3254 1 Title: New analgesic drugs derived from phencyclidine. Abstract: Several esters of 1-(1-phenylcyclohexyl)-4-piperidinol (3), 1-(1-phenylcyclohexyl)-4-phenyl-4-piperidinol (10) and its propionate (11), and 1-(1-phenylcyclohexyl)-4-phenylpiperidine (13) were prepared and characterized. The new compounds, which are derived from phencyclidine, exerted analgesic activity in mice. The most potent is 10, which is twice as active as morphine. The antinociceptive activity of 10, 11, and 13 could be well ... aid3254.table aid3254.tbin
3255 3 Inhibition constant against 3-dehydroquinate synthase aid3255.table aid3255.tbin
3256 3 Association rate constant against 3-dehydroquinate synthase aid3256.table aid3256.tbin
3257 3 Rate constant against 3-dehydroquinate synthase aid3257.table aid3257.tbin
3258 2 Title: Octa- and nonaprenylhydroquinone sulfates, inhibitors of alpha1,3-fucosyltransferase VII, from an Australian marine sponge Sarcotragus sp. Abstract: Alpha1,3-fucosyltransferase (Fuc TVII) is a key enzyme in the biosynthesis of selectin ligands. We have isolated two inhibitors of Fuc TVII from a marine sponge Sarcotragus sp. They were characterized as octa- and nonaprenylhydroquinone sulfates on the basis of spectral data. These compounds inhibited Fuc-TVII with IC50 values of 3.9 and 2.4 ... aid3258.table aid3258.tbin
3259 1 Title: Synthesis and biological evaluation of a monocyclic, fully functional analogue of compactin. Abstract: Compound 8, a monocyclic analogue of compactin, has been prepared and its efficacy as an inhibitor of 3-hydroxy-3-methylglutarylcoenzyme A reductase (HMGR) evaluated. The synthesis (Schemes I and II) requires seven steps starting with di-(-)-menthyl fumarate and employs the useful RR-phosphonate reagent 14 to attach the mevinic acid side chain to aldehyde 13. A molecular mechanics study ... aid3259.table aid3259.tbin
3260 1 Title: Synthesis and biological evaluation of a monocyclic, fully functional analogue of compactin. Abstract: Compound 8, a monocyclic analogue of compactin, has been prepared and its efficacy as an inhibitor of 3-hydroxy-3-methylglutarylcoenzyme A reductase (HMGR) evaluated. The synthesis (Schemes I and II) requires seven steps starting with di-(-)-menthyl fumarate and employs the useful RR-phosphonate reagent 14 to attach the mevinic acid side chain to aldehyde 13. A molecular mechanics study ... aid3260.table aid3260.tbin
3261 1 Title: Synthesis and biological evaluation of a monocyclic, fully functional analogue of compactin. Abstract: Compound 8, a monocyclic analogue of compactin, has been prepared and its efficacy as an inhibitor of 3-hydroxy-3-methylglutarylcoenzyme A reductase (HMGR) evaluated. The synthesis (Schemes I and II) requires seven steps starting with di-(-)-menthyl fumarate and employs the useful RR-phosphonate reagent 14 to attach the mevinic acid side chain to aldehyde 13. A molecular mechanics study ... aid3261.table aid3261.tbin
3262 1 Title: Synthesis and biological evaluation of a monocyclic, fully functional analogue of compactin. Abstract: Compound 8, a monocyclic analogue of compactin, has been prepared and its efficacy as an inhibitor of 3-hydroxy-3-methylglutarylcoenzyme A reductase (HMGR) evaluated. The synthesis (Schemes I and II) requires seven steps starting with di-(-)-menthyl fumarate and employs the useful RR-phosphonate reagent 14 to attach the mevinic acid side chain to aldehyde 13. A molecular mechanics study ... aid3262.table aid3262.tbin
3263 1 Title: Synthesis and biological evaluation of a monocyclic, fully functional analogue of compactin. Abstract: Compound 8, a monocyclic analogue of compactin, has been prepared and its efficacy as an inhibitor of 3-hydroxy-3-methylglutarylcoenzyme A reductase (HMGR) evaluated. The synthesis (Schemes I and II) requires seven steps starting with di-(-)-menthyl fumarate and employs the useful RR-phosphonate reagent 14 to attach the mevinic acid side chain to aldehyde 13. A molecular mechanics study ... aid3263.table aid3263.tbin
3264 7 Title: Synthesis and biological evaluation of a monocyclic, fully functional analogue of compactin. Abstract: Compound 8, a monocyclic analogue of compactin, has been prepared and its efficacy as an inhibitor of 3-hydroxy-3-methylglutarylcoenzyme A reductase (HMGR) evaluated. The synthesis (Schemes I and II) requires seven steps starting with di-(-)-menthyl fumarate and employs the useful RR-phosphonate reagent 14 to attach the mevinic acid side chain to aldehyde 13. A molecular mechanics study ... aid3264.table aid3264.tbin
3265 1 Title: Synthesis and biological evaluation of a monocyclic, fully functional analogue of compactin. Abstract: Compound 8, a monocyclic analogue of compactin, has been prepared and its efficacy as an inhibitor of 3-hydroxy-3-methylglutarylcoenzyme A reductase (HMGR) evaluated. The synthesis (Schemes I and II) requires seven steps starting with di-(-)-menthyl fumarate and employs the useful RR-phosphonate reagent 14 to attach the mevinic acid side chain to aldehyde 13. A molecular mechanics study ... aid3265.table aid3265.tbin
3266 1 Title: Synthesis and biological evaluation of a monocyclic, fully functional analogue of compactin. Abstract: Compound 8, a monocyclic analogue of compactin, has been prepared and its efficacy as an inhibitor of 3-hydroxy-3-methylglutarylcoenzyme A reductase (HMGR) evaluated. The synthesis (Schemes I and II) requires seven steps starting with di-(-)-menthyl fumarate and employs the useful RR-phosphonate reagent 14 to attach the mevinic acid side chain to aldehyde 13. A molecular mechanics study ... aid3266.table aid3266.tbin
3267 1 Title: Synthesis and biological evaluation of a monocyclic, fully functional analogue of compactin. Abstract: Compound 8, a monocyclic analogue of compactin, has been prepared and its efficacy as an inhibitor of 3-hydroxy-3-methylglutarylcoenzyme A reductase (HMGR) evaluated. The synthesis (Schemes I and II) requires seven steps starting with di-(-)-menthyl fumarate and employs the useful RR-phosphonate reagent 14 to attach the mevinic acid side chain to aldehyde 13. A molecular mechanics study ... aid3267.table aid3267.tbin
3268 1 Title: Synthesis and biological evaluation of a monocyclic, fully functional analogue of compactin. Abstract: Compound 8, a monocyclic analogue of compactin, has been prepared and its efficacy as an inhibitor of 3-hydroxy-3-methylglutarylcoenzyme A reductase (HMGR) evaluated. The synthesis (Schemes I and II) requires seven steps starting with di-(-)-menthyl fumarate and employs the useful RR-phosphonate reagent 14 to attach the mevinic acid side chain to aldehyde 13. A molecular mechanics study ... aid3268.table aid3268.tbin
3269 1 Title: Synthesis and biological evaluation of a monocyclic, fully functional analogue of compactin. Abstract: Compound 8, a monocyclic analogue of compactin, has been prepared and its efficacy as an inhibitor of 3-hydroxy-3-methylglutarylcoenzyme A reductase (HMGR) evaluated. The synthesis (Schemes I and II) requires seven steps starting with di-(-)-menthyl fumarate and employs the useful RR-phosphonate reagent 14 to attach the mevinic acid side chain to aldehyde 13. A molecular mechanics study ... aid3269.table aid3269.tbin
3270 37 Title: Novel bisphosphonate inhibitors of phosphoglycerate kinase. Abstract: A series of novel, conformationally-restrained bisphosphonate analogues of 1,3-bisphosphoglyceric acid 1 have been synthesised and evaluated as inhibitors of 3-PGK. They are competitive inhibitors of the human enzyme and, especially for certain alpha-halophosphonic acid analogues, both Ki and IC50 values extend into the submicromolar range. aid3270.table aid3270.tbin
3271 8 Title: Novel bisphosphonate inhibitors of phosphoglycerate kinase. Abstract: A series of novel, conformationally-restrained bisphosphonate analogues of 1,3-bisphosphoglyceric acid 1 have been synthesised and evaluated as inhibitors of 3-PGK. They are competitive inhibitors of the human enzyme and, especially for certain alpha-halophosphonic acid analogues, both Ki and IC50 values extend into the submicromolar range. aid3271.table aid3271.tbin
3272 8 Title: Novel bisphosphonate inhibitors of phosphoglycerate kinase. Abstract: A series of novel, conformationally-restrained bisphosphonate analogues of 1,3-bisphosphoglyceric acid 1 have been synthesised and evaluated as inhibitors of 3-PGK. They are competitive inhibitors of the human enzyme and, especially for certain alpha-halophosphonic acid analogues, both Ki and IC50 values extend into the submicromolar range. aid3272.table aid3272.tbin
3273 2 Title: Synthesis and discovery of macrocyclic polyoxygenated bis-7-azaindolylmaleimides as a novel series of potent and highly selective glycogen synthase kinase-3beta inhibitors. Abstract: Attempts to design the macrocyclic maleimides as selective protein kinase C gamma inhibitors led to the unexpected discovery of a novel series of potent and highly selective glycogen synthase kinase-3beta (GSK-3beta) inhibitors. Palladium-catalyzed cross-coupling reactions were used to synthesize the key inte... aid3273.table aid3273.tbin
3274 2 Title: Cephalosporin prodrugs of paclitaxel for immunologically specific activation by L-49-sFv-beta-lactamase fusion protein. Abstract: Paclitaxel conjugates of 7-phenylacetamidocephalosporanic acid were prepared as prodrugs for site specific activation by targeted beta-lactamase. Immunologically specific activation of the prodrug 5 containing 3,3-dimethyl-4-amino-butyric acid as linker in combination with the fusion protein L-49-sFv-beta-lactamase was demonstrated in vitro on 3677 melanoma cel... aid3274.table aid3274.tbin
3275 1 Title: Cephalosporin prodrugs of paclitaxel for immunologically specific activation by L-49-sFv-beta-lactamase fusion protein. Abstract: Paclitaxel conjugates of 7-phenylacetamidocephalosporanic acid were prepared as prodrugs for site specific activation by targeted beta-lactamase. Immunologically specific activation of the prodrug 5 containing 3,3-dimethyl-4-amino-butyric acid as linker in combination with the fusion protein L-49-sFv-beta-lactamase was demonstrated in vitro on 3677 melanoma cel... aid3275.table aid3275.tbin
3276 3 Title: Tryptophanyl phosphoramidates as prodrugs of synadenol and its E-isomer: synthesis and biological activity. Abstract: Phosphorotryptophanates 2c and 3c were synthesized and investigated as prodrugs of synadenol (2a) and its E-isomer 3a. The antiviral activity of 2c corresponds to parent analogue 2a but it is lower than that of phenylphosphoralaninate 2b. This may indicate an enzymatic cleavage of phosphorotryptophanate 2c to 2a before or after entering the host cells. The E-isomer 3c was ... aid3276.table aid3276.tbin
3277 1 Title: Synthesis and evaluation of artificial taxoids with antitumor and multi-drug resistance reversing activities. Abstract: Artificial taxoids were synthesized and subjected to evaluation of their ability of multi-drug resistance reversing and antitumor activities. While the taxoid 4 could not increase cellular accumulation of vincristine in multi-drug resistant tumor cells, the C4-hydroxy analog 15 showed significant effect. However, these compounds showed weak activities on growth inhibitio... aid3277.table aid3277.tbin
3278 1 Title: Synthesis and biological effects of novel thiocolchicines. 3. Evaluation of N-acyldeacetylthiocolchicines, N-(alkoxycarbonyl) deacetylthiocolchicines, and O-ethyldemethylthiocolchicines. New synthesis of thiodemecolcine and antileukemic effects of 2-demethyl- and 3-demethylthiocolchicine. Abstract: Novel and known analogues of thiocolchicine were evaluated in vitro in a tubulin binding assay and in vivo in mice for acute toxicity and in the P388 lymphocytic leukemia assay. This evaluation... aid3278.table aid3278.tbin
3279 2 Title: Synthesis and biological effects of novel thiocolchicines. 3. Evaluation of N-acyldeacetylthiocolchicines, N-(alkoxycarbonyl) deacetylthiocolchicines, and O-ethyldemethylthiocolchicines. New synthesis of thiodemecolcine and antileukemic effects of 2-demethyl- and 3-demethylthiocolchicine. Abstract: Novel and known analogues of thiocolchicine were evaluated in vitro in a tubulin binding assay and in vivo in mice for acute toxicity and in the P388 lymphocytic leukemia assay. This evaluation... aid3279.table aid3279.tbin
3280 12 Title: Structure-based design of irreversible, tripeptidyl human rhinovirus 3C protease inhibitors containing N-methyl amino acids. Abstract: Tripeptide-derived molecules incorporating N-methyl amino acid residues and C-terminal Michael acceptor moieties were evaluated as irreversible inhibitors of the cysteine-containing human rhinovirus 3C protease (3CP). Such compounds displayed good 3CP inhibition activity (k(obs)/[I] up to 610,000 M(-1) s(-1)) and potent in vitro antiviral properties (EC50 ... aid3280.table aid3280.tbin
3281 1 Title: Structure-based design of irreversible, tripeptidyl human rhinovirus 3C protease inhibitors containing N-methyl amino acids. Abstract: Tripeptide-derived molecules incorporating N-methyl amino acid residues and C-terminal Michael acceptor moieties were evaluated as irreversible inhibitors of the cysteine-containing human rhinovirus 3C protease (3CP). Such compounds displayed good 3CP inhibition activity (k(obs)/[I] up to 610,000 M(-1) s(-1)) and potent in vitro antiviral properties (EC50 ... aid3281.table aid3281.tbin
3282 5 Title: S-nitrosothiols as novel, reversible inhibitors of human rhinovirus 3C protease. Abstract: Human rhinovirus (HRV) 3C protease was inactivated by a series of S-nitrosothiols. These compounds exhibited different inhibitory activities in a time- and concentration-dependent manner with second-order rate constants (kinact/K(I)) ranging from 131 to 5360 M(-1) min(-1). The inactive enzyme could be re-activated by DTT, GSH and ascorbate, which indicated the inactivation mechanism was through an S... aid3282.table aid3282.tbin
3283 5 Title: S-nitrosothiols as novel, reversible inhibitors of human rhinovirus 3C protease. Abstract: Human rhinovirus (HRV) 3C protease was inactivated by a series of S-nitrosothiols. These compounds exhibited different inhibitory activities in a time- and concentration-dependent manner with second-order rate constants (kinact/K(I)) ranging from 131 to 5360 M(-1) min(-1). The inactive enzyme could be re-activated by DTT, GSH and ascorbate, which indicated the inactivation mechanism was through an S... aid3283.table aid3283.tbin
3284 1 Title: Synthesis and evaluation of tripeptidyl alpha-ketoamides as human rhinovirus 3C protease inhibitors. Abstract: We describe herein the synthesis and biological evaluation of a series of tripeptidyl alpha-ketoamides as human rhinovirus (HRV) 3C protease inhibitors. The most potent inhibitor discussed in this manuscript, 4I, exhibited impressive enzyme inhibitory activity as well as antiviral activity against HRV-14. aid3284.table aid3284.tbin
3285 1 Title: Synthesis and evaluation of tripeptidyl alpha-ketoamides as human rhinovirus 3C protease inhibitors. Abstract: We describe herein the synthesis and biological evaluation of a series of tripeptidyl alpha-ketoamides as human rhinovirus (HRV) 3C protease inhibitors. The most potent inhibitor discussed in this manuscript, 4I, exhibited impressive enzyme inhibitory activity as well as antiviral activity against HRV-14. aid3285.table aid3285.tbin
3286 15 Title: Synthesis and evaluation of tripeptidyl alpha-ketoamides as human rhinovirus 3C protease inhibitors. Abstract: We describe herein the synthesis and biological evaluation of a series of tripeptidyl alpha-ketoamides as human rhinovirus (HRV) 3C protease inhibitors. The most potent inhibitor discussed in this manuscript, 4I, exhibited impressive enzyme inhibitory activity as well as antiviral activity against HRV-14. aid3286.table aid3286.tbin
3287 1 Title: Synthesis and evaluation of tripeptidyl alpha-ketoamides as human rhinovirus 3C protease inhibitors. Abstract: We describe herein the synthesis and biological evaluation of a series of tripeptidyl alpha-ketoamides as human rhinovirus (HRV) 3C protease inhibitors. The most potent inhibitor discussed in this manuscript, 4I, exhibited impressive enzyme inhibitory activity as well as antiviral activity against HRV-14. aid3287.table aid3287.tbin
3288 3 Title: Design, synthesis, and evaluation of nonpeptidic inhibitors of human rhinovirus 3C protease. Abstract: The design, synthesis, and biological evaluation of reversible, nonpeptidic inhibitors of human rhinovirus (HRV) 3C protease (3CP) are reported. A novel series of 2,3-dioxindoles (isatins) were designed that utilized a combination of protein structure-based drug design, molecular modeling, and structure-activity relationship (SAR). The C-2 carbonyl of isatin was envisioned to react in th... aid3288.table aid3288.tbin
3289 2 Title: Design, synthesis, and evaluation of nonpeptidic inhibitors of human rhinovirus 3C protease. Abstract: The design, synthesis, and biological evaluation of reversible, nonpeptidic inhibitors of human rhinovirus (HRV) 3C protease (3CP) are reported. A novel series of 2,3-dioxindoles (isatins) were designed that utilized a combination of protein structure-based drug design, molecular modeling, and structure-activity relationship (SAR). The C-2 carbonyl of isatin was envisioned to react in th... aid3289.table aid3289.tbin
3290 2 Title: Design, synthesis, and evaluation of nonpeptidic inhibitors of human rhinovirus 3C protease. Abstract: The design, synthesis, and biological evaluation of reversible, nonpeptidic inhibitors of human rhinovirus (HRV) 3C protease (3CP) are reported. A novel series of 2,3-dioxindoles (isatins) were designed that utilized a combination of protein structure-based drug design, molecular modeling, and structure-activity relationship (SAR). The C-2 carbonyl of isatin was envisioned to react in th... aid3290.table aid3290.tbin
3291 2 Title: Design, synthesis, and evaluation of nonpeptidic inhibitors of human rhinovirus 3C protease. Abstract: The design, synthesis, and biological evaluation of reversible, nonpeptidic inhibitors of human rhinovirus (HRV) 3C protease (3CP) are reported. A novel series of 2,3-dioxindoles (isatins) were designed that utilized a combination of protein structure-based drug design, molecular modeling, and structure-activity relationship (SAR). The C-2 carbonyl of isatin was envisioned to react in th... aid3291.table aid3291.tbin
3292 24 Title: Design, synthesis, and evaluation of nonpeptidic inhibitors of human rhinovirus 3C protease. Abstract: The design, synthesis, and biological evaluation of reversible, nonpeptidic inhibitors of human rhinovirus (HRV) 3C protease (3CP) are reported. A novel series of 2,3-dioxindoles (isatins) were designed that utilized a combination of protein structure-based drug design, molecular modeling, and structure-activity relationship (SAR). The C-2 carbonyl of isatin was envisioned to react in th... aid3292.table aid3292.tbin
3293 1 Title: Sabadinine: a potential non-peptide anti-severe acute-respiratory-syndrome agent identified using structure-aided design. Abstract: A novel human coronavirus has been reported to be the causative agent of severe acute respiratory syndrome (SARS). Since replication of HcoVs depends on extensive proteolytic processing, the main proteinase, 3CLpro, is an attractive drug target for anti-SARS agents. We have employed molecular docking of a chemical database into the active site of 3CLpro to se... aid3293.table aid3293.tbin
3294 1 Title: Synthesis of nitrosourea derivatives of pyridine and piperidine as potential anticancer agents. Abstract: Nitrosourea derivatives 18-22 which utilize either a piperidine or pyridine ring as a carrier group were synthesized and evaluated for anticancer activity. N'-(1-Benzyl-4-piperidinyl)-N-(2-chloroethyl)-N-nitosourea hydrogen maleate (19) exhibited good activity against intracranial L1210 leukemia as well as the mouse ependymoblastoma brain tumor system. Compound 19 exhibited comparable... aid3294.table aid3294.tbin
3295 1 Title: Synthesis of nitrosourea derivatives of pyridine and piperidine as potential anticancer agents. Abstract: Nitrosourea derivatives 18-22 which utilize either a piperidine or pyridine ring as a carrier group were synthesized and evaluated for anticancer activity. N'-(1-Benzyl-4-piperidinyl)-N-(2-chloroethyl)-N-nitosourea hydrogen maleate (19) exhibited good activity against intracranial L1210 leukemia as well as the mouse ependymoblastoma brain tumor system. Compound 19 exhibited comparable... aid3295.table aid3295.tbin
3296 1 Title: Synthesis of nitrosourea derivatives of pyridine and piperidine as potential anticancer agents. Abstract: Nitrosourea derivatives 18-22 which utilize either a piperidine or pyridine ring as a carrier group were synthesized and evaluated for anticancer activity. N'-(1-Benzyl-4-piperidinyl)-N-(2-chloroethyl)-N-nitosourea hydrogen maleate (19) exhibited good activity against intracranial L1210 leukemia as well as the mouse ependymoblastoma brain tumor system. Compound 19 exhibited comparable... aid3296.table aid3296.tbin
3297 2 Title: Synthesis of nitrosourea derivatives of pyridine and piperidine as potential anticancer agents. Abstract: Nitrosourea derivatives 18-22 which utilize either a piperidine or pyridine ring as a carrier group were synthesized and evaluated for anticancer activity. N'-(1-Benzyl-4-piperidinyl)-N-(2-chloroethyl)-N-nitosourea hydrogen maleate (19) exhibited good activity against intracranial L1210 leukemia as well as the mouse ependymoblastoma brain tumor system. Compound 19 exhibited comparable... aid3297.table aid3297.tbin
3298 3 Title: Synthesis of nitrosourea derivatives of pyridine and piperidine as potential anticancer agents. Abstract: Nitrosourea derivatives 18-22 which utilize either a piperidine or pyridine ring as a carrier group were synthesized and evaluated for anticancer activity. N'-(1-Benzyl-4-piperidinyl)-N-(2-chloroethyl)-N-nitosourea hydrogen maleate (19) exhibited good activity against intracranial L1210 leukemia as well as the mouse ependymoblastoma brain tumor system. Compound 19 exhibited comparable... aid3298.table aid3298.tbin
3299 3 Title: Synthesis of nitrosourea derivatives of pyridine and piperidine as potential anticancer agents. Abstract: Nitrosourea derivatives 18-22 which utilize either a piperidine or pyridine ring as a carrier group were synthesized and evaluated for anticancer activity. N'-(1-Benzyl-4-piperidinyl)-N-(2-chloroethyl)-N-nitosourea hydrogen maleate (19) exhibited good activity against intracranial L1210 leukemia as well as the mouse ependymoblastoma brain tumor system. Compound 19 exhibited comparable... aid3299.table aid3299.tbin
3300 5 Title: Synthesis and anti-angiogenic activity of 6-(1,2,4-thiadiazol-5-yl)-3-amino pyridazine derivatives. Abstract: General screening for inhibitors of microvessel growth in vitro in the rat aortic ring assay led to the discovery of a novel series of thiadiazole pyridazine compounds with potential anti-angiogenic activity. Chemical optimization produced orally active compounds with potent in vitro and in vivo anti-angiogenesis and anti-tumor activities. aid3300.table aid3300.tbin
3301 1 Title: Synthesis and anti-angiogenic activity of 6-(1,2,4-thiadiazol-5-yl)-3-amino pyridazine derivatives. Abstract: General screening for inhibitors of microvessel growth in vitro in the rat aortic ring assay led to the discovery of a novel series of thiadiazole pyridazine compounds with potential anti-angiogenic activity. Chemical optimization produced orally active compounds with potent in vitro and in vivo anti-angiogenesis and anti-tumor activities. aid3301.table aid3301.tbin
3302 20 Title: Synthesis and anti-angiogenic activity of 6-(1,2,4-thiadiazol-5-yl)-3-amino pyridazine derivatives. Abstract: General screening for inhibitors of microvessel growth in vitro in the rat aortic ring assay led to the discovery of a novel series of thiadiazole pyridazine compounds with potential anti-angiogenic activity. Chemical optimization produced orally active compounds with potent in vitro and in vivo anti-angiogenesis and anti-tumor activities. aid3302.table aid3302.tbin
3303 1 Title: N-Benzylpolyamines as vectors of boron and fluorine for cancer therapy and imaging: synthesis and biological evaluation. Abstract: Cancer cells have high-affinity polyamine uptake systems with a low stringency for structural features. Putrescine, spermidine, and spermine have, therefore, been considered as potential vectors for the selective accumulation in tumors of therapeutically or diagnostically useful structures and elements. We envisaged N-benzyl derivatives of the polyamines as ve... aid3303.table aid3303.tbin
3304 3 Title: N-Benzylpolyamines as vectors of boron and fluorine for cancer therapy and imaging: synthesis and biological evaluation. Abstract: Cancer cells have high-affinity polyamine uptake systems with a low stringency for structural features. Putrescine, spermidine, and spermine have, therefore, been considered as potential vectors for the selective accumulation in tumors of therapeutically or diagnostically useful structures and elements. We envisaged N-benzyl derivatives of the polyamines as ve... aid3304.table aid3304.tbin
3305 3 Title: N-Benzylpolyamines as vectors of boron and fluorine for cancer therapy and imaging: synthesis and biological evaluation. Abstract: Cancer cells have high-affinity polyamine uptake systems with a low stringency for structural features. Putrescine, spermidine, and spermine have, therefore, been considered as potential vectors for the selective accumulation in tumors of therapeutically or diagnostically useful structures and elements. We envisaged N-benzyl derivatives of the polyamines as ve... aid3305.table aid3305.tbin
3306 6 Title: N-Benzylpolyamines as vectors of boron and fluorine for cancer therapy and imaging: synthesis and biological evaluation. Abstract: Cancer cells have high-affinity polyamine uptake systems with a low stringency for structural features. Putrescine, spermidine, and spermine have, therefore, been considered as potential vectors for the selective accumulation in tumors of therapeutically or diagnostically useful structures and elements. We envisaged N-benzyl derivatives of the polyamines as ve... aid3306.table aid3306.tbin
3307 3 Title: N-Benzylpolyamines as vectors of boron and fluorine for cancer therapy and imaging: synthesis and biological evaluation. Abstract: Cancer cells have high-affinity polyamine uptake systems with a low stringency for structural features. Putrescine, spermidine, and spermine have, therefore, been considered as potential vectors for the selective accumulation in tumors of therapeutically or diagnostically useful structures and elements. We envisaged N-benzyl derivatives of the polyamines as ve... aid3307.table aid3307.tbin
3308 1 Title: N-Benzylpolyamines as vectors of boron and fluorine for cancer therapy and imaging: synthesis and biological evaluation. Abstract: Cancer cells have high-affinity polyamine uptake systems with a low stringency for structural features. Putrescine, spermidine, and spermine have, therefore, been considered as potential vectors for the selective accumulation in tumors of therapeutically or diagnostically useful structures and elements. We envisaged N-benzyl derivatives of the polyamines as ve... aid3308.table aid3308.tbin
3309 4 Title: N-Benzylpolyamines as vectors of boron and fluorine for cancer therapy and imaging: synthesis and biological evaluation. Abstract: Cancer cells have high-affinity polyamine uptake systems with a low stringency for structural features. Putrescine, spermidine, and spermine have, therefore, been considered as potential vectors for the selective accumulation in tumors of therapeutically or diagnostically useful structures and elements. We envisaged N-benzyl derivatives of the polyamines as ve... aid3309.table aid3309.tbin
3310 3 Title: N-Benzylpolyamines as vectors of boron and fluorine for cancer therapy and imaging: synthesis and biological evaluation. Abstract: Cancer cells have high-affinity polyamine uptake systems with a low stringency for structural features. Putrescine, spermidine, and spermine have, therefore, been considered as potential vectors for the selective accumulation in tumors of therapeutically or diagnostically useful structures and elements. We envisaged N-benzyl derivatives of the polyamines as ve... aid3310.table aid3310.tbin
3311 5 Title: N-Benzylpolyamines as vectors of boron and fluorine for cancer therapy and imaging: synthesis and biological evaluation. Abstract: Cancer cells have high-affinity polyamine uptake systems with a low stringency for structural features. Putrescine, spermidine, and spermine have, therefore, been considered as potential vectors for the selective accumulation in tumors of therapeutically or diagnostically useful structures and elements. We envisaged N-benzyl derivatives of the polyamines as ve... aid3311.table aid3311.tbin
3312 5 Title: N-Benzylpolyamines as vectors of boron and fluorine for cancer therapy and imaging: synthesis and biological evaluation. Abstract: Cancer cells have high-affinity polyamine uptake systems with a low stringency for structural features. Putrescine, spermidine, and spermine have, therefore, been considered as potential vectors for the selective accumulation in tumors of therapeutically or diagnostically useful structures and elements. We envisaged N-benzyl derivatives of the polyamines as ve... aid3312.table aid3312.tbin
3313 8 Title: N-Benzylpolyamines as vectors of boron and fluorine for cancer therapy and imaging: synthesis and biological evaluation. Abstract: Cancer cells have high-affinity polyamine uptake systems with a low stringency for structural features. Putrescine, spermidine, and spermine have, therefore, been considered as potential vectors for the selective accumulation in tumors of therapeutically or diagnostically useful structures and elements. We envisaged N-benzyl derivatives of the polyamines as ve... aid3313.table aid3313.tbin
3314 11 Title: N-Benzylpolyamines as vectors of boron and fluorine for cancer therapy and imaging: synthesis and biological evaluation. Abstract: Cancer cells have high-affinity polyamine uptake systems with a low stringency for structural features. Putrescine, spermidine, and spermine have, therefore, been considered as potential vectors for the selective accumulation in tumors of therapeutically or diagnostically useful structures and elements. We envisaged N-benzyl derivatives of the polyamines as ve... aid3314.table aid3314.tbin
3315 11 Title: N-Benzylpolyamines as vectors of boron and fluorine for cancer therapy and imaging: synthesis and biological evaluation. Abstract: Cancer cells have high-affinity polyamine uptake systems with a low stringency for structural features. Putrescine, spermidine, and spermine have, therefore, been considered as potential vectors for the selective accumulation in tumors of therapeutically or diagnostically useful structures and elements. We envisaged N-benzyl derivatives of the polyamines as ve... aid3315.table aid3315.tbin
3316 1 Title: N-Benzylpolyamines as vectors of boron and fluorine for cancer therapy and imaging: synthesis and biological evaluation. Abstract: Cancer cells have high-affinity polyamine uptake systems with a low stringency for structural features. Putrescine, spermidine, and spermine have, therefore, been considered as potential vectors for the selective accumulation in tumors of therapeutically or diagnostically useful structures and elements. We envisaged N-benzyl derivatives of the polyamines as ve... aid3316.table aid3316.tbin
3317 1 Title: N-Benzylpolyamines as vectors of boron and fluorine for cancer therapy and imaging: synthesis and biological evaluation. Abstract: Cancer cells have high-affinity polyamine uptake systems with a low stringency for structural features. Putrescine, spermidine, and spermine have, therefore, been considered as potential vectors for the selective accumulation in tumors of therapeutically or diagnostically useful structures and elements. We envisaged N-benzyl derivatives of the polyamines as ve... aid3317.table aid3317.tbin
3318 1 Title: N-Benzylpolyamines as vectors of boron and fluorine for cancer therapy and imaging: synthesis and biological evaluation. Abstract: Cancer cells have high-affinity polyamine uptake systems with a low stringency for structural features. Putrescine, spermidine, and spermine have, therefore, been considered as potential vectors for the selective accumulation in tumors of therapeutically or diagnostically useful structures and elements. We envisaged N-benzyl derivatives of the polyamines as ve... aid3318.table aid3318.tbin
3319 2 Title: N-Benzylpolyamines as vectors of boron and fluorine for cancer therapy and imaging: synthesis and biological evaluation. Abstract: Cancer cells have high-affinity polyamine uptake systems with a low stringency for structural features. Putrescine, spermidine, and spermine have, therefore, been considered as potential vectors for the selective accumulation in tumors of therapeutically or diagnostically useful structures and elements. We envisaged N-benzyl derivatives of the polyamines as ve... aid3319.table aid3319.tbin
3320 5 Title: N-Benzylpolyamines as vectors of boron and fluorine for cancer therapy and imaging: synthesis and biological evaluation. Abstract: Cancer cells have high-affinity polyamine uptake systems with a low stringency for structural features. Putrescine, spermidine, and spermine have, therefore, been considered as potential vectors for the selective accumulation in tumors of therapeutically or diagnostically useful structures and elements. We envisaged N-benzyl derivatives of the polyamines as ve... aid3320.table aid3320.tbin
3321 1 Title: N-Benzylpolyamines as vectors of boron and fluorine for cancer therapy and imaging: synthesis and biological evaluation. Abstract: Cancer cells have high-affinity polyamine uptake systems with a low stringency for structural features. Putrescine, spermidine, and spermine have, therefore, been considered as potential vectors for the selective accumulation in tumors of therapeutically or diagnostically useful structures and elements. We envisaged N-benzyl derivatives of the polyamines as ve... aid3321.table aid3321.tbin
3322 1 Title: N-Benzylpolyamines as vectors of boron and fluorine for cancer therapy and imaging: synthesis and biological evaluation. Abstract: Cancer cells have high-affinity polyamine uptake systems with a low stringency for structural features. Putrescine, spermidine, and spermine have, therefore, been considered as potential vectors for the selective accumulation in tumors of therapeutically or diagnostically useful structures and elements. We envisaged N-benzyl derivatives of the polyamines as ve... aid3322.table aid3322.tbin
3323 2 Title: N-Benzylpolyamines as vectors of boron and fluorine for cancer therapy and imaging: synthesis and biological evaluation. Abstract: Cancer cells have high-affinity polyamine uptake systems with a low stringency for structural features. Putrescine, spermidine, and spermine have, therefore, been considered as potential vectors for the selective accumulation in tumors of therapeutically or diagnostically useful structures and elements. We envisaged N-benzyl derivatives of the polyamines as ve... aid3323.table aid3323.tbin
3324 5 Title: N-Benzylpolyamines as vectors of boron and fluorine for cancer therapy and imaging: synthesis and biological evaluation. Abstract: Cancer cells have high-affinity polyamine uptake systems with a low stringency for structural features. Putrescine, spermidine, and spermine have, therefore, been considered as potential vectors for the selective accumulation in tumors of therapeutically or diagnostically useful structures and elements. We envisaged N-benzyl derivatives of the polyamines as ve... aid3324.table aid3324.tbin
3325 1 Title: N-Benzylpolyamines as vectors of boron and fluorine for cancer therapy and imaging: synthesis and biological evaluation. Abstract: Cancer cells have high-affinity polyamine uptake systems with a low stringency for structural features. Putrescine, spermidine, and spermine have, therefore, been considered as potential vectors for the selective accumulation in tumors of therapeutically or diagnostically useful structures and elements. We envisaged N-benzyl derivatives of the polyamines as ve... aid3325.table aid3325.tbin
3326 1 Title: N-Benzylpolyamines as vectors of boron and fluorine for cancer therapy and imaging: synthesis and biological evaluation. Abstract: Cancer cells have high-affinity polyamine uptake systems with a low stringency for structural features. Putrescine, spermidine, and spermine have, therefore, been considered as potential vectors for the selective accumulation in tumors of therapeutically or diagnostically useful structures and elements. We envisaged N-benzyl derivatives of the polyamines as ve... aid3326.table aid3326.tbin
3327 2 Title: N-Benzylpolyamines as vectors of boron and fluorine for cancer therapy and imaging: synthesis and biological evaluation. Abstract: Cancer cells have high-affinity polyamine uptake systems with a low stringency for structural features. Putrescine, spermidine, and spermine have, therefore, been considered as potential vectors for the selective accumulation in tumors of therapeutically or diagnostically useful structures and elements. We envisaged N-benzyl derivatives of the polyamines as ve... aid3327.table aid3327.tbin
3328 5 Title: N-Benzylpolyamines as vectors of boron and fluorine for cancer therapy and imaging: synthesis and biological evaluation. Abstract: Cancer cells have high-affinity polyamine uptake systems with a low stringency for structural features. Putrescine, spermidine, and spermine have, therefore, been considered as potential vectors for the selective accumulation in tumors of therapeutically or diagnostically useful structures and elements. We envisaged N-benzyl derivatives of the polyamines as ve... aid3328.table aid3328.tbin
3329 4 Title: Novel mutual prodrug of retinoic and butyric acids with enhanced anticancer activity. Abstract: Acyloxylalkyl esters of retinoic acid and small carboxylic acids (C3-5) were evaluated for anticancer activity. The derivative of butyric acid (BA) and all-trans-retinoic acid (ATRA)-retinoyloxymethyl butyrate (RN1)-acting as a mutual prodrug was a more potent inducer of cancer cell differentiation and inhibitor of proliferation than the parent acids. ED50 of RN1 for differentiation induction i... aid3329.table aid3329.tbin
3330 2 Title: Synthesis and biological effects of novel thiocolchicines. 3. Evaluation of N-acyldeacetylthiocolchicines, N-(alkoxycarbonyl) deacetylthiocolchicines, and O-ethyldemethylthiocolchicines. New synthesis of thiodemecolcine and antileukemic effects of 2-demethyl- and 3-demethylthiocolchicine. Abstract: Novel and known analogues of thiocolchicine were evaluated in vitro in a tubulin binding assay and in vivo in mice for acute toxicity and in the P388 lymphocytic leukemia assay. This evaluation... aid3330.table aid3330.tbin
3331 1 Title: Synthesis and biological effects of novel thiocolchicines. 3. Evaluation of N-acyldeacetylthiocolchicines, N-(alkoxycarbonyl) deacetylthiocolchicines, and O-ethyldemethylthiocolchicines. New synthesis of thiodemecolcine and antileukemic effects of 2-demethyl- and 3-demethylthiocolchicine. Abstract: Novel and known analogues of thiocolchicine were evaluated in vitro in a tubulin binding assay and in vivo in mice for acute toxicity and in the P388 lymphocytic leukemia assay. This evaluation... aid3331.table aid3331.tbin
3332 1 Title: Synthesis and biological effects of novel thiocolchicines. 3. Evaluation of N-acyldeacetylthiocolchicines, N-(alkoxycarbonyl) deacetylthiocolchicines, and O-ethyldemethylthiocolchicines. New synthesis of thiodemecolcine and antileukemic effects of 2-demethyl- and 3-demethylthiocolchicine. Abstract: Novel and known analogues of thiocolchicine were evaluated in vitro in a tubulin binding assay and in vivo in mice for acute toxicity and in the P388 lymphocytic leukemia assay. This evaluation... aid3332.table aid3332.tbin
3333 1 Title: Synthesis and biological effects of novel thiocolchicines. 3. Evaluation of N-acyldeacetylthiocolchicines, N-(alkoxycarbonyl) deacetylthiocolchicines, and O-ethyldemethylthiocolchicines. New synthesis of thiodemecolcine and antileukemic effects of 2-demethyl- and 3-demethylthiocolchicine. Abstract: Novel and known analogues of thiocolchicine were evaluated in vitro in a tubulin binding assay and in vivo in mice for acute toxicity and in the P388 lymphocytic leukemia assay. This evaluation... aid3333.table aid3333.tbin
3334 3 Title: A disubstituted NAD+ analogue is a nanomolar inhibitor of trypanosomal glyceraldehyde-3-phosphate dehydrogenase. Abstract: N6-Naphthalenemethyl-2'-methoxybenzamido-beta-NAD+, a derivative of a low micromolar first-generation inhibitor of trypanosomal glyceraldehyde phosphate dehydrogenase (GAPDH), was synthesized, taking advantage of methodology for the selective phosphitylation of nucleosides. The compound was found to be a poor alternate cosubstrate for GAPDH, but an extremely potent in... aid3334.table aid3334.tbin
3335 1 Title: A disubstituted NAD+ analogue is a nanomolar inhibitor of trypanosomal glyceraldehyde-3-phosphate dehydrogenase. Abstract: N6-Naphthalenemethyl-2'-methoxybenzamido-beta-NAD+, a derivative of a low micromolar first-generation inhibitor of trypanosomal glyceraldehyde phosphate dehydrogenase (GAPDH), was synthesized, taking advantage of methodology for the selective phosphitylation of nucleosides. The compound was found to be a poor alternate cosubstrate for GAPDH, but an extremely potent in... aid3335.table aid3335.tbin
3336 30 Title: Potent gastrin-releasing peptide (GRP) antagonists derived from GRP (19-27) with a C-terminal DPro psi [CH2NH]Phe-NH2 and N-terminal aromatic residues. Abstract: We have previously reported that octapeptides with a -DPro psi[CH2NH]Phe- NH2 C-terminus are potent GRP antagonists and have greatly enhanced in vivo stability. Now we report the detailed syntheses of such peptides and additional attempts to further increase metabolic stability. Replacement of the -DPro psi[CH2NH]Phe-NH2 with a &... aid3336.table aid3336.tbin
3337 1 Title: Potent gastrin-releasing peptide (GRP) antagonists derived from GRP (19-27) with a C-terminal DPro psi [CH2NH]Phe-NH2 and N-terminal aromatic residues. Abstract: We have previously reported that octapeptides with a -DPro psi[CH2NH]Phe- NH2 C-terminus are potent GRP antagonists and have greatly enhanced in vivo stability. Now we report the detailed syntheses of such peptides and additional attempts to further increase metabolic stability. Replacement of the -DPro psi[CH2NH]Phe-NH2 with a &... aid3337.table aid3337.tbin
3338 1 Title: Potent gastrin-releasing peptide (GRP) antagonists derived from GRP (19-27) with a C-terminal DPro psi [CH2NH]Phe-NH2 and N-terminal aromatic residues. Abstract: We have previously reported that octapeptides with a -DPro psi[CH2NH]Phe- NH2 C-terminus are potent GRP antagonists and have greatly enhanced in vivo stability. Now we report the detailed syntheses of such peptides and additional attempts to further increase metabolic stability. Replacement of the -DPro psi[CH2NH]Phe-NH2 with a &... aid3338.table aid3338.tbin
3339 40 Title: Design and synthesis of peptidomimetic protein farnesyltransferase inhibitors as anti-Trypanosoma brucei agents. Abstract: On the basis of the structure of the CVIM tetrapeptide substrate of mammalian protein farnesyltransferase, a series of imidazole-containing peptidomimetics was designed and synthesized, and their inhibition activity against Trypanosoma brucei protein farnesyltransferase (TbPFT) was evaluated. Peptidomimetics where the 5-position of the imidazole ring was linked to the... aid3339.table aid3339.tbin
3340 4 Title: Design and synthesis of peptidomimetic protein farnesyltransferase inhibitors as anti-Trypanosoma brucei agents. Abstract: On the basis of the structure of the CVIM tetrapeptide substrate of mammalian protein farnesyltransferase, a series of imidazole-containing peptidomimetics was designed and synthesized, and their inhibition activity against Trypanosoma brucei protein farnesyltransferase (TbPFT) was evaluated. Peptidomimetics where the 5-position of the imidazole ring was linked to the... aid3340.table aid3340.tbin
3341 1 Title: Structural studies on bioactive compounds. 23. Synthesis of polyhydroxylated 2-phenylbenzothiazoles and a comparison of their cytotoxicities and pharmacological properties with genistein and quercetin. Abstract: A series of polyhydroxylated 2-phenylbenzothiazoles 3 has been prepared by demethylation of the precursor methoxylated 2-phenylbenzothiazoles 9. The key step in the construction of the benzothiazole nucleus involves a Jacobson cyclization of methoxylated thiobenzanilides 8. The ta... aid3341.table aid3341.tbin
3342 13 Title: Structural studies on bioactive compounds. 23. Synthesis of polyhydroxylated 2-phenylbenzothiazoles and a comparison of their cytotoxicities and pharmacological properties with genistein and quercetin. Abstract: A series of polyhydroxylated 2-phenylbenzothiazoles 3 has been prepared by demethylation of the precursor methoxylated 2-phenylbenzothiazoles 9. The key step in the construction of the benzothiazole nucleus involves a Jacobson cyclization of methoxylated thiobenzanilides 8. The ta... aid3342.table aid3342.tbin
3343 5 Title: Tyrosine kinase inhibitors. 2. Synthesis of 2,2'-dithiobis(1H-indole-3-alkanamides) and investigation of their inhibitory activity against epidermal growth factor receptor and pp60v-src protein tyrosine kinases. Abstract: A series of amide analogues of the 2,2'-dithiobis(1H-indole-3-alkaonic acid) class of tyrosine kinase inhibitors have been prepared, by reaction of 1H-indole-3-alkanamides (8) with S2Cl2, and separation of the desired disulfides from the initial mixtures of mono-, di-, a... aid3343.table aid3343.tbin
3344 1 Title: Synthesis of antitumor 6-alkylidenepenicillanate sulfones and related 3-alkylidene-2-azetidinones. Abstract: 6-alkylidenepenicillanate sulfoxides and sulfones were synthesized on the base of 6-oxopenicillanate esters. The targeted splitting of their thiazolidine ring led to the formation of 3-alkylidene substituted 4-heteryldithio and 4-methylsulfonyl azetidin-2-ones. Some of mono and bicyclic beta-lactams revealed potent cytotoxic properties towards monolayer tumor cells in &lt;10-microM... aid3344.table aid3344.tbin
3345 1 Title: Synthesis of antitumor 6-alkylidenepenicillanate sulfones and related 3-alkylidene-2-azetidinones. Abstract: 6-alkylidenepenicillanate sulfoxides and sulfones were synthesized on the base of 6-oxopenicillanate esters. The targeted splitting of their thiazolidine ring led to the formation of 3-alkylidene substituted 4-heteryldithio and 4-methylsulfonyl azetidin-2-ones. Some of mono and bicyclic beta-lactams revealed potent cytotoxic properties towards monolayer tumor cells in &lt;10-microM... aid3345.table aid3345.tbin
3346 13 Title: Synthesis of antitumor 6-alkylidenepenicillanate sulfones and related 3-alkylidene-2-azetidinones. Abstract: 6-alkylidenepenicillanate sulfoxides and sulfones were synthesized on the base of 6-oxopenicillanate esters. The targeted splitting of their thiazolidine ring led to the formation of 3-alkylidene substituted 4-heteryldithio and 4-methylsulfonyl azetidin-2-ones. Some of mono and bicyclic beta-lactams revealed potent cytotoxic properties towards monolayer tumor cells in &lt;10-microM... aid3346.table aid3346.tbin
3347 7 Title: Synthesis of antitumor 6-alkylidenepenicillanate sulfones and related 3-alkylidene-2-azetidinones. Abstract: 6-alkylidenepenicillanate sulfoxides and sulfones were synthesized on the base of 6-oxopenicillanate esters. The targeted splitting of their thiazolidine ring led to the formation of 3-alkylidene substituted 4-heteryldithio and 4-methylsulfonyl azetidin-2-ones. Some of mono and bicyclic beta-lactams revealed potent cytotoxic properties towards monolayer tumor cells in &lt;10-microM... aid3347.table aid3347.tbin
3348 1 Title: Synthesis of antitumor 6-alkylidenepenicillanate sulfones and related 3-alkylidene-2-azetidinones. Abstract: 6-alkylidenepenicillanate sulfoxides and sulfones were synthesized on the base of 6-oxopenicillanate esters. The targeted splitting of their thiazolidine ring led to the formation of 3-alkylidene substituted 4-heteryldithio and 4-methylsulfonyl azetidin-2-ones. Some of mono and bicyclic beta-lactams revealed potent cytotoxic properties towards monolayer tumor cells in &lt;10-microM... aid3348.table aid3348.tbin
3349 13 Title: Synthesis of antitumor 6-alkylidenepenicillanate sulfones and related 3-alkylidene-2-azetidinones. Abstract: 6-alkylidenepenicillanate sulfoxides and sulfones were synthesized on the base of 6-oxopenicillanate esters. The targeted splitting of their thiazolidine ring led to the formation of 3-alkylidene substituted 4-heteryldithio and 4-methylsulfonyl azetidin-2-ones. Some of mono and bicyclic beta-lactams revealed potent cytotoxic properties towards monolayer tumor cells in &lt;10-microM... aid3349.table aid3349.tbin
3350 7 Title: Synthesis of antitumor 6-alkylidenepenicillanate sulfones and related 3-alkylidene-2-azetidinones. Abstract: 6-alkylidenepenicillanate sulfoxides and sulfones were synthesized on the base of 6-oxopenicillanate esters. The targeted splitting of their thiazolidine ring led to the formation of 3-alkylidene substituted 4-heteryldithio and 4-methylsulfonyl azetidin-2-ones. Some of mono and bicyclic beta-lactams revealed potent cytotoxic properties towards monolayer tumor cells in &lt;10-microM... aid3350.table aid3350.tbin
3351 1 Title: Synthesis of antitumor 6-alkylidenepenicillanate sulfones and related 3-alkylidene-2-azetidinones. Abstract: 6-alkylidenepenicillanate sulfoxides and sulfones were synthesized on the base of 6-oxopenicillanate esters. The targeted splitting of their thiazolidine ring led to the formation of 3-alkylidene substituted 4-heteryldithio and 4-methylsulfonyl azetidin-2-ones. Some of mono and bicyclic beta-lactams revealed potent cytotoxic properties towards monolayer tumor cells in &lt;10-microM... aid3351.table aid3351.tbin
3352 1 Title: Inhibitors of farnesyltransferase: a rational approach to cancer chemotherapy? aid3352.table aid3352.tbin
3353 9 Title: Dianilinophthalimides: potent and selective, ATP-competitive inhibitors of the EGF-receptor protein tyrosine kinase. Abstract: Dianilinophthalimides represent a novel class of inhibitors of the EGF-receptor protein tyrosine kinase with a high degree of selectivity versus other tyrosine and serine/threonine kinases. Steady-state kinetic analysis of compound 3, which showed potent inhibitory activity, revealed competitive type kinetics relative to ATP. Despite a highly symmetrical structure... aid3353.table aid3353.tbin
3354 10 Title: Tyrosine kinase inhibitors. 3. Structure-activity relationships for inhibition of protein tyrosine kinases by nuclear-substituted derivatives of 2,2'-dithiobis(1-methyl-N-phenyl-1H-indole-3-carboxamide). Abstract: A series of indole-substituted 2,2'-dithiobis(1-methyl-N-phenyl-1H-indole-3-carboxamides) were prepared and evaluated for their ability to inhibit the tyrosine kinase activity of both the epidermal growth factor receptor (EGFR) and the nonreceptor pp60v-src tyrosine kinase. The ... aid3354.table aid3354.tbin
3355 4 Title: Novel tetranuclear orthometalated complexes of Pd(II) and Pt(II) derived from p-isopropylbenzaldehyde thiosemicarbazone with cytotoxic activity in cis-DDP resistant tumor cell lines. Interaction of these complexes with DNA. Abstract: The reaction of p-isopropylbenzaldehyde thiosemicarbazone [p-is.TSCN], 1, with palladium(II) acetate and potassium tetrachloroplatinate yielded two tetrameric orthopalladated isomers, [Pd(p-is.TSCN)]4 (complexes 2 and 3), and the platinum analogue [Pt(p-is.TS... aid3355.table aid3355.tbin
3356 2 Title: Potent gastrin-releasing peptide (GRP) antagonists derived from GRP (19-27) with a C-terminal DPro psi [CH2NH]Phe-NH2 and N-terminal aromatic residues. Abstract: We have previously reported that octapeptides with a -DPro psi[CH2NH]Phe- NH2 C-terminus are potent GRP antagonists and have greatly enhanced in vivo stability. Now we report the detailed syntheses of such peptides and additional attempts to further increase metabolic stability. Replacement of the -DPro psi[CH2NH]Phe-NH2 with a &... aid3356.table aid3356.tbin
3357 29 Title: Potent gastrin-releasing peptide (GRP) antagonists derived from GRP (19-27) with a C-terminal DPro psi [CH2NH]Phe-NH2 and N-terminal aromatic residues. Abstract: We have previously reported that octapeptides with a -DPro psi[CH2NH]Phe- NH2 C-terminus are potent GRP antagonists and have greatly enhanced in vivo stability. Now we report the detailed syntheses of such peptides and additional attempts to further increase metabolic stability. Replacement of the -DPro psi[CH2NH]Phe-NH2 with a &... aid3357.table aid3357.tbin
3358 1 Title: Potent gastrin-releasing peptide (GRP) antagonists derived from GRP (19-27) with a C-terminal DPro psi [CH2NH]Phe-NH2 and N-terminal aromatic residues. Abstract: We have previously reported that octapeptides with a -DPro psi[CH2NH]Phe- NH2 C-terminus are potent GRP antagonists and have greatly enhanced in vivo stability. Now we report the detailed syntheses of such peptides and additional attempts to further increase metabolic stability. Replacement of the -DPro psi[CH2NH]Phe-NH2 with a &... aid3358.table aid3358.tbin
3359 2 Title: Potent gastrin-releasing peptide (GRP) antagonists derived from GRP (19-27) with a C-terminal DPro psi [CH2NH]Phe-NH2 and N-terminal aromatic residues. Abstract: We have previously reported that octapeptides with a -DPro psi[CH2NH]Phe- NH2 C-terminus are potent GRP antagonists and have greatly enhanced in vivo stability. Now we report the detailed syntheses of such peptides and additional attempts to further increase metabolic stability. Replacement of the -DPro psi[CH2NH]Phe-NH2 with a &... aid3359.table aid3359.tbin
3360 18 Title: Potent gastrin-releasing peptide (GRP) antagonists derived from GRP (19-27) with a C-terminal DPro psi [CH2NH]Phe-NH2 and N-terminal aromatic residues. Abstract: We have previously reported that octapeptides with a -DPro psi[CH2NH]Phe- NH2 C-terminus are potent GRP antagonists and have greatly enhanced in vivo stability. Now we report the detailed syntheses of such peptides and additional attempts to further increase metabolic stability. Replacement of the -DPro psi[CH2NH]Phe-NH2 with a &... aid3360.table aid3360.tbin
3361 12 Title: Potent gastrin-releasing peptide (GRP) antagonists derived from GRP (19-27) with a C-terminal DPro psi [CH2NH]Phe-NH2 and N-terminal aromatic residues. Abstract: We have previously reported that octapeptides with a -DPro psi[CH2NH]Phe- NH2 C-terminus are potent GRP antagonists and have greatly enhanced in vivo stability. Now we report the detailed syntheses of such peptides and additional attempts to further increase metabolic stability. Replacement of the -DPro psi[CH2NH]Phe-NH2 with a &... aid3361.table aid3361.tbin
3362 2 Title: Synthesis of antitumor 6-alkylidenepenicillanate sulfones and related 3-alkylidene-2-azetidinones. Abstract: 6-alkylidenepenicillanate sulfoxides and sulfones were synthesized on the base of 6-oxopenicillanate esters. The targeted splitting of their thiazolidine ring led to the formation of 3-alkylidene substituted 4-heteryldithio and 4-methylsulfonyl azetidin-2-ones. Some of mono and bicyclic beta-lactams revealed potent cytotoxic properties towards monolayer tumor cells in &lt;10-microM... aid3362.table aid3362.tbin
3363 17 Title: Synthesis of antitumor 6-alkylidenepenicillanate sulfones and related 3-alkylidene-2-azetidinones. Abstract: 6-alkylidenepenicillanate sulfoxides and sulfones were synthesized on the base of 6-oxopenicillanate esters. The targeted splitting of their thiazolidine ring led to the formation of 3-alkylidene substituted 4-heteryldithio and 4-methylsulfonyl azetidin-2-ones. Some of mono and bicyclic beta-lactams revealed potent cytotoxic properties towards monolayer tumor cells in &lt;10-microM... aid3363.table aid3363.tbin
3364 11 Title: Rational design of 4,5-disubstituted-5,7-dihydro-pyrrolo[2,3-d]pyrimidin-6-ones as a novel class of inhibitors of epidermal growth factor receptor (EGF-R) and Her2(p185(erbB)) tyrosine kinases. Abstract: A novel class of 4,5-disubstituted-5,7-dihydro-pyrrolo[2,3-d]pyrimidin-6-ones has been discovered as potent and selective inhibitors of the EGF-R tyrosine kinase family. These compounds selectively inhibit EGF-R kinase activity at low nanomolar concentration and tyrosine autophosphorylati... aid3364.table aid3364.tbin
3365 3 Title: Rational design of 4,5-disubstituted-5,7-dihydro-pyrrolo[2,3-d]pyrimidin-6-ones as a novel class of inhibitors of epidermal growth factor receptor (EGF-R) and Her2(p185(erbB)) tyrosine kinases. Abstract: A novel class of 4,5-disubstituted-5,7-dihydro-pyrrolo[2,3-d]pyrimidin-6-ones has been discovered as potent and selective inhibitors of the EGF-R tyrosine kinase family. These compounds selectively inhibit EGF-R kinase activity at low nanomolar concentration and tyrosine autophosphorylati... aid3365.table aid3365.tbin
3366 11 Title: Rational design of 4,5-disubstituted-5,7-dihydro-pyrrolo[2,3-d]pyrimidin-6-ones as a novel class of inhibitors of epidermal growth factor receptor (EGF-R) and Her2(p185(erbB)) tyrosine kinases. Abstract: A novel class of 4,5-disubstituted-5,7-dihydro-pyrrolo[2,3-d]pyrimidin-6-ones has been discovered as potent and selective inhibitors of the EGF-R tyrosine kinase family. These compounds selectively inhibit EGF-R kinase activity at low nanomolar concentration and tyrosine autophosphorylati... aid3366.table aid3366.tbin
3367 3 Title: Rational design of 4,5-disubstituted-5,7-dihydro-pyrrolo[2,3-d]pyrimidin-6-ones as a novel class of inhibitors of epidermal growth factor receptor (EGF-R) and Her2(p185(erbB)) tyrosine kinases. Abstract: A novel class of 4,5-disubstituted-5,7-dihydro-pyrrolo[2,3-d]pyrimidin-6-ones has been discovered as potent and selective inhibitors of the EGF-R tyrosine kinase family. These compounds selectively inhibit EGF-R kinase activity at low nanomolar concentration and tyrosine autophosphorylati... aid3367.table aid3367.tbin
3368 3 Title: 2-Thio derivatives of dUrd and 5-fluoro-dUrd and their 5'-monophosphates: synthesis, interaction with tumor thymidylate synthase, and in vitro antitumor activity. Abstract: A convenient synthesis of 5-fluoro-2-thiouracil (11) is based on hydrolytic deamination of 5-fluoro-2-thiocytosine (9). Lewis acid-catalyzed condensation of di-TMS-5-fluoro-2-thiouracil (13) or di-TMS-2-thiouracil (14) with 2-deoxy-3,5-di-O-p-toluyl-D-ribofuranosyl chloride (15) led to mixtures of the beta- and alpha-a... aid3368.table aid3368.tbin
3369 3 Title: 2-Thio derivatives of dUrd and 5-fluoro-dUrd and their 5'-monophosphates: synthesis, interaction with tumor thymidylate synthase, and in vitro antitumor activity. Abstract: A convenient synthesis of 5-fluoro-2-thiouracil (11) is based on hydrolytic deamination of 5-fluoro-2-thiocytosine (9). Lewis acid-catalyzed condensation of di-TMS-5-fluoro-2-thiouracil (13) or di-TMS-2-thiouracil (14) with 2-deoxy-3,5-di-O-p-toluyl-D-ribofuranosyl chloride (15) led to mixtures of the beta- and alpha-a... aid3369.table aid3369.tbin
3370 3 Title: 2-Thio derivatives of dUrd and 5-fluoro-dUrd and their 5'-monophosphates: synthesis, interaction with tumor thymidylate synthase, and in vitro antitumor activity. Abstract: A convenient synthesis of 5-fluoro-2-thiouracil (11) is based on hydrolytic deamination of 5-fluoro-2-thiocytosine (9). Lewis acid-catalyzed condensation of di-TMS-5-fluoro-2-thiouracil (13) or di-TMS-2-thiouracil (14) with 2-deoxy-3,5-di-O-p-toluyl-D-ribofuranosyl chloride (15) led to mixtures of the beta- and alpha-a... aid3370.table aid3370.tbin
3371 3 Title: 2-Thio derivatives of dUrd and 5-fluoro-dUrd and their 5'-monophosphates: synthesis, interaction with tumor thymidylate synthase, and in vitro antitumor activity. Abstract: A convenient synthesis of 5-fluoro-2-thiouracil (11) is based on hydrolytic deamination of 5-fluoro-2-thiocytosine (9). Lewis acid-catalyzed condensation of di-TMS-5-fluoro-2-thiouracil (13) or di-TMS-2-thiouracil (14) with 2-deoxy-3,5-di-O-p-toluyl-D-ribofuranosyl chloride (15) led to mixtures of the beta- and alpha-a... aid3371.table aid3371.tbin
3372 3 Title: N3-methyl-mafosfamide as a chemically stable, alternative prodrug of mafosfamide. Abstract: The presence of an alkyl substituent at N3 in the oxazaphosphorine ring stabilizes N-substituted 4-(alkylthio)cyclophosphamides from spontaneous decomposition. Based on this finding, N3-methyl-mafosfamide was synthesized and examined as a chemically stable, biooxidative prodrug of mafosfamide. This prodrug was stable in aqueous buffer (pH 7.4, 37 degrees C) and underwent N-demethylation in a time d... aid3372.table aid3372.tbin
3373 12 Title: Tyrosine kinase inhibitors. 1. Structure-activity relationships for inhibition of epidermal growth factor receptor tyrosine kinase activity by 2,3-dihydro-2-thioxo-1H-indole-3-alkanoic acids and 2,2'-dithiobis(1H-indole-3-alkanoic acids). Abstract: A series of 2,3-dihydro-2-thioxo-1H-indole-3-alkanoic acids, and their methyl esters were prepared, the majority by oxidation of 1H-indole-3-alkanoic acids (DMSO/HCl), followed by thiation of the corresponding 2,3-dihydro-2-oxo-1H-indole-3-alka... aid3373.table aid3373.tbin
3374 7 Title: Pyrrolobenzoxazepinone derivatives as non-nucleoside HIV-1 RT inhibitors: further structure-activity relationship studies and identification of more potent broad-spectrum HIV-1 RT inhibitors with antiviral activity. Abstract: Pyrrolobenzoxazepinone (PBO) derivatives represent a new class of human immunodeficiency virus type 1 (HIV-1) non-nucleoside reverse transcriptase (RT) inhibitors (NNRTs) whose prototype is (+/-)-6-ethyl-6-phenylpyrrolo[2,1-d][1,5]benzoxazepin-7(6H)- one (6). Docking... aid3374.table aid3374.tbin
3375 18 Title: Adenosine analogues as selective inhibitors of glyceraldehyde-3-phosphate dehydrogenase of Trypanosomatidae via structure-based drug design. Abstract: In our continuation of the structure-based design of anti-trypanosomatid drugs, parasite-selective adenosine analogues were identified as low micromolar inhibitors of glyceraldehyde-3-phosphate dehydrogenase (GAPDH). Crystal structures of Trypanosoma brucei, Trypanosoma cruzi, Leishmania mexicana, and human GAPDH's provided details of how t... aid3375.table aid3375.tbin
3376 1 Title: Quinoxalinylethylpyridylthioureas (QXPTs) as potent non-nucleoside HIV-1 reverse transcriptase (RT) inhibitors. Further SAR studies and identification of a novel orally bioavailable hydrazine-based antiviral agent. Abstract: Quinoxalinylethylpyridylthioureas (QXPTs) represent a new class of human immunodeficiency virus type 1 (HIV-1) non-nucleoside reverse transcriptase (RT) inhibitors (NNRTIs) whose prototype is 6-FQXPT (6). Docking studies based on the three-dimensional structure of RT ... aid3376.table aid3376.tbin
3377 1 Title: Quinoxalinylethylpyridylthioureas (QXPTs) as potent non-nucleoside HIV-1 reverse transcriptase (RT) inhibitors. Further SAR studies and identification of a novel orally bioavailable hydrazine-based antiviral agent. Abstract: Quinoxalinylethylpyridylthioureas (QXPTs) represent a new class of human immunodeficiency virus type 1 (HIV-1) non-nucleoside reverse transcriptase (RT) inhibitors (NNRTIs) whose prototype is 6-FQXPT (6). Docking studies based on the three-dimensional structure of RT ... aid3377.table aid3377.tbin
3378 5 Title: Quinoxalinylethylpyridylthioureas (QXPTs) as potent non-nucleoside HIV-1 reverse transcriptase (RT) inhibitors. Further SAR studies and identification of a novel orally bioavailable hydrazine-based antiviral agent. Abstract: Quinoxalinylethylpyridylthioureas (QXPTs) represent a new class of human immunodeficiency virus type 1 (HIV-1) non-nucleoside reverse transcriptase (RT) inhibitors (NNRTIs) whose prototype is 6-FQXPT (6). Docking studies based on the three-dimensional structure of RT ... aid3378.table aid3378.tbin
3379 1 Title: Quinoxalinylethylpyridylthioureas (QXPTs) as potent non-nucleoside HIV-1 reverse transcriptase (RT) inhibitors. Further SAR studies and identification of a novel orally bioavailable hydrazine-based antiviral agent. Abstract: Quinoxalinylethylpyridylthioureas (QXPTs) represent a new class of human immunodeficiency virus type 1 (HIV-1) non-nucleoside reverse transcriptase (RT) inhibitors (NNRTIs) whose prototype is 6-FQXPT (6). Docking studies based on the three-dimensional structure of RT ... aid3379.table aid3379.tbin
3380 1 Title: Quinoxalinylethylpyridylthioureas (QXPTs) as potent non-nucleoside HIV-1 reverse transcriptase (RT) inhibitors. Further SAR studies and identification of a novel orally bioavailable hydrazine-based antiviral agent. Abstract: Quinoxalinylethylpyridylthioureas (QXPTs) represent a new class of human immunodeficiency virus type 1 (HIV-1) non-nucleoside reverse transcriptase (RT) inhibitors (NNRTIs) whose prototype is 6-FQXPT (6). Docking studies based on the three-dimensional structure of RT ... aid3380.table aid3380.tbin
3381 1 Title: Quinoxalinylethylpyridylthioureas (QXPTs) as potent non-nucleoside HIV-1 reverse transcriptase (RT) inhibitors. Further SAR studies and identification of a novel orally bioavailable hydrazine-based antiviral agent. Abstract: Quinoxalinylethylpyridylthioureas (QXPTs) represent a new class of human immunodeficiency virus type 1 (HIV-1) non-nucleoside reverse transcriptase (RT) inhibitors (NNRTIs) whose prototype is 6-FQXPT (6). Docking studies based on the three-dimensional structure of RT ... aid3381.table aid3381.tbin
3382 5 Title: Tyrosine kinase inhibitors. 4. Structure-activity relationships among N- and 3-substituted 2,2'-dithiobis(1H-indoles) for in vitro inhibition of receptor and nonreceptor protein tyrosine kinases. Abstract: A series of 3-substituted 2,2'-dithiobis(1H-indoles) were synthesized and evaluated for their ability to inhibit the tyrosine kinase activity of both the epidermal growth factor receptor (EGFR) and the nonreceptor pp60v-src tyrosine kinase, to extend the available structure-activity rel... aid3382.table aid3382.tbin
3383 1 Title: De novo antimicrobial peptides with low mammalian cell toxicity. Abstract: De novo antimicrobial peptides with the sequences: (KLAKKLA)n, (KLAKLAK)n (where n = 1,2,3), (KALKALK)3, (KLGKKLG)n, and (KAAKKAA)n (where n = 2,3), were prepared as the C-terminus amides. These peptides were designed to be perfectly amphipathic in helical conformations. Peptide antibacterial activity was tested against Escherichia coli, Pseudomonas aeruginosa, and Staphylococcus aureus. Peptide cytotoxicity was te... aid3383.table aid3383.tbin
3384 1 Title: Glucose transport-enhancing and hypoglycemic activity of 2-methyl-2-phenoxy-3-phenylpropanoic acids. Abstract: A series of 2-phenoxy-3-phenylpropanoic acids has been prepared which contains many potent hypoglycemic agents as demonstrated by assessing glucose lowering in ob/ob mice. Some compounds (32, 33, 59) normalize plasma glucose in this diabetic model at doses of approximately 1 mg/kg. The mechanism of action of these drugs may involve enhanced glucose transport, especially in fat ce... aid3384.table aid3384.tbin
3385 1 Title: Hypoglycemic activity of a series of alpha-alkylthio and alpha-alkoxy carboxylic acids related to ciglitazone. Abstract: The thiazolidinedione moiety of ciglitazone and its analogues can be replaced by an alpha-alkoxy or alpha-thioether carboxylic acid group. The influence of the nature of the R group, the length of the connector to the aromatic backbone of the molecule, and the stereochemistry have been studied. The most potent compounds have glucose-lowering activity at doses as low as ... aid3385.table aid3385.tbin
3386 3 Title: Hydroxyurea derivatives as hypoglycemic agents. aid3386.table aid3386.tbin
3387 3 Title: Hydroxyurea derivatives as hypoglycemic agents. aid3387.table aid3387.tbin
3388 4 Title: Hydroxyurea derivatives as hypoglycemic agents. aid3388.table aid3388.tbin
3389 4 Title: Ethnobotanical-directed discovery of the antihyperglycemic properties of cryptolepine: its isolation from Cryptolepis sanguinolenta, synthesis, and in vitro and in vivo activities. Abstract: Using an ethnobotanical approach in combination with in vivo-guided fractionation as a means for lead discovery, cryptolepine was isolated as an antihyperglycemic component of Cryptolepis sanguinolenta. Two syntheses of cryptolepine, including an unambiguous synthesis, are reported. The hydroiodide, h... aid3389.table aid3389.tbin
3390 4 Title: Ethnobotanical-directed discovery of the antihyperglycemic properties of cryptolepine: its isolation from Cryptolepis sanguinolenta, synthesis, and in vitro and in vivo activities. Abstract: Using an ethnobotanical approach in combination with in vivo-guided fractionation as a means for lead discovery, cryptolepine was isolated as an antihyperglycemic component of Cryptolepis sanguinolenta. Two syntheses of cryptolepine, including an unambiguous synthesis, are reported. The hydroiodide, h... aid3390.table aid3390.tbin
3391 1 Title: Glucose transport-enhancing and hypoglycemic activity of 2-methyl-2-phenoxy-3-phenylpropanoic acids. Abstract: A series of 2-phenoxy-3-phenylpropanoic acids has been prepared which contains many potent hypoglycemic agents as demonstrated by assessing glucose lowering in ob/ob mice. Some compounds (32, 33, 59) normalize plasma glucose in this diabetic model at doses of approximately 1 mg/kg. The mechanism of action of these drugs may involve enhanced glucose transport, especially in fat ce... aid3391.table aid3391.tbin
3392 6 Title: Glucose transport-enhancing and hypoglycemic activity of 2-methyl-2-phenoxy-3-phenylpropanoic acids. Abstract: A series of 2-phenoxy-3-phenylpropanoic acids has been prepared which contains many potent hypoglycemic agents as demonstrated by assessing glucose lowering in ob/ob mice. Some compounds (32, 33, 59) normalize plasma glucose in this diabetic model at doses of approximately 1 mg/kg. The mechanism of action of these drugs may involve enhanced glucose transport, especially in fat ce... aid3392.table aid3392.tbin
3393 5 Title: Glucose transport-enhancing and hypoglycemic activity of 2-methyl-2-phenoxy-3-phenylpropanoic acids. Abstract: A series of 2-phenoxy-3-phenylpropanoic acids has been prepared which contains many potent hypoglycemic agents as demonstrated by assessing glucose lowering in ob/ob mice. Some compounds (32, 33, 59) normalize plasma glucose in this diabetic model at doses of approximately 1 mg/kg. The mechanism of action of these drugs may involve enhanced glucose transport, especially in fat ce... aid3393.table aid3393.tbin
3394 6 Title: Glucose transport-enhancing and hypoglycemic activity of 2-methyl-2-phenoxy-3-phenylpropanoic acids. Abstract: A series of 2-phenoxy-3-phenylpropanoic acids has been prepared which contains many potent hypoglycemic agents as demonstrated by assessing glucose lowering in ob/ob mice. Some compounds (32, 33, 59) normalize plasma glucose in this diabetic model at doses of approximately 1 mg/kg. The mechanism of action of these drugs may involve enhanced glucose transport, especially in fat ce... aid3394.table aid3394.tbin
3395 1 Title: Glucose transport-enhancing and hypoglycemic activity of 2-methyl-2-phenoxy-3-phenylpropanoic acids. Abstract: A series of 2-phenoxy-3-phenylpropanoic acids has been prepared which contains many potent hypoglycemic agents as demonstrated by assessing glucose lowering in ob/ob mice. Some compounds (32, 33, 59) normalize plasma glucose in this diabetic model at doses of approximately 1 mg/kg. The mechanism of action of these drugs may involve enhanced glucose transport, especially in fat ce... aid3395.table aid3395.tbin
3396 1 Title: Glucose transport-enhancing and hypoglycemic activity of 2-methyl-2-phenoxy-3-phenylpropanoic acids. Abstract: A series of 2-phenoxy-3-phenylpropanoic acids has been prepared which contains many potent hypoglycemic agents as demonstrated by assessing glucose lowering in ob/ob mice. Some compounds (32, 33, 59) normalize plasma glucose in this diabetic model at doses of approximately 1 mg/kg. The mechanism of action of these drugs may involve enhanced glucose transport, especially in fat ce... aid3396.table aid3396.tbin
3397 1 Title: Glucose transport-enhancing and hypoglycemic activity of 2-methyl-2-phenoxy-3-phenylpropanoic acids. Abstract: A series of 2-phenoxy-3-phenylpropanoic acids has been prepared which contains many potent hypoglycemic agents as demonstrated by assessing glucose lowering in ob/ob mice. Some compounds (32, 33, 59) normalize plasma glucose in this diabetic model at doses of approximately 1 mg/kg. The mechanism of action of these drugs may involve enhanced glucose transport, especially in fat ce... aid3397.table aid3397.tbin
3398 1 Title: Glucose transport-enhancing and hypoglycemic activity of 2-methyl-2-phenoxy-3-phenylpropanoic acids. Abstract: A series of 2-phenoxy-3-phenylpropanoic acids has been prepared which contains many potent hypoglycemic agents as demonstrated by assessing glucose lowering in ob/ob mice. Some compounds (32, 33, 59) normalize plasma glucose in this diabetic model at doses of approximately 1 mg/kg. The mechanism of action of these drugs may involve enhanced glucose transport, especially in fat ce... aid3398.table aid3398.tbin
3399 1 Title: Glucose transport-enhancing and hypoglycemic activity of 2-methyl-2-phenoxy-3-phenylpropanoic acids. Abstract: A series of 2-phenoxy-3-phenylpropanoic acids has been prepared which contains many potent hypoglycemic agents as demonstrated by assessing glucose lowering in ob/ob mice. Some compounds (32, 33, 59) normalize plasma glucose in this diabetic model at doses of approximately 1 mg/kg. The mechanism of action of these drugs may involve enhanced glucose transport, especially in fat ce... aid3399.table aid3399.tbin
3400 13 Title: Glucose transport-enhancing and hypoglycemic activity of 2-methyl-2-phenoxy-3-phenylpropanoic acids. Abstract: A series of 2-phenoxy-3-phenylpropanoic acids has been prepared which contains many potent hypoglycemic agents as demonstrated by assessing glucose lowering in ob/ob mice. Some compounds (32, 33, 59) normalize plasma glucose in this diabetic model at doses of approximately 1 mg/kg. The mechanism of action of these drugs may involve enhanced glucose transport, especially in fat ce... aid3400.table aid3400.tbin
3401 34 Title: Glucose transport-enhancing and hypoglycemic activity of 2-methyl-2-phenoxy-3-phenylpropanoic acids. Abstract: A series of 2-phenoxy-3-phenylpropanoic acids has been prepared which contains many potent hypoglycemic agents as demonstrated by assessing glucose lowering in ob/ob mice. Some compounds (32, 33, 59) normalize plasma glucose in this diabetic model at doses of approximately 1 mg/kg. The mechanism of action of these drugs may involve enhanced glucose transport, especially in fat ce... aid3401.table aid3401.tbin
3402 8 Title: Glucose transport-enhancing and hypoglycemic activity of 2-methyl-2-phenoxy-3-phenylpropanoic acids. Abstract: A series of 2-phenoxy-3-phenylpropanoic acids has been prepared which contains many potent hypoglycemic agents as demonstrated by assessing glucose lowering in ob/ob mice. Some compounds (32, 33, 59) normalize plasma glucose in this diabetic model at doses of approximately 1 mg/kg. The mechanism of action of these drugs may involve enhanced glucose transport, especially in fat ce... aid3402.table aid3402.tbin
3403 2 Title: Glucose transport-enhancing and hypoglycemic activity of 2-methyl-2-phenoxy-3-phenylpropanoic acids. Abstract: A series of 2-phenoxy-3-phenylpropanoic acids has been prepared which contains many potent hypoglycemic agents as demonstrated by assessing glucose lowering in ob/ob mice. Some compounds (32, 33, 59) normalize plasma glucose in this diabetic model at doses of approximately 1 mg/kg. The mechanism of action of these drugs may involve enhanced glucose transport, especially in fat ce... aid3403.table aid3403.tbin
3404 1 Title: Glucose transport-enhancing and hypoglycemic activity of 2-methyl-2-phenoxy-3-phenylpropanoic acids. Abstract: A series of 2-phenoxy-3-phenylpropanoic acids has been prepared which contains many potent hypoglycemic agents as demonstrated by assessing glucose lowering in ob/ob mice. Some compounds (32, 33, 59) normalize plasma glucose in this diabetic model at doses of approximately 1 mg/kg. The mechanism of action of these drugs may involve enhanced glucose transport, especially in fat ce... aid3404.table aid3404.tbin
3405 32 Title: Glucose transport-enhancing and hypoglycemic activity of 2-methyl-2-phenoxy-3-phenylpropanoic acids. Abstract: A series of 2-phenoxy-3-phenylpropanoic acids has been prepared which contains many potent hypoglycemic agents as demonstrated by assessing glucose lowering in ob/ob mice. Some compounds (32, 33, 59) normalize plasma glucose in this diabetic model at doses of approximately 1 mg/kg. The mechanism of action of these drugs may involve enhanced glucose transport, especially in fat ce... aid3405.table aid3405.tbin
3406 17 Title: Glucose transport-enhancing and hypoglycemic activity of 2-methyl-2-phenoxy-3-phenylpropanoic acids. Abstract: A series of 2-phenoxy-3-phenylpropanoic acids has been prepared which contains many potent hypoglycemic agents as demonstrated by assessing glucose lowering in ob/ob mice. Some compounds (32, 33, 59) normalize plasma glucose in this diabetic model at doses of approximately 1 mg/kg. The mechanism of action of these drugs may involve enhanced glucose transport, especially in fat ce... aid3406.table aid3406.tbin
3407 21 Title: Glucose transport-enhancing and hypoglycemic activity of 2-methyl-2-phenoxy-3-phenylpropanoic acids. Abstract: A series of 2-phenoxy-3-phenylpropanoic acids has been prepared which contains many potent hypoglycemic agents as demonstrated by assessing glucose lowering in ob/ob mice. Some compounds (32, 33, 59) normalize plasma glucose in this diabetic model at doses of approximately 1 mg/kg. The mechanism of action of these drugs may involve enhanced glucose transport, especially in fat ce... aid3407.table aid3407.tbin
3408 6 Title: Glucose transport-enhancing and hypoglycemic activity of 2-methyl-2-phenoxy-3-phenylpropanoic acids. Abstract: A series of 2-phenoxy-3-phenylpropanoic acids has been prepared which contains many potent hypoglycemic agents as demonstrated by assessing glucose lowering in ob/ob mice. Some compounds (32, 33, 59) normalize plasma glucose in this diabetic model at doses of approximately 1 mg/kg. The mechanism of action of these drugs may involve enhanced glucose transport, especially in fat ce... aid3408.table aid3408.tbin
3409 6 Title: Glucose transport-enhancing and hypoglycemic activity of 2-methyl-2-phenoxy-3-phenylpropanoic acids. Abstract: A series of 2-phenoxy-3-phenylpropanoic acids has been prepared which contains many potent hypoglycemic agents as demonstrated by assessing glucose lowering in ob/ob mice. Some compounds (32, 33, 59) normalize plasma glucose in this diabetic model at doses of approximately 1 mg/kg. The mechanism of action of these drugs may involve enhanced glucose transport, especially in fat ce... aid3409.table aid3409.tbin
3410 6 Title: Glucose transport-enhancing and hypoglycemic activity of 2-methyl-2-phenoxy-3-phenylpropanoic acids. Abstract: A series of 2-phenoxy-3-phenylpropanoic acids has been prepared which contains many potent hypoglycemic agents as demonstrated by assessing glucose lowering in ob/ob mice. Some compounds (32, 33, 59) normalize plasma glucose in this diabetic model at doses of approximately 1 mg/kg. The mechanism of action of these drugs may involve enhanced glucose transport, especially in fat ce... aid3410.table aid3410.tbin
3411 6 Title: Glucose transport-enhancing and hypoglycemic activity of 2-methyl-2-phenoxy-3-phenylpropanoic acids. Abstract: A series of 2-phenoxy-3-phenylpropanoic acids has been prepared which contains many potent hypoglycemic agents as demonstrated by assessing glucose lowering in ob/ob mice. Some compounds (32, 33, 59) normalize plasma glucose in this diabetic model at doses of approximately 1 mg/kg. The mechanism of action of these drugs may involve enhanced glucose transport, especially in fat ce... aid3411.table aid3411.tbin
3412 2 Title: Glucose transport-enhancing and hypoglycemic activity of 2-methyl-2-phenoxy-3-phenylpropanoic acids. Abstract: A series of 2-phenoxy-3-phenylpropanoic acids has been prepared which contains many potent hypoglycemic agents as demonstrated by assessing glucose lowering in ob/ob mice. Some compounds (32, 33, 59) normalize plasma glucose in this diabetic model at doses of approximately 1 mg/kg. The mechanism of action of these drugs may involve enhanced glucose transport, especially in fat ce... aid3412.table aid3412.tbin
3413 2 Title: Glucose transport-enhancing and hypoglycemic activity of 2-methyl-2-phenoxy-3-phenylpropanoic acids. Abstract: A series of 2-phenoxy-3-phenylpropanoic acids has been prepared which contains many potent hypoglycemic agents as demonstrated by assessing glucose lowering in ob/ob mice. Some compounds (32, 33, 59) normalize plasma glucose in this diabetic model at doses of approximately 1 mg/kg. The mechanism of action of these drugs may involve enhanced glucose transport, especially in fat ce... aid3413.table aid3413.tbin
3414 1 Title: Glucose transport-enhancing and hypoglycemic activity of 2-methyl-2-phenoxy-3-phenylpropanoic acids. Abstract: A series of 2-phenoxy-3-phenylpropanoic acids has been prepared which contains many potent hypoglycemic agents as demonstrated by assessing glucose lowering in ob/ob mice. Some compounds (32, 33, 59) normalize plasma glucose in this diabetic model at doses of approximately 1 mg/kg. The mechanism of action of these drugs may involve enhanced glucose transport, especially in fat ce... aid3414.table aid3414.tbin
3415 2 Title: Glucose transport-enhancing and hypoglycemic activity of 2-methyl-2-phenoxy-3-phenylpropanoic acids. Abstract: A series of 2-phenoxy-3-phenylpropanoic acids has been prepared which contains many potent hypoglycemic agents as demonstrated by assessing glucose lowering in ob/ob mice. Some compounds (32, 33, 59) normalize plasma glucose in this diabetic model at doses of approximately 1 mg/kg. The mechanism of action of these drugs may involve enhanced glucose transport, especially in fat ce... aid3415.table aid3415.tbin
3416 72 Title: In vitro SAR of (5-(2H)-isoxazolonyl) ureas, potent inhibitors of hormone-sensitive lipase. Abstract: A series of (5-(2H)-isoxazolonyl) ureas were developed as nanomolar inhibitors of hormone-sensitive lipase, an enzyme of potential importance in the treatment of diabetes. aid3416.table aid3416.tbin
3417 2 Title: In vitro SAR of (5-(2H)-isoxazolonyl) ureas, potent inhibitors of hormone-sensitive lipase. Abstract: A series of (5-(2H)-isoxazolonyl) ureas were developed as nanomolar inhibitors of hormone-sensitive lipase, an enzyme of potential importance in the treatment of diabetes. aid3417.table aid3417.tbin
3418 18 Title: In vitro SAR of (5-(2H)-isoxazolonyl) ureas, potent inhibitors of hormone-sensitive lipase. Abstract: A series of (5-(2H)-isoxazolonyl) ureas were developed as nanomolar inhibitors of hormone-sensitive lipase, an enzyme of potential importance in the treatment of diabetes. aid3418.table aid3418.tbin
3419 18 Title: Hybridization of non-sulfonylurea insulin secretagogue and thiazolidinedione-derived insulin sensitizer. Abstract: Hybrid compounds of non-sulfonylurea insulinotropic agents and thiazolidinedione-derived insulin-sensitizing agents were designed and synthesized. The benzylidenesuccinic acid derivative 24 was equal both to nateglinide in potency of insulin-releasing activity and to pioglitazone in insulin-sensitizing activity. aid3419.table aid3419.tbin
3420 8 Title: Hybridization of non-sulfonylurea insulin secretagogue and thiazolidinedione-derived insulin sensitizer. Abstract: Hybrid compounds of non-sulfonylurea insulinotropic agents and thiazolidinedione-derived insulin-sensitizing agents were designed and synthesized. The benzylidenesuccinic acid derivative 24 was equal both to nateglinide in potency of insulin-releasing activity and to pioglitazone in insulin-sensitizing activity. aid3420.table aid3420.tbin
3421 25 Title: Molecular design, synthesis, and hypoglycemic activity of a series of thiazolidine-2,4-diones. Abstract: A series of imidazopyridine thiazolidine-2,4-diones were designed and synthesized from their corresponding pyridines. These compounds represent conformationally restricted analogues of the novel hypoglycemic compound rosiglitazone (5). The series was evaluated for its effect on insulin-induced 3T3-L1 adipocyte differentiation in vitro and its hypoglycemic activity in the genetically di... aid3421.table aid3421.tbin
3422 8 Title: Synthesis and insulin-sensitizing activity of a novel kind of benzopyran derivative. Abstract: A series of benzopyran derivatives was synthesized and their insulin-sensitizing activities were evaluated in 3T3-L1 cells. Compounds 6 and 11 exhibited more potent insulin-sensitizing activity than rosiglitazone. aid3422.table aid3422.tbin
3423 20 Title: Isoxazolidine-3,5-dione and noncyclic 1,3-dicarbonyl compounds as hypoglycemic agents. Abstract: Isoxazolidine-3,5-dione 2 (JTT-501), one of the cyclic malonic acid derivatives, was found to decrease blood glucose at an oral dose of 38 mg/kg/day in KKAy mice and is currently undergoing evaluation in phase II clinical trials. Further studies on a series of malonic acids and related compounds showed that the 1,3-dicarbonyl structure was important for insulin-sensitizing activity. Dimethyl m... aid3423.table aid3423.tbin
3424 15 Title: Synthesis and insulin-sensitizing activity of a novel kind of benzopyran derivative. Abstract: A series of benzopyran derivatives was synthesized and their insulin-sensitizing activities were evaluated in 3T3-L1 cells. Compounds 6 and 11 exhibited more potent insulin-sensitizing activity than rosiglitazone. aid3424.table aid3424.tbin
3425 29 Title: Antihyperglycemic activities of cryptolepine analogues: an ethnobotanical lead structure isolated from Cryptolepis sanguinolenta. Abstract: Cryptolepine (1) is a rare example of a natural product whose synthesis was reported prior to its isolation from nature. In the previous paper we reported the discovery of cryptolepine's antihyperglycemic properties. As part of a medicinal chemistry program designed to optimize natural product lead structures originating from our ethnobotanical and et... aid3425.table aid3425.tbin
3426 29 Title: Antihyperglycemic activities of cryptolepine analogues: an ethnobotanical lead structure isolated from Cryptolepis sanguinolenta. Abstract: Cryptolepine (1) is a rare example of a natural product whose synthesis was reported prior to its isolation from nature. In the previous paper we reported the discovery of cryptolepine's antihyperglycemic properties. As part of a medicinal chemistry program designed to optimize natural product lead structures originating from our ethnobotanical and et... aid3426.table aid3426.tbin
3427 29 Title: Antihyperglycemic activities of cryptolepine analogues: an ethnobotanical lead structure isolated from Cryptolepis sanguinolenta. Abstract: Cryptolepine (1) is a rare example of a natural product whose synthesis was reported prior to its isolation from nature. In the previous paper we reported the discovery of cryptolepine's antihyperglycemic properties. As part of a medicinal chemistry program designed to optimize natural product lead structures originating from our ethnobotanical and et... aid3427.table aid3427.tbin
3428 4 Title: Three new cyclostellettamines, which inhibit histone deacetylase, from a marine sponge of the genus Xestospongia. Abstract: Three new cyclostellettamines, cyclostellettamine G (1), dehydrocyclostellettamines D (2), and E (3), were isolated together with the known cyclostellettamine A (4) from a marine sponge of the genus Xestospongia as histone deacetylase inhibitors. Their structures were determined by spectral and chemical methods. They inhibit histone deacetylase derived from K562 huma... aid3428.table aid3428.tbin
3429 18 Title: Synthesis and evaluation of tryprostatin B and demethoxyfumitremorgin C analogues. Abstract: Tryprostatin B and demethoxyfumitremorgin C are fungal inhibitors of mammalian cell cycle progression at the G(2)/M transition. N-Alkyl derivatives of the L-Trp-L-Pro diketopiperazine were prepared as analogues of tryprostatin B, and two of these were more active than the natural product. A second series of cis- and trans-tetrahydro-beta-carbolines annulated to a diketopiperazine were prepared as ... aid3429.table aid3429.tbin
3430 18 Title: Synthesis and evaluation of tryprostatin B and demethoxyfumitremorgin C analogues. Abstract: Tryprostatin B and demethoxyfumitremorgin C are fungal inhibitors of mammalian cell cycle progression at the G(2)/M transition. N-Alkyl derivatives of the L-Trp-L-Pro diketopiperazine were prepared as analogues of tryprostatin B, and two of these were more active than the natural product. A second series of cis- and trans-tetrahydro-beta-carbolines annulated to a diketopiperazine were prepared as ... aid3430.table aid3430.tbin
3431 17 Title: Synthesis and evaluation of tryprostatin B and demethoxyfumitremorgin C analogues. Abstract: Tryprostatin B and demethoxyfumitremorgin C are fungal inhibitors of mammalian cell cycle progression at the G(2)/M transition. N-Alkyl derivatives of the L-Trp-L-Pro diketopiperazine were prepared as analogues of tryprostatin B, and two of these were more active than the natural product. A second series of cis- and trans-tetrahydro-beta-carbolines annulated to a diketopiperazine were prepared as ... aid3431.table aid3431.tbin
3432 1 Title: Synthesis and evaluation of tryprostatin B and demethoxyfumitremorgin C analogues. Abstract: Tryprostatin B and demethoxyfumitremorgin C are fungal inhibitors of mammalian cell cycle progression at the G(2)/M transition. N-Alkyl derivatives of the L-Trp-L-Pro diketopiperazine were prepared as analogues of tryprostatin B, and two of these were more active than the natural product. A second series of cis- and trans-tetrahydro-beta-carbolines annulated to a diketopiperazine were prepared as ... aid3432.table aid3432.tbin
3433 24 Title: Synthesis and antitumor activity of novel O-carbamoylmethyloxime derivatives of radicicol. Abstract: Radicicol (1), a macrocyclic antifungal antibiotic, is the lead compound of a novel class of heat shock protein 90 (Hsp90) inhibitors that result in the inhibition or degradation of Hsp90-associated proteins, such as v-src and Raf-1 kinases. New O-carbamoylmethyloxime derivatives of 1 were synthesized and evaluated for their in vitro antiproliferative activities against v-src- and K-ras-tr... aid3433.table aid3433.tbin
3434 71 Title: 6-Azasteroids: structure-activity relationships for inhibition of type 1 and 2 human 5 alpha-reductase and human adrenal 3 beta-hydroxy-delta 5-steroid dehydrogenase/3-keto-delta 5-steroid isomerase. Abstract: 6-Azaandrost-4-en-3-ones were synthesized and tested versus human type 1 and 2 steroid 5 alpha-reductase (5AR) and human adrenal 3 beta-hydroxy-delta 5-steroid dehydrogenase/3-keto-delta 5-steroid isomerase (3BHSD) to explore the structure-activity relationship of this novel series ... aid3434.table aid3434.tbin
3435 30 Title: Structure-activity relationships for inhibition of type 1 and 2 human 5 alpha-reductase and human adrenal 3 beta-hydroxy-delta 5-steroid dehydrogenase/3-keto-delta 5-steroid isomerase by 6-azaandrost-4-en-3-ones: optimization of the C17 substituent. Abstract: A variety of C17 amide-substituted 6-azaandrost-4-en-3-ones were prepared and tested versus human type 1 and 2 steroid 5 alpha-reductase (5AR) and human adrenal 3 beta-hydroxy-delta 5-steroid dehydrogenase/3-keto-delta 5-steroid isom... aid3435.table aid3435.tbin
3436 4 Title: Structure-activity relationships for inhibition of type 1 and 2 human 5 alpha-reductase and human adrenal 3 beta-hydroxy-delta 5-steroid dehydrogenase/3-keto-delta 5-steroid isomerase by 6-azaandrost-4-en-3-ones: optimization of the C17 substituent. Abstract: A variety of C17 amide-substituted 6-azaandrost-4-en-3-ones were prepared and tested versus human type 1 and 2 steroid 5 alpha-reductase (5AR) and human adrenal 3 beta-hydroxy-delta 5-steroid dehydrogenase/3-keto-delta 5-steroid isom... aid3436.table aid3436.tbin
3437 11 Title: Design, synthesis, and evaluation of postulated transient intermediate and substrate analogues as inhibitors of 4-hydroxyphenylpyruvate dioxygenase. Abstract: An epoxybenzoquinone, 4-hydroxyphenoxypropionic acid, and 2-hydroxy-3-phenyl-3-butenoic acid derivatives have been designed, synthesized, and evaluated for in vitro inhibition activity against 4-hydroxyphenylpyruvate dioxygenase (4-HPPD) from pig liver by the spectrophotometric enol-borate method. The biological data demonstrated th... aid3437.table aid3437.tbin
3438 3 Title: Acylcyclohexanedione derivatives as potential in vivo sequential inhibitors of 4-hydroxyphenylpyruvate dioxygenase and GA(20) 3beta-hydroxylase. Abstract: Acylcyclohexanedione derivatives have been designed, synthesized, and evaluated for in vitro inhibition activity against the enzyme 4-hydroxyphenylpyruvate dioxygenase (4-HPPD). The biological data demonstrated that 7 is a potent inhibitor of 4-HPPD with an IC(50) value of 40 nM. After metabolism, compound 7 has the potential to become ... aid3438.table aid3438.tbin
3439 10 Title: Mode of action of 4-hydroxyphenylpyruvate dioxygenase inhibition by triketone-type inhibitors. Abstract: A series of 2-(2-nitrobenzoyl)cyclohexane-1,3-dione analogues (1-9) were designed, synthesized, and evaluated for inhibition of 4-hydroxyphenylpyruvate dioxygenase (4-HPPD), a key enzyme involved in the catabolism of tyrosine which catalyzes the conversion of 4-hydroxyphenylpyruvate to homogentisate. The correlations between the results of enzyme inhibition, ferric chloride tests, and ... aid3439.table aid3439.tbin
3440 27 Title: 3D-QSAR studies on 4-hydroxyphenylpyruvate dioxygenase inhibitors by comparative molecular field analysis (CoMFA). Abstract: A comparative molecular field analysis (CoMFA) of alkanoic acid 3-oxo-cyclohex-1-enyl ester and 2-acylcyclohexane-1,3-dione derivatives of 4-hydroxyphenylpyruvate dioxygenase inhibitors has been performed to determine the factors required for the activity of these compounds. The substrate's conformation abstracted from dynamic modeling of the enzyme-substrate comple... aid3440.table aid3440.tbin
3441 27 Title: 3D-QSAR studies on 4-hydroxyphenylpyruvate dioxygenase inhibitors by comparative molecular field analysis (CoMFA). Abstract: A comparative molecular field analysis (CoMFA) of alkanoic acid 3-oxo-cyclohex-1-enyl ester and 2-acylcyclohexane-1,3-dione derivatives of 4-hydroxyphenylpyruvate dioxygenase inhibitors has been performed to determine the factors required for the activity of these compounds. The substrate's conformation abstracted from dynamic modeling of the enzyme-substrate comple... aid3441.table aid3441.tbin
3442 9 Title: Discovery of a potent, non-triketone type inhibitor of 4-hydroxyphenylpyruvate dioxygenase. Abstract: 3-Cyclopropanecarbonyloxy-2-cyclohexen-1-one has been found to be a new, potent, low molecular weight non-triketone type inhibitor of 4-hydroxyphenylpyruvate dioxygenase with IC50 value of 30 nM. Preliminary studies suggest that the two carbonyl groups present in the compound are crucial for the inhibition activity. aid3442.table aid3442.tbin
3443 1 Title: Inhibition of 4-hydroxyphenylpyruvate dioxygenase by sethoxydim, a potent inhibitor of acetyl-coenzyme A carboxylase. Abstract: Sethoxydim, a commercially available cyclohexanedione class herbicide by targeting the enzymatic activity of acetyl-coenzyme A carboxylase, has been found to moderately inhibit the activity of 4-hydroxyphenylpyruvate dioxygenase, a key enzyme in the biosynthesis of plastoquinones and tocopherols in plants. aid3443.table aid3443.tbin
3444 1 Title: SAR studies of 2-o-substituted-benzoyl- and 2-alkanoyl-cyclohexane-1,3-diones as inhibitors of 4-hydroxyphenylpyruvate dioxygenase. Abstract: Inhibition studies of 4-hydroxyphenylpyruvate dioxygenase (HPPD) with various synthesized 2-o-substituted-benzoyl- and 2-alkanoyl-cyclohexane-1,3-diones suggest that the presence of a strongly electronegative group at the ortho position and the conformation of the benzene ring moiety on the benzoylcyclohexane-1,3-dione inhibitors are crucial for pot... aid3444.table aid3444.tbin
3445 1 Title: Inhibition of 4-hydroxyphenylpyruvate dioxygenase by sethoxydim, a potent inhibitor of acetyl-coenzyme A carboxylase. Abstract: Sethoxydim, a commercially available cyclohexanedione class herbicide by targeting the enzymatic activity of acetyl-coenzyme A carboxylase, has been found to moderately inhibit the activity of 4-hydroxyphenylpyruvate dioxygenase, a key enzyme in the biosynthesis of plastoquinones and tocopherols in plants. aid3445.table aid3445.tbin
3446 13 Title: SAR studies of 2-o-substituted-benzoyl- and 2-alkanoyl-cyclohexane-1,3-diones as inhibitors of 4-hydroxyphenylpyruvate dioxygenase. Abstract: Inhibition studies of 4-hydroxyphenylpyruvate dioxygenase (HPPD) with various synthesized 2-o-substituted-benzoyl- and 2-alkanoyl-cyclohexane-1,3-diones suggest that the presence of a strongly electronegative group at the ortho position and the conformation of the benzene ring moiety on the benzoylcyclohexane-1,3-dione inhibitors are crucial for pot... aid3446.table aid3446.tbin
3447 1 Title: Inhibition of 4-hydroxyphenylpyruvate dioxygenase by sethoxydim, a potent inhibitor of acetyl-coenzyme A carboxylase. Abstract: Sethoxydim, a commercially available cyclohexanedione class herbicide by targeting the enzymatic activity of acetyl-coenzyme A carboxylase, has been found to moderately inhibit the activity of 4-hydroxyphenylpyruvate dioxygenase, a key enzyme in the biosynthesis of plastoquinones and tocopherols in plants. aid3447.table aid3447.tbin
3448 1 Title: Inhibition of 4-hydroxyphenylpyruvate dioxygenase by sethoxydim, a potent inhibitor of acetyl-coenzyme A carboxylase. Abstract: Sethoxydim, a commercially available cyclohexanedione class herbicide by targeting the enzymatic activity of acetyl-coenzyme A carboxylase, has been found to moderately inhibit the activity of 4-hydroxyphenylpyruvate dioxygenase, a key enzyme in the biosynthesis of plastoquinones and tocopherols in plants. aid3448.table aid3448.tbin
3449 5 Title: 3D-QSAR studies on 4-hydroxyphenylpyruvate dioxygenase inhibitors by comparative molecular field analysis (CoMFA). Abstract: A comparative molecular field analysis (CoMFA) of alkanoic acid 3-oxo-cyclohex-1-enyl ester and 2-acylcyclohexane-1,3-dione derivatives of 4-hydroxyphenylpyruvate dioxygenase inhibitors has been performed to determine the factors required for the activity of these compounds. The substrate's conformation abstracted from dynamic modeling of the enzyme-substrate comple... aid3449.table aid3449.tbin
3450 5 Title: 3D-QSAR studies on 4-hydroxyphenylpyruvate dioxygenase inhibitors by comparative molecular field analysis (CoMFA). Abstract: A comparative molecular field analysis (CoMFA) of alkanoic acid 3-oxo-cyclohex-1-enyl ester and 2-acylcyclohexane-1,3-dione derivatives of 4-hydroxyphenylpyruvate dioxygenase inhibitors has been performed to determine the factors required for the activity of these compounds. The substrate's conformation abstracted from dynamic modeling of the enzyme-substrate comple... aid3450.table aid3450.tbin
3451 1 Title: Exploring QSAR of melatonin receptor ligand benzofuran derivatives using E-state index. Abstract: Considering the recent challenge to the medicinal chemists for the development of selective melatonin receptor ligands, an attempt has been made to explore physicochemical requirements of benzofuran derivatives for binding with human MT1 and MT2 receptor subtypes and also to explore selectivity requirements. In this study, E-states of different common atoms of the molecules (calculated accord... aid3451.table aid3451.tbin
3452 1 Compound was tested for inhibitory activity against 5-hydroxytryptamine 1 receptor aid3452.table aid3452.tbin
3453 3 Title: Phosphinic acid analogues of GABA. 1. New potent and selective GABAB agonists. Abstract: The antispastic agent and muscle relaxant baclofen 1 is a potent and selective agonist for bicuculline-insensitive GABAB receptors. For many years efforts to obtain superior GABAB agonists were unsuccessful. We describe the syntheses and biological properties of two new series of GABAB agonists, the best compounds of which are more potent than baclofen in vitro and in vivo. They were obtained by repla... aid3453.table aid3453.tbin
3454 1 Title: Phosphinic acid analogues of GABA. 2. Selective, orally active GABAB antagonists. Abstract: In 1987, 25 years after the synthesis of the potent and selective GABAB agonist baclofen (1), Kerr et al. described the first GABAB antagonist phaclofen 2. However, phaclofen and structurally similar derivatives 3-5 did not cross the blood-brain barrier and hence were inactive in vivo as central nervous system agents. As a consequence, the therapeutic potential of GABAB antagonists remained unclear... aid3454.table aid3454.tbin
3455 1 Title: Benzoxazole derivatives as novel 5-HT3 receptor partial agonists in the gut. Abstract: A series of benzoxazoles with a nitrogen-containing heterocyclic substituent at the 2-position was prepared and evaluated for 5-HT3 partial agonist activity on isolated guinea pig ileum. The nature of the substituent at the 5-position of the benzoxazole ring affected the potency for the 5-HT3 receptor, and the 5-chloro derivatives showed increased potency and lowered intrinsic activity. 5-Chloro-7-methy... aid3455.table aid3455.tbin
3456 1 Title: Synthesis and pharmacological characterization of 3-[2-((3aR,9bR)-cis-6-methoxy-2,3,3a,4,5,9b-hexahydro-1H-benz[e] isoindol-2-yl)ethyl]pyrido-[3',4':4,5]thieno[3,2-d]pyrimidine-2,4 (1H,3H)-dione (A-131701): a uroselective alpha 1A adrenoceptor antagonist for the symptomatic treatment of benign prostatic hyperplasia. aid3456.table aid3456.tbin
3457 1 Title: Novel 2-substituted tetrahydro-3H-benz[e]indolamines: highly potent and selective agonists acting at the 5-HT1A receptor as possible anxiolytics and antidepressants. Abstract: The synthesis of (+)-(R)-2-cyano-N,N-dipropyl-8-amino-6,7,8,9-tetrahydro-3H- benz[e]indole [(R)-14, U92016A], a potent 5-HT1A agonist, and related analogs is described. In vitro binding studies show that the (R)-enantiomers of this series possess the highest potency for the 5-HT1A receptor. In vivo hypothermia corre... aid3457.table aid3457.tbin
3458 35 Title: Novel and selective partial agonists of 5-HT3 receptors. 2. Synthesis and biological evaluation of piperazinopyridopyrrolopyrazines, piperazinopyrroloquinoxalines, and piperazinopyridopyrroloquinoxalines. Abstract: In continuation of our previous work on piperazinopyrrolothienopyrazine derivatives, three series of piperazinopyridopyrrolopyrazines, piperazinopyrroloquinoxalines, and piperazinopyridopyrroloquinoxalines were prepared and evaluated as 5-HT3 receptor ligands. The chemical modi... aid3458.table aid3458.tbin
3459 47 Title: Novel selective and partial agonists of 5-HT3 receptors. Part 1. Synthesis and biological evaluation of piperazinopyrrolothienopyrazines. Abstract: A series of piperazinopyrrolo[1,2-a]thieno[3,2-e]- and -[2,3-e]pyrazine derivatives were prepared and evaluated in order to determine the necessary requirements for high affinity on the 5-HT3 receptors and high selectivity versus other 5-HT receptor subtypes. Various substitutions on the piperazine and the thiophene ring of the pyrrolothienopy... aid3459.table aid3459.tbin
3460 21 Title: Novel benzothiazolin-2-one and benzoxazin-3-one arylpiperazine derivatives with mixed 5HT1A/D2 affinity as potential atypical antipsychotics. Abstract: Since it was known that 5HT properties (5HT1A agonism or 5HT2A antagonism) combined with D2 antagonism may lead to atypical antipsychotic drugs, a series of 19 benzothiazolin-2-one and benzoxazin-3-one derivatives possessing the arylpiperazine moiety was prepared, and their binding profiles were investigated. All tested compounds displayed... aid3460.table aid3460.tbin
3461 2 Title: Centrally acting serotonergic and dopaminergic agents. 1. Synthesis and structure-activity relationships of 2,3,3a,4,5,9b-hexahydro-1H-benz[e]indole derivatives. Abstract: The synthesis and structure-activity relationships (SAR) of 2,3,3a,4,5,9b-hexahydro-1H-benz[e]indole derivatives (3) are described. These compounds are conformationally restricted, angular tricyclic analogs of 2-aminotetralin. The synthesis was achieved in several steps from the corresponding 2-tetralones. The enantiome... aid3461.table aid3461.tbin
3462 1 Title: Centrally acting serotonergic and dopaminergic agents. 2. Synthesis and structure-activity relationships of 2,3,3a,4,9,9a-hexahydro-1H-benz[f]indole derivatives. Abstract: The conformationally restricted linear tricyclic analogs of 5- and 8-hydroxy-2-(di-n-propylamino)-tetralins were investigated for their serotonergic and dopaminergic properties. These cis and trans analogs of 2,3,3a,4,9,9a-hexahydro-1H-benz[f]indole (3), where a five-membered ring is fused between the nitrogen and C-3 c... aid3462.table aid3462.tbin
3463 4 Title: Preparation and biodistribution of 1-[2-(3-[125I]iodo-4-aminophenyl)ethyl]-4-[3-(trifluoromethyl) phenyl]piperazine and 1-[2-(3-[125I]iodo-4-azidophenyl)ethyl]-4-[3-(trifluoromethyl)phenyl] piperazine. Abstract: The iodinated analogue of 1-[2-(4-aminophenyl)ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine (PAPP), IPAPP (4), and the corresponding azido compound azido-IPAPP (5) were synthesized. The corresponding no-carrier-added 125I (T1/2 = 60 days, 35-60 keV) labeled compounds were also pr... aid3463.table aid3463.tbin
3464 1 Title: Preparation and biodistribution of 1-[2-(3-[125I]iodo-4-aminophenyl)ethyl]-4-[3-(trifluoromethyl) phenyl]piperazine and 1-[2-(3-[125I]iodo-4-azidophenyl)ethyl]-4-[3-(trifluoromethyl)phenyl] piperazine. Abstract: The iodinated analogue of 1-[2-(4-aminophenyl)ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine (PAPP), IPAPP (4), and the corresponding azido compound azido-IPAPP (5) were synthesized. The corresponding no-carrier-added 125I (T1/2 = 60 days, 35-60 keV) labeled compounds were also pr... aid3464.table aid3464.tbin
3465 1 Title: Preparation and biodistribution of 1-[2-(3-[125I]iodo-4-aminophenyl)ethyl]-4-[3-(trifluoromethyl) phenyl]piperazine and 1-[2-(3-[125I]iodo-4-azidophenyl)ethyl]-4-[3-(trifluoromethyl)phenyl] piperazine. Abstract: The iodinated analogue of 1-[2-(4-aminophenyl)ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine (PAPP), IPAPP (4), and the corresponding azido compound azido-IPAPP (5) were synthesized. The corresponding no-carrier-added 125I (T1/2 = 60 days, 35-60 keV) labeled compounds were also pr... aid3465.table aid3465.tbin
3466 1 Title: Preparation and biodistribution of 1-[2-(3-[125I]iodo-4-aminophenyl)ethyl]-4-[3-(trifluoromethyl) phenyl]piperazine and 1-[2-(3-[125I]iodo-4-azidophenyl)ethyl]-4-[3-(trifluoromethyl)phenyl] piperazine. Abstract: The iodinated analogue of 1-[2-(4-aminophenyl)ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine (PAPP), IPAPP (4), and the corresponding azido compound azido-IPAPP (5) were synthesized. The corresponding no-carrier-added 125I (T1/2 = 60 days, 35-60 keV) labeled compounds were also pr... aid3466.table aid3466.tbin
3467 1 Title: Preparation and biodistribution of 1-[2-(3-[125I]iodo-4-aminophenyl)ethyl]-4-[3-(trifluoromethyl) phenyl]piperazine and 1-[2-(3-[125I]iodo-4-azidophenyl)ethyl]-4-[3-(trifluoromethyl)phenyl] piperazine. Abstract: The iodinated analogue of 1-[2-(4-aminophenyl)ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine (PAPP), IPAPP (4), and the corresponding azido compound azido-IPAPP (5) were synthesized. The corresponding no-carrier-added 125I (T1/2 = 60 days, 35-60 keV) labeled compounds were also pr... aid3467.table aid3467.tbin
3468 1 Title: Centrally acting serotonergic and dopaminergic agents. 2. Synthesis and structure-activity relationships of 2,3,3a,4,9,9a-hexahydro-1H-benz[f]indole derivatives. Abstract: The conformationally restricted linear tricyclic analogs of 5- and 8-hydroxy-2-(di-n-propylamino)-tetralins were investigated for their serotonergic and dopaminergic properties. These cis and trans analogs of 2,3,3a,4,9,9a-hexahydro-1H-benz[f]indole (3), where a five-membered ring is fused between the nitrogen and C-3 c... aid3468.table aid3468.tbin
3469 2 Title: Comparison of 5-HT1A and dopamine D2 pharmacophores. X-ray structures and affinities of conformationally constrained ligands. Abstract: Conformational and molecular mechanics studies of a new series of tricyclic ligands with affinity for either the dopamine D2 receptor or the 5-HT1A receptor, or both, has enabled us to elaborate considerably on previous pharmacophore models for these receptors. The new tricyclic ligands are either angular, 2,3,3a,4,5,9b-hexahydro-1H-benz[e]indole derivati... aid3469.table aid3469.tbin
3470 6 Title: New benzocycloalkylpiperazines, potent and selective 5-HT1A receptor ligands. Abstract: A series of 1-(benzocycloalkyl)-4-(benzamidolkyl)piperazine derivatives was prepared in order to obtain compounds with a high affinity and selectivity for 5-HT1A receptors. The modifications of aromatic substituents, the length of the alkyl chain, and the size of the ring were explored. Most of N-(1,2,3,4-tetrahydronaphthyl)-N'-(benzamidoethyl)piperazines (32-37) were bound to 5-HT1A receptors in a nan... aid3470.table aid3470.tbin
3471 13 Title: Novel 2-substituted tetrahydro-3H-benz[e]indolamines: highly potent and selective agonists acting at the 5-HT1A receptor as possible anxiolytics and antidepressants. Abstract: The synthesis of (+)-(R)-2-cyano-N,N-dipropyl-8-amino-6,7,8,9-tetrahydro-3H- benz[e]indole [(R)-14, U92016A], a potent 5-HT1A agonist, and related analogs is described. In vitro binding studies show that the (R)-enantiomers of this series possess the highest potency for the 5-HT1A receptor. In vivo hypothermia corre... aid3471.table aid3471.tbin
3472 1 Title: New benzocycloalkylpiperazines, potent and selective 5-HT1A receptor ligands. Abstract: A series of 1-(benzocycloalkyl)-4-(benzamidolkyl)piperazine derivatives was prepared in order to obtain compounds with a high affinity and selectivity for 5-HT1A receptors. The modifications of aromatic substituents, the length of the alkyl chain, and the size of the ring were explored. Most of N-(1,2,3,4-tetrahydronaphthyl)-N'-(benzamidoethyl)piperazines (32-37) were bound to 5-HT1A receptors in a nan... aid3472.table aid3472.tbin
3473 3 Title: Dopaminergic and serotonergic activities of imidazoquinolinones and related compounds. Abstract: The synthesis of 5-(dipropylamino)-5,6-dihydro-4H-imidazo[4,5,1-ij] quinolin-2(1H)-one (5), a potent dopamine D2 agonist showing high dopamine/serotonin (5HT1A) selectivity, is described. Dopaminergic activity is associated with the (R)-enantiomer of 5; the (S)-enantiomer shows no dopaminergic activity. A series of analogues where the imidazolone ring was modified to various 5- or 6-membered h... aid3473.table aid3473.tbin
3474 32 Title: Dopaminergic and serotonergic activities of imidazoquinolinones and related compounds. Abstract: The synthesis of 5-(dipropylamino)-5,6-dihydro-4H-imidazo[4,5,1-ij] quinolin-2(1H)-one (5), a potent dopamine D2 agonist showing high dopamine/serotonin (5HT1A) selectivity, is described. Dopaminergic activity is associated with the (R)-enantiomer of 5; the (S)-enantiomer shows no dopaminergic activity. A series of analogues where the imidazolone ring was modified to various 5- or 6-membered h... aid3474.table aid3474.tbin
3475 1 Title: Centrally acting serotonergic and dopaminergic agents. 1. Synthesis and structure-activity relationships of 2,3,3a,4,5,9b-hexahydro-1H-benz[e]indole derivatives. Abstract: The synthesis and structure-activity relationships (SAR) of 2,3,3a,4,5,9b-hexahydro-1H-benz[e]indole derivatives (3) are described. These compounds are conformationally restricted, angular tricyclic analogs of 2-aminotetralin. The synthesis was achieved in several steps from the corresponding 2-tetralones. The enantiome... aid3475.table aid3475.tbin
3476 1 Title: Centrally acting serotonergic and dopaminergic agents. 1. Synthesis and structure-activity relationships of 2,3,3a,4,5,9b-hexahydro-1H-benz[e]indole derivatives. Abstract: The synthesis and structure-activity relationships (SAR) of 2,3,3a,4,5,9b-hexahydro-1H-benz[e]indole derivatives (3) are described. These compounds are conformationally restricted, angular tricyclic analogs of 2-aminotetralin. The synthesis was achieved in several steps from the corresponding 2-tetralones. The enantiome... aid3476.table aid3476.tbin
3477 26 Title: Centrally acting serotonergic and dopaminergic agents. 1. Synthesis and structure-activity relationships of 2,3,3a,4,5,9b-hexahydro-1H-benz[e]indole derivatives. Abstract: The synthesis and structure-activity relationships (SAR) of 2,3,3a,4,5,9b-hexahydro-1H-benz[e]indole derivatives (3) are described. These compounds are conformationally restricted, angular tricyclic analogs of 2-aminotetralin. The synthesis was achieved in several steps from the corresponding 2-tetralones. The enantiome... aid3477.table aid3477.tbin
3478 21 Title: Centrally acting serotonergic and dopaminergic agents. 2. Synthesis and structure-activity relationships of 2,3,3a,4,9,9a-hexahydro-1H-benz[f]indole derivatives. Abstract: The conformationally restricted linear tricyclic analogs of 5- and 8-hydroxy-2-(di-n-propylamino)-tetralins were investigated for their serotonergic and dopaminergic properties. These cis and trans analogs of 2,3,3a,4,9,9a-hexahydro-1H-benz[f]indole (3), where a five-membered ring is fused between the nitrogen and C-3 c... aid3478.table aid3478.tbin
3479 7 Title: Centrally acting serotonergic and dopaminergic agents. 1. Synthesis and structure-activity relationships of 2,3,3a,4,5,9b-hexahydro-1H-benz[e]indole derivatives. Abstract: The synthesis and structure-activity relationships (SAR) of 2,3,3a,4,5,9b-hexahydro-1H-benz[e]indole derivatives (3) are described. These compounds are conformationally restricted, angular tricyclic analogs of 2-aminotetralin. The synthesis was achieved in several steps from the corresponding 2-tetralones. The enantiome... aid3479.table aid3479.tbin
3480 51 Title: Comparison of 5-HT1A and dopamine D2 pharmacophores. X-ray structures and affinities of conformationally constrained ligands. Abstract: Conformational and molecular mechanics studies of a new series of tricyclic ligands with affinity for either the dopamine D2 receptor or the 5-HT1A receptor, or both, has enabled us to elaborate considerably on previous pharmacophore models for these receptors. The new tricyclic ligands are either angular, 2,3,3a,4,5,9b-hexahydro-1H-benz[e]indole derivati... aid3480.table aid3480.tbin
3481 8 Compound was tested for its binding affinity against 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT radioligand aid3481.table aid3481.tbin
3482 3 Title: Preparation and biodistribution of 1-[2-(3-[125I]iodo-4-aminophenyl)ethyl]-4-[3-(trifluoromethyl) phenyl]piperazine and 1-[2-(3-[125I]iodo-4-azidophenyl)ethyl]-4-[3-(trifluoromethyl)phenyl] piperazine. Abstract: The iodinated analogue of 1-[2-(4-aminophenyl)ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine (PAPP), IPAPP (4), and the corresponding azido compound azido-IPAPP (5) were synthesized. The corresponding no-carrier-added 125I (T1/2 = 60 days, 35-60 keV) labeled compounds were also pr... aid3482.table aid3482.tbin
3483 1 Title: Preparation and biodistribution of 1-[2-(3-[125I]iodo-4-aminophenyl)ethyl]-4-[3-(trifluoromethyl) phenyl]piperazine and 1-[2-(3-[125I]iodo-4-azidophenyl)ethyl]-4-[3-(trifluoromethyl)phenyl] piperazine. Abstract: The iodinated analogue of 1-[2-(4-aminophenyl)ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine (PAPP), IPAPP (4), and the corresponding azido compound azido-IPAPP (5) were synthesized. The corresponding no-carrier-added 125I (T1/2 = 60 days, 35-60 keV) labeled compounds were also pr... aid3483.table aid3483.tbin
3484 1 Title: Preparation and biodistribution of 1-[2-(3-[125I]iodo-4-aminophenyl)ethyl]-4-[3-(trifluoromethyl) phenyl]piperazine and 1-[2-(3-[125I]iodo-4-azidophenyl)ethyl]-4-[3-(trifluoromethyl)phenyl] piperazine. Abstract: The iodinated analogue of 1-[2-(4-aminophenyl)ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine (PAPP), IPAPP (4), and the corresponding azido compound azido-IPAPP (5) were synthesized. The corresponding no-carrier-added 125I (T1/2 = 60 days, 35-60 keV) labeled compounds were also pr... aid3484.table aid3484.tbin
3485 1 Title: Preparation and biodistribution of 1-[2-(3-[125I]iodo-4-aminophenyl)ethyl]-4-[3-(trifluoromethyl) phenyl]piperazine and 1-[2-(3-[125I]iodo-4-azidophenyl)ethyl]-4-[3-(trifluoromethyl)phenyl] piperazine. Abstract: The iodinated analogue of 1-[2-(4-aminophenyl)ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine (PAPP), IPAPP (4), and the corresponding azido compound azido-IPAPP (5) were synthesized. The corresponding no-carrier-added 125I (T1/2 = 60 days, 35-60 keV) labeled compounds were also pr... aid3485.table aid3485.tbin
3486 3 Title: Preparation and biodistribution of 1-[2-(3-[125I]iodo-4-aminophenyl)ethyl]-4-[3-(trifluoromethyl) phenyl]piperazine and 1-[2-(3-[125I]iodo-4-azidophenyl)ethyl]-4-[3-(trifluoromethyl)phenyl] piperazine. Abstract: The iodinated analogue of 1-[2-(4-aminophenyl)ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine (PAPP), IPAPP (4), and the corresponding azido compound azido-IPAPP (5) were synthesized. The corresponding no-carrier-added 125I (T1/2 = 60 days, 35-60 keV) labeled compounds were also pr... aid3486.table aid3486.tbin
3487 37 Title: Centrally acting serotonergic agents. Synthesis and structure-activity relationships of C-1- or C-3-substituted derivatives of 8-hydroxy-2-(di-n-propylamino)tetralin. Abstract: The synthesis and structure-activity relationships (SAR) of C-1- or C-3-substituted derivatives of 8-hydroxy-2-(di-n-propylamino)tetralin (8-OH-DPAT) are described. These analogs were synthesized via alkylation of the tetralone derivatives followed by reductive amination. All of the analogs were inactive at the dop... aid3487.table aid3487.tbin
3488 54 Title: Quantitative binding site model generation: compass applied to multiple chemotypes targeting the 5-HT1A receptor. Abstract: We present enhancements to the Compass algorithm that automatically deduce interchemotype relationships and generate predictive quantitative models of receptor binding based solely on structure-activity data. We applied the technique to a series of compounds assayed for 5-HT1A binding. A model was constructed from 20 compounds of two chemotypes and used to predict th... aid3488.table aid3488.tbin
3489 10 Tested in vitro for the inhibition of [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor, expressed in cloned CHO cells. aid3489.table aid3489.tbin
3490 3 Compound was tested for the inhibition of forskolin-stimulated adenylate cyclase at 5-hydroxytryptamine 1A receptor in guinea pig aid3490.table aid3490.tbin
3491 1 Compound was tested for the inhibition of forskolin-stimulated adenylate cyclase at 5-hydroxytryptamine 1A receptor in guinea pig; NT means not tested aid3491.table aid3491.tbin
3492 2 Title: Synthesis and serotonergic pharmacology of the enantiomers of 3-[(N-methylpyrrolidin-2-yl)methyl]-5-methoxy-1H-indole: discovery of stereogenic differentiation in the aminoethyl side chain of the neurotransmitter serotonin. aid3492.table aid3492.tbin
3493 2 Title: A-ring ortho-disubstituted aporphine derivatives as potential agonists or antagonists at serotonergic 5-HT1A receptors. Abstract: (R)- And (S)-11-hydroxy-10-methylaporphine 1 and 2 are, respectively, a potent, highly specific serotonergic (5-HT1A) agonist and antagonist. In an ongoing structure-activity study, racemates of the positional isomers 8-hydroxy-9-methyl- and 8-methyl-9-hydroxyaporphine were prepared by modifications of literature methods and were resolved. The methyl ethers of ... aid3493.table aid3493.tbin
3494 2 Title: A-ring ortho-disubstituted aporphine derivatives as potential agonists or antagonists at serotonergic 5-HT1A receptors. Abstract: (R)- And (S)-11-hydroxy-10-methylaporphine 1 and 2 are, respectively, a potent, highly specific serotonergic (5-HT1A) agonist and antagonist. In an ongoing structure-activity study, racemates of the positional isomers 8-hydroxy-9-methyl- and 8-methyl-9-hydroxyaporphine were prepared by modifications of literature methods and were resolved. The methyl ethers of ... aid3494.table aid3494.tbin
3495 3 Title: A-ring ortho-disubstituted aporphine derivatives as potential agonists or antagonists at serotonergic 5-HT1A receptors. Abstract: (R)- And (S)-11-hydroxy-10-methylaporphine 1 and 2 are, respectively, a potent, highly specific serotonergic (5-HT1A) agonist and antagonist. In an ongoing structure-activity study, racemates of the positional isomers 8-hydroxy-9-methyl- and 8-methyl-9-hydroxyaporphine were prepared by modifications of literature methods and were resolved. The methyl ethers of ... aid3495.table aid3495.tbin
3496 2 Title: A-ring ortho-disubstituted aporphine derivatives as potential agonists or antagonists at serotonergic 5-HT1A receptors. Abstract: (R)- And (S)-11-hydroxy-10-methylaporphine 1 and 2 are, respectively, a potent, highly specific serotonergic (5-HT1A) agonist and antagonist. In an ongoing structure-activity study, racemates of the positional isomers 8-hydroxy-9-methyl- and 8-methyl-9-hydroxyaporphine were prepared by modifications of literature methods and were resolved. The methyl ethers of ... aid3496.table aid3496.tbin
3497 1 Title: A-ring ortho-disubstituted aporphine derivatives as potential agonists or antagonists at serotonergic 5-HT1A receptors. Abstract: (R)- And (S)-11-hydroxy-10-methylaporphine 1 and 2 are, respectively, a potent, highly specific serotonergic (5-HT1A) agonist and antagonist. In an ongoing structure-activity study, racemates of the positional isomers 8-hydroxy-9-methyl- and 8-methyl-9-hydroxyaporphine were prepared by modifications of literature methods and were resolved. The methyl ethers of ... aid3497.table aid3497.tbin
3498 1 Title: A-ring ortho-disubstituted aporphine derivatives as potential agonists or antagonists at serotonergic 5-HT1A receptors. Abstract: (R)- And (S)-11-hydroxy-10-methylaporphine 1 and 2 are, respectively, a potent, highly specific serotonergic (5-HT1A) agonist and antagonist. In an ongoing structure-activity study, racemates of the positional isomers 8-hydroxy-9-methyl- and 8-methyl-9-hydroxyaporphine were prepared by modifications of literature methods and were resolved. The methyl ethers of ... aid3498.table aid3498.tbin
3499 4 Title: Synthesis and serotonergic pharmacology of the enantiomers of 3-[(N-methylpyrrolidin-2-yl)methyl]-5-methoxy-1H-indole: discovery of stereogenic differentiation in the aminoethyl side chain of the neurotransmitter serotonin. aid3499.table aid3499.tbin
3500 3 Title: New antihistamines: substituted piperazine and piperidine derivatives as novel H1-antagonists. Abstract: Structural manipulation of polycyclic piperazinyl imide serotonergic agents led to the synthesis of compound 8, 2-[4-[4-[bis(4-fluorophenyl)methyl]-1-piperazinyl]-4, 4a,5,5a,6,6a-hexahydro-4,6-ethenocycloprop[f]isoindole-1,3(2H,3 aH)-dione, which demonstrated good H1-antagonist activity. Substitution of a xanthinyl moiety for the polycyclic imide group led to the identification of nove... aid3500.table aid3500.tbin
3501 1 Title: N-[(1-butyl-4-piperidinyl)methyl]-3,4dihydro-2H-[1,3]oxazino[3,2- a]indole10-carboxamide hydrochloride: the first potent and selective 5-HT4 receptor antagonist amide with oral activity. aid3501.table aid3501.tbin
3502 1 Title: 3-(1,2,5,6-Tetrahydropyrid-4-yl)pyrrolo[3,2-b]pyrid-5-one: a potent and selective serotonin (5-HT1B) agonist and rotationally restricted phenolic analogue of 5-methoxy-3-(1,2,5,6-tetrahydropyrid-4-yl)indole. Abstract: The synthesis and in vitro and in vivo characteristics of 3-(1,2,5,6-tetrahydropyrid-4-yl)pyrrolo[3,2-b]pyrid-5-one (1, CP-93,129) are described. This rotationally restricted phenolic analogue of RU-24,969 is a potent (15 nM) and selective (200x vs the 5-HT1A receptor, 150x ... aid3502.table aid3502.tbin
3503 1 Title: 3-(1,2,5,6-Tetrahydropyrid-4-yl)pyrrolo[3,2-b]pyrid-5-one: a potent and selective serotonin (5-HT1B) agonist and rotationally restricted phenolic analogue of 5-methoxy-3-(1,2,5,6-tetrahydropyrid-4-yl)indole. Abstract: The synthesis and in vitro and in vivo characteristics of 3-(1,2,5,6-tetrahydropyrid-4-yl)pyrrolo[3,2-b]pyrid-5-one (1, CP-93,129) are described. This rotationally restricted phenolic analogue of RU-24,969 is a potent (15 nM) and selective (200x vs the 5-HT1A receptor, 150x ... aid3503.table aid3503.tbin
3504 2 Title: (S)- and (R)-8-(di-n-propylamino)-6,7,8,9-tetrahydro-3H-benz[e]indole-1- carbaldehyde: a new class of orally active 5-HT1A-receptor agonists. Abstract: The enantiomers of 6,7,8,9-tetrahydro-N,N-di-n-propyl-3H-benz[e]indol-8- amine (S-(-)-2b and R-(+)-2b) and their corresponding 1-formyl analogs (S-(-)-6 and R-(+)-6) were prepared and evaluated pharmacologically for serotonergic and dopaminergic activity. The introduction of a formyl group in the 1-position shifted the pharmacological prof... aid3504.table aid3504.tbin
3505 2 Title: Synthesis, screening, and molecular modeling of new potent and selective antagonists at the alpha 1d adrenergic receptor. Abstract: In the present study, more than 75 compounds structurally related to BMY 7378 have been designed and synthesized. Structural variations of each part of the reference molecule have been introduced, obtaining highly selective ligands for the alpha(1d) adrenergic receptor. The molecular determinants for selectivity at this receptor are essentially held by the ph... aid3505.table aid3505.tbin
3506 1 Compound was tested for its ability to inhibit forskolin-stimulated activity of adenylate cyclase coupled to human 5-HT 1A receptor in HeLa cells; value ranges from 85-370 aid3506.table aid3506.tbin
3507 1 Compound was tested for its ability to inhibit forskolin-stimulated activity of adenylate cyclase coupled to human 5-hydroxytryptamine 1A receptor in HeLa cells; value ranges from 95-320 aid3507.table aid3507.tbin
3508 6 Title: Effect of ring fluorination on the pharmacology of hallucinogenic tryptamines. Abstract: A series of fluorinated analogues of the hallucinogenic tryptamines N,N-diethyltryptamine (DET), 4-hydroxy-N,N-dimethyltryptamine (4-OH-DMT, psilocin), and 5-methoxy-DMT was synthesized to investigate possible explanations for the inactivity of 6-fluoro-DET as a hallucinogen and to determine the effects of fluorination on the molecular recognition and activation of these compounds at serotonin recepto... aid3508.table aid3508.tbin
3509 1 Title: Studies toward the discovery of the next generation of antidepressants. 3. Dual 5-HT1A and serotonin transporter affinity within a class of N-aryloxyethylindolylalkylamines. Abstract: N-aryloxylethylindolealkylamines (5) having dual 5-HT transporter and 5-HT(1A) affinity are described. These compounds represent truncated analogues of our previously reported piperidinyl derivatives (3). Compounds in this investigation were found to have more similar affinities and functional activities for... aid3509.table aid3509.tbin
3510 19 Title: Studies toward the discovery of the next generation of antidepressants. 3. Dual 5-HT1A and serotonin transporter affinity within a class of N-aryloxyethylindolylalkylamines. Abstract: N-aryloxylethylindolealkylamines (5) having dual 5-HT transporter and 5-HT(1A) affinity are described. These compounds represent truncated analogues of our previously reported piperidinyl derivatives (3). Compounds in this investigation were found to have more similar affinities and functional activities for... aid3510.table aid3510.tbin
3511 1 Title: Studies toward the discovery of the next generation of antidepressants. 3. Dual 5-HT1A and serotonin transporter affinity within a class of N-aryloxyethylindolylalkylamines. Abstract: N-aryloxylethylindolealkylamines (5) having dual 5-HT transporter and 5-HT(1A) affinity are described. These compounds represent truncated analogues of our previously reported piperidinyl derivatives (3). Compounds in this investigation were found to have more similar affinities and functional activities for... aid3511.table aid3511.tbin
3512 5 Title: Studies toward the discovery of the next generation of antidepressants. 3. Dual 5-HT1A and serotonin transporter affinity within a class of N-aryloxyethylindolylalkylamines. Abstract: N-aryloxylethylindolealkylamines (5) having dual 5-HT transporter and 5-HT(1A) affinity are described. These compounds represent truncated analogues of our previously reported piperidinyl derivatives (3). Compounds in this investigation were found to have more similar affinities and functional activities for... aid3512.table aid3512.tbin
3513 8 Title: Studies toward the discovery of the next generation of antidepressants. 3. Dual 5-HT1A and serotonin transporter affinity within a class of N-aryloxyethylindolylalkylamines. Abstract: N-aryloxylethylindolealkylamines (5) having dual 5-HT transporter and 5-HT(1A) affinity are described. These compounds represent truncated analogues of our previously reported piperidinyl derivatives (3). Compounds in this investigation were found to have more similar affinities and functional activities for... aid3513.table aid3513.tbin
3514 9 Title: Studies toward the discovery of the next generation of antidepressants. 3. Dual 5-HT1A and serotonin transporter affinity within a class of N-aryloxyethylindolylalkylamines. Abstract: N-aryloxylethylindolealkylamines (5) having dual 5-HT transporter and 5-HT(1A) affinity are described. These compounds represent truncated analogues of our previously reported piperidinyl derivatives (3). Compounds in this investigation were found to have more similar affinities and functional activities for... aid3514.table aid3514.tbin
3515 4 Title: Studies toward the discovery of the next generation of antidepressants. 3. Dual 5-HT1A and serotonin transporter affinity within a class of N-aryloxyethylindolylalkylamines. Abstract: N-aryloxylethylindolealkylamines (5) having dual 5-HT transporter and 5-HT(1A) affinity are described. These compounds represent truncated analogues of our previously reported piperidinyl derivatives (3). Compounds in this investigation were found to have more similar affinities and functional activities for... aid3515.table aid3515.tbin
3516 2 Title: 5-HT1A-versus D2-receptor selectivity of flesinoxan and analogous N4-substituted N1-arylpiperazines. Abstract: We investigated the structural requirements for high 5-HT1A affinity of the agonist flesinoxan and its selectivity versus D2 receptors. For this purpose a series of arylpiperazine congeners of flesinoxan were synthesized and evaluated for their ability to displace [3H]-8-OH-DPAT and [3H]spiperone from their specific binding sites in rat frontal cortex homogenates and rat striatum... aid3516.table aid3516.tbin
3517 10 Title: Parallel synthesis of 3-aryloxy-2-propanolamines and evaluation as dual affinity 5-HT(1A) and 5-HT re-uptake ligands. Abstract: A solution phase synthesis for the preparation of 3-aryloxy-2-propanolamine libraries has been developed. This resulted in the identification of 5 as a ligand with dual affinity for 5-HT1A and serotonin reuptake receptors which shows excellent pharmacokinetic parameters. aid3517.table aid3517.tbin
3518 1 Title: Parallel synthesis of 3-aryloxy-2-propanolamines and evaluation as dual affinity 5-HT(1A) and 5-HT re-uptake ligands. Abstract: A solution phase synthesis for the preparation of 3-aryloxy-2-propanolamine libraries has been developed. This resulted in the identification of 5 as a ligand with dual affinity for 5-HT1A and serotonin reuptake receptors which shows excellent pharmacokinetic parameters. aid3518.table aid3518.tbin
3519 6 Title: A novel and selective 5-HT2 receptor agonist with ocular hypotensive activity: (S)-(+)-1-(2-aminopropyl)-8,9-dihydropyrano[3,2-e]indole. Abstract: Serotonin 5-HT2 receptor agonists have recently been shown to be effective in lowering intraocular pressure in nonhuman primates and represent a potential new class of antiglaucoma agents. As part of an effort to identify new selective agonists at this receptor, we have found that (S)-(+)-1-(2-aminopropyl)-8,9-dihydropyrano[3,2-e]indole (AL-373... aid3519.table aid3519.tbin
3520 5 Title: A novel and selective 5-HT2 receptor agonist with ocular hypotensive activity: (S)-(+)-1-(2-aminopropyl)-8,9-dihydropyrano[3,2-e]indole. Abstract: Serotonin 5-HT2 receptor agonists have recently been shown to be effective in lowering intraocular pressure in nonhuman primates and represent a potential new class of antiglaucoma agents. As part of an effort to identify new selective agonists at this receptor, we have found that (S)-(+)-1-(2-aminopropyl)-8,9-dihydropyrano[3,2-e]indole (AL-373... aid3520.table aid3520.tbin
3521 1 Title: WB 4101-related compounds. 2. Role of the ethylene chain separating amine and phenoxy units on the affinity for alpha(1)-adrenoreceptor subtypes and 5-HT(1A) receptors. Abstract: WB 4101 (1)-related benzodioxanes were synthesized by replacing the ethylene chain separating the amine and the phenoxy units of 1 with a cyclopentanol moiety, a feature of 6, 7-dihydro-5-[[(cis-2-hydroxy-trans-3-phenoxycyclopentyl)amino]meth yl] -2-methylbenzo[b]thiophen-4(5H)-one that was reported to display an... aid3521.table aid3521.tbin
3522 1 Title: WB 4101-related compounds. 2. Role of the ethylene chain separating amine and phenoxy units on the affinity for alpha(1)-adrenoreceptor subtypes and 5-HT(1A) receptors. Abstract: WB 4101 (1)-related benzodioxanes were synthesized by replacing the ethylene chain separating the amine and the phenoxy units of 1 with a cyclopentanol moiety, a feature of 6, 7-dihydro-5-[[(cis-2-hydroxy-trans-3-phenoxycyclopentyl)amino]meth yl] -2-methylbenzo[b]thiophen-4(5H)-one that was reported to display an... aid3522.table aid3522.tbin
3523 3 Title: Phenylpiperazinylalkylamino substituted pyridazinones as potent alpha(1) adrenoceptor antagonists. Abstract: QSAR models have been used for designing a series of compounds characterized by a N-phenylpiperazinylalkylamino moiety linked to substituted pyridazinones, which have been synthesized. Measurements of the binding affinities of the new compounds toward the alpha(1a)-, alpha(1b)-, and alpha(1d)-AR cloned subtypes as well as the 5-HT(1A) receptor have been done validating, at least in... aid3523.table aid3523.tbin
3524 4 Title: Functional characteristics of a series of N4-substituted 1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazines as 5-HT1A receptor ligands. Structure-activity relationships. Abstract: The agonistic/antagonistic profile of a series of 10 N4-substituted 1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazines is evaluated in the in vitro adenylyl cyclase assay. The profile is severely affected by the characteristics of the N4-substituents ranging from full agonism (benzamidoethyl derivative 1), mixed agoni... aid3524.table aid3524.tbin
3525 10 Title: Functional characteristics of a series of N4-substituted 1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazines as 5-HT1A receptor ligands. Structure-activity relationships. Abstract: The agonistic/antagonistic profile of a series of 10 N4-substituted 1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazines is evaluated in the in vitro adenylyl cyclase assay. The profile is severely affected by the characteristics of the N4-substituents ranging from full agonism (benzamidoethyl derivative 1), mixed agoni... aid3525.table aid3525.tbin
3526 1 Title: Functional characteristics of a series of N4-substituted 1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazines as 5-HT1A receptor ligands. Structure-activity relationships. Abstract: The agonistic/antagonistic profile of a series of 10 N4-substituted 1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazines is evaluated in the in vitro adenylyl cyclase assay. The profile is severely affected by the characteristics of the N4-substituents ranging from full agonism (benzamidoethyl derivative 1), mixed agoni... aid3526.table aid3526.tbin
3527 9 Title: Functional characteristics of a series of N4-substituted 1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazines as 5-HT1A receptor ligands. Structure-activity relationships. Abstract: The agonistic/antagonistic profile of a series of 10 N4-substituted 1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazines is evaluated in the in vitro adenylyl cyclase assay. The profile is severely affected by the characteristics of the N4-substituents ranging from full agonism (benzamidoethyl derivative 1), mixed agoni... aid3527.table aid3527.tbin
3528 3 Title: Functional characteristics of a series of N4-substituted 1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazines as 5-HT1A receptor ligands. Structure-activity relationships. Abstract: The agonistic/antagonistic profile of a series of 10 N4-substituted 1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazines is evaluated in the in vitro adenylyl cyclase assay. The profile is severely affected by the characteristics of the N4-substituents ranging from full agonism (benzamidoethyl derivative 1), mixed agoni... aid3528.table aid3528.tbin
3529 1 Title: Functional characteristics of a series of N4-substituted 1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazines as 5-HT1A receptor ligands. Structure-activity relationships. Abstract: The agonistic/antagonistic profile of a series of 10 N4-substituted 1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazines is evaluated in the in vitro adenylyl cyclase assay. The profile is severely affected by the characteristics of the N4-substituents ranging from full agonism (benzamidoethyl derivative 1), mixed agoni... aid3529.table aid3529.tbin
3530 9 Title: Functional characteristics of a series of N4-substituted 1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazines as 5-HT1A receptor ligands. Structure-activity relationships. Abstract: The agonistic/antagonistic profile of a series of 10 N4-substituted 1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazines is evaluated in the in vitro adenylyl cyclase assay. The profile is severely affected by the characteristics of the N4-substituents ranging from full agonism (benzamidoethyl derivative 1), mixed agoni... aid3530.table aid3530.tbin
3531 1 Title: Functional characteristics of a series of N4-substituted 1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazines as 5-HT1A receptor ligands. Structure-activity relationships. Abstract: The agonistic/antagonistic profile of a series of 10 N4-substituted 1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazines is evaluated in the in vitro adenylyl cyclase assay. The profile is severely affected by the characteristics of the N4-substituents ranging from full agonism (benzamidoethyl derivative 1), mixed agoni... aid3531.table aid3531.tbin
3532 9 Title: Functional characteristics of a series of N4-substituted 1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazines as 5-HT1A receptor ligands. Structure-activity relationships. Abstract: The agonistic/antagonistic profile of a series of 10 N4-substituted 1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazines is evaluated in the in vitro adenylyl cyclase assay. The profile is severely affected by the characteristics of the N4-substituents ranging from full agonism (benzamidoethyl derivative 1), mixed agoni... aid3532.table aid3532.tbin
3533 1 Title: Parallel synthesis of 3-aryloxy-2-propanolamines and evaluation as dual affinity 5-HT(1A) and 5-HT re-uptake ligands. Abstract: A solution phase synthesis for the preparation of 3-aryloxy-2-propanolamine libraries has been developed. This resulted in the identification of 5 as a ligand with dual affinity for 5-HT1A and serotonin reuptake receptors which shows excellent pharmacokinetic parameters. aid3533.table aid3533.tbin
3534 8 Title: Studies toward the discovery of the next generation of antidepressants. Part 2: incorporating a 5-HT(1A) antagonist component into a class of serotonin reuptake inhibitors. Abstract: The design and synthesis of a novel series of indole derivatives (9) having dual 5-HT transporter reuptake and 5-HT(1A) antagonist activity are described. aid3534.table aid3534.tbin
3535 1 Title: Studies toward the discovery of the next generation of antidepressants. Part 2: incorporating a 5-HT(1A) antagonist component into a class of serotonin reuptake inhibitors. Abstract: The design and synthesis of a novel series of indole derivatives (9) having dual 5-HT transporter reuptake and 5-HT(1A) antagonist activity are described. aid3535.table aid3535.tbin
3536 1 Title: Studies toward the discovery of the next generation of antidepressants. Part 2: incorporating a 5-HT(1A) antagonist component into a class of serotonin reuptake inhibitors. Abstract: The design and synthesis of a novel series of indole derivatives (9) having dual 5-HT transporter reuptake and 5-HT(1A) antagonist activity are described. aid3536.table aid3536.tbin
3537 1 Title: Studies toward the discovery of the next generation of antidepressants. 3. Dual 5-HT1A and serotonin transporter affinity within a class of N-aryloxyethylindolylalkylamines. Abstract: N-aryloxylethylindolealkylamines (5) having dual 5-HT transporter and 5-HT(1A) affinity are described. These compounds represent truncated analogues of our previously reported piperidinyl derivatives (3). Compounds in this investigation were found to have more similar affinities and functional activities for... aid3537.table aid3537.tbin
3538 1 Title: Studies toward the discovery of the next generation of antidepressants. 3. Dual 5-HT1A and serotonin transporter affinity within a class of N-aryloxyethylindolylalkylamines. Abstract: N-aryloxylethylindolealkylamines (5) having dual 5-HT transporter and 5-HT(1A) affinity are described. These compounds represent truncated analogues of our previously reported piperidinyl derivatives (3). Compounds in this investigation were found to have more similar affinities and functional activities for... aid3538.table aid3538.tbin
3539 1 Title: Studies toward the discovery of the next generation of antidepressants. 3. Dual 5-HT1A and serotonin transporter affinity within a class of N-aryloxyethylindolylalkylamines. Abstract: N-aryloxylethylindolealkylamines (5) having dual 5-HT transporter and 5-HT(1A) affinity are described. These compounds represent truncated analogues of our previously reported piperidinyl derivatives (3). Compounds in this investigation were found to have more similar affinities and functional activities for... aid3539.table aid3539.tbin
3540 16 Title: Studies toward the discovery of the next generation of antidepressants. 3. Dual 5-HT1A and serotonin transporter affinity within a class of N-aryloxyethylindolylalkylamines. Abstract: N-aryloxylethylindolealkylamines (5) having dual 5-HT transporter and 5-HT(1A) affinity are described. These compounds represent truncated analogues of our previously reported piperidinyl derivatives (3). Compounds in this investigation were found to have more similar affinities and functional activities for... aid3540.table aid3540.tbin
3541 7 Title: Studies toward the discovery of the next generation of antidepressants. 3. Dual 5-HT1A and serotonin transporter affinity within a class of N-aryloxyethylindolylalkylamines. Abstract: N-aryloxylethylindolealkylamines (5) having dual 5-HT transporter and 5-HT(1A) affinity are described. These compounds represent truncated analogues of our previously reported piperidinyl derivatives (3). Compounds in this investigation were found to have more similar affinities and functional activities for... aid3541.table aid3541.tbin
3542 5 Title: Studies toward the discovery of the next generation of antidepressants. 3. Dual 5-HT1A and serotonin transporter affinity within a class of N-aryloxyethylindolylalkylamines. Abstract: N-aryloxylethylindolealkylamines (5) having dual 5-HT transporter and 5-HT(1A) affinity are described. These compounds represent truncated analogues of our previously reported piperidinyl derivatives (3). Compounds in this investigation were found to have more similar affinities and functional activities for... aid3542.table aid3542.tbin
3543 2 Title: Studies toward the discovery of the next generation of antidepressants. 3. Dual 5-HT1A and serotonin transporter affinity within a class of N-aryloxyethylindolylalkylamines. Abstract: N-aryloxylethylindolealkylamines (5) having dual 5-HT transporter and 5-HT(1A) affinity are described. These compounds represent truncated analogues of our previously reported piperidinyl derivatives (3). Compounds in this investigation were found to have more similar affinities and functional activities for... aid3543.table aid3543.tbin
3544 1 Title: Studies toward the discovery of the next generation of antidepressants. 3. Dual 5-HT1A and serotonin transporter affinity within a class of N-aryloxyethylindolylalkylamines. Abstract: N-aryloxylethylindolealkylamines (5) having dual 5-HT transporter and 5-HT(1A) affinity are described. These compounds represent truncated analogues of our previously reported piperidinyl derivatives (3). Compounds in this investigation were found to have more similar affinities and functional activities for... aid3544.table aid3544.tbin
3545 22 Title: Studies toward the discovery of the next generation of antidepressants. 3. Dual 5-HT1A and serotonin transporter affinity within a class of N-aryloxyethylindolylalkylamines. Abstract: N-aryloxylethylindolealkylamines (5) having dual 5-HT transporter and 5-HT(1A) affinity are described. These compounds represent truncated analogues of our previously reported piperidinyl derivatives (3). Compounds in this investigation were found to have more similar affinities and functional activities for... aid3545.table aid3545.tbin
3546 1 Title: Studies toward the discovery of the next generation of antidepressants. 3. Dual 5-HT1A and serotonin transporter affinity within a class of N-aryloxyethylindolylalkylamines. Abstract: N-aryloxylethylindolealkylamines (5) having dual 5-HT transporter and 5-HT(1A) affinity are described. These compounds represent truncated analogues of our previously reported piperidinyl derivatives (3). Compounds in this investigation were found to have more similar affinities and functional activities for... aid3546.table aid3546.tbin
3547 4 Title: Studies toward the discovery of the next generation of antidepressants. 3. Dual 5-HT1A and serotonin transporter affinity within a class of N-aryloxyethylindolylalkylamines. Abstract: N-aryloxylethylindolealkylamines (5) having dual 5-HT transporter and 5-HT(1A) affinity are described. These compounds represent truncated analogues of our previously reported piperidinyl derivatives (3). Compounds in this investigation were found to have more similar affinities and functional activities for... aid3547.table aid3547.tbin
3548 1 Title: Studies toward the discovery of the next generation of antidepressants. 3. Dual 5-HT1A and serotonin transporter affinity within a class of N-aryloxyethylindolylalkylamines. Abstract: N-aryloxylethylindolealkylamines (5) having dual 5-HT transporter and 5-HT(1A) affinity are described. These compounds represent truncated analogues of our previously reported piperidinyl derivatives (3). Compounds in this investigation were found to have more similar affinities and functional activities for... aid3548.table aid3548.tbin
3549 1 Title: Modulation of selective serotonin reuptake inhibitor and 5-HT1A antagonist activity in 8-aza-bicyclo[3.2.1]octane derivatives of 2,3-dihydro-1,4-benzodioxane. Abstract: 2,3-Dihydro-1,4-benzodioxanes with aryl 8-aza-bicyclo[3.2.1]oct-3-ene attachments 2 produce compounds with potent 5-HT-T affinity, and weak 5-HT(1A) affinity and alpha(1) affinity. This compares with 2,3-dihydro-1,4-benzodioxanes containing 8-aza-bicyclo[3.2.1] octan-3-ol attachments 4 which possess potent 5-HT(1A) affinit... aid3549.table aid3549.tbin
3550 2 Title: Modulation of selective serotonin reuptake inhibitor and 5-HT1A antagonist activity in 8-aza-bicyclo[3.2.1]octane derivatives of 2,3-dihydro-1,4-benzodioxane. Abstract: 2,3-Dihydro-1,4-benzodioxanes with aryl 8-aza-bicyclo[3.2.1]oct-3-ene attachments 2 produce compounds with potent 5-HT-T affinity, and weak 5-HT(1A) affinity and alpha(1) affinity. This compares with 2,3-dihydro-1,4-benzodioxanes containing 8-aza-bicyclo[3.2.1] octan-3-ol attachments 4 which possess potent 5-HT(1A) affinit... aid3550.table aid3550.tbin
3551 2 Title: Modulation of selective serotonin reuptake inhibitor and 5-HT1A antagonist activity in 8-aza-bicyclo[3.2.1]octane derivatives of 2,3-dihydro-1,4-benzodioxane. Abstract: 2,3-Dihydro-1,4-benzodioxanes with aryl 8-aza-bicyclo[3.2.1]oct-3-ene attachments 2 produce compounds with potent 5-HT-T affinity, and weak 5-HT(1A) affinity and alpha(1) affinity. This compares with 2,3-dihydro-1,4-benzodioxanes containing 8-aza-bicyclo[3.2.1] octan-3-ol attachments 4 which possess potent 5-HT(1A) affinit... aid3551.table aid3551.tbin
3552 3 Title: A novel ergot alkaloid as a 5-HT(1A) inhibitor produced by Dicyma sp. Abstract: In the course of a search for small-molecule inhibitors of 5-hydroxytryptamine receptors we have identified a novel ergoline derivative (1) from the fungal culture of Dicyma sp. This compound has a pK(i) of 10.2 versus the 5-hydroxytryptamine(1A) receptor subtype. The structure was elucidated by extensive NMR spectroscopy and mass spectrometry. aid3552.table aid3552.tbin
3553 14 Title: Advances toward new antidepressants beyond SSRIs: 1-aryloxy-3-piperidinylpropan-2-ols with dual 5-HT1A receptor antagonism/SSRI activities. Part 4. Abstract: A series of 1-(1H-indol-4-yloxy)-3-(4-arylpiperidinyl)propan-2-ols possessing potent dual 5-HT(1A) receptor antagonism and serotonin reuptake inhibition was discovered. The fused aryl ring moiety contributed to the robust dual activities irrespective of the regiochemistry associated with its connectivity to the piperidine central rin... aid3553.table aid3553.tbin
3554 1 Title: Advances toward new antidepressants beyond SSRIs: 1-aryloxy-3-piperidinylpropan-2-ols with dual 5-HT1A receptor antagonism/SSRI activities. Part 4. Abstract: A series of 1-(1H-indol-4-yloxy)-3-(4-arylpiperidinyl)propan-2-ols possessing potent dual 5-HT(1A) receptor antagonism and serotonin reuptake inhibition was discovered. The fused aryl ring moiety contributed to the robust dual activities irrespective of the regiochemistry associated with its connectivity to the piperidine central rin... aid3554.table aid3554.tbin
3555 8 Title: Studies toward the discovery of the next generation of antidepressants. Part 2: incorporating a 5-HT(1A) antagonist component into a class of serotonin reuptake inhibitors. Abstract: The design and synthesis of a novel series of indole derivatives (9) having dual 5-HT transporter reuptake and 5-HT(1A) antagonist activity are described. aid3555.table aid3555.tbin
3556 2 Title: Studies toward the discovery of the next generation of antidepressants. Part 2: incorporating a 5-HT(1A) antagonist component into a class of serotonin reuptake inhibitors. Abstract: The design and synthesis of a novel series of indole derivatives (9) having dual 5-HT transporter reuptake and 5-HT(1A) antagonist activity are described. aid3556.table aid3556.tbin
3557 1 Title: Advances toward new antidepressants beyond SSRIs: 1-aryloxy-3-piperidinylpropan-2-ols with dual 5-HT1A receptor antagonism/SSRI activities. Part 1. Abstract: A series of 1-aryloxy-3-piperidinylpropan-2-ols possessing potent dual 5-HT(1A) receptor antagonism and serotonin reuptake inhibition was discovered. 1-(1H-Indol-4-yloxy)-3-(4-benzo[b]thiophen-2-ylpiperidinyl)propan-2-ols exhibited selective and high affinity at the 5-HT(1A) receptor and serotonin reuptake inhibition at nanomolar con... aid3557.table aid3557.tbin
3558 15 Title: Advances toward new antidepressants beyond SSRIs: 1-aryloxy-3-piperidinylpropan-2-ols with dual 5-HT1A receptor antagonism/SSRI activities. Part 1. Abstract: A series of 1-aryloxy-3-piperidinylpropan-2-ols possessing potent dual 5-HT(1A) receptor antagonism and serotonin reuptake inhibition was discovered. 1-(1H-Indol-4-yloxy)-3-(4-benzo[b]thiophen-2-ylpiperidinyl)propan-2-ols exhibited selective and high affinity at the 5-HT(1A) receptor and serotonin reuptake inhibition at nanomolar con... aid3558.table aid3558.tbin
3559 8 Title: Advances toward new antidepressants beyond SSRIs: 1-aryloxy-3-piperidinylpropan-2-ols with dual 5-HT1A receptor antagonism/SSRI activities. Part 1. Abstract: A series of 1-aryloxy-3-piperidinylpropan-2-ols possessing potent dual 5-HT(1A) receptor antagonism and serotonin reuptake inhibition was discovered. 1-(1H-Indol-4-yloxy)-3-(4-benzo[b]thiophen-2-ylpiperidinyl)propan-2-ols exhibited selective and high affinity at the 5-HT(1A) receptor and serotonin reuptake inhibition at nanomolar con... aid3559.table aid3559.tbin
3560 1 Title: Advances toward new antidepressants beyond SSRIs: 1-aryloxy-3-piperidinylpropan-2-ols with dual 5-HT1A receptor antagonism/SSRI activities. Part 1. Abstract: A series of 1-aryloxy-3-piperidinylpropan-2-ols possessing potent dual 5-HT(1A) receptor antagonism and serotonin reuptake inhibition was discovered. 1-(1H-Indol-4-yloxy)-3-(4-benzo[b]thiophen-2-ylpiperidinyl)propan-2-ols exhibited selective and high affinity at the 5-HT(1A) receptor and serotonin reuptake inhibition at nanomolar con... aid3560.table aid3560.tbin
3561 21 Title: Advances toward new antidepressants beyond SSRIs: 1-aryloxy-3-piperidinylpropan-2-ols with dual 5-HT1A receptor antagonism/SSRI activities. Part 3. Abstract: A series of 1-aryloxy-3-piperidinylpropan-2-ols possessing potent dual 5-HT(1A) receptor antagonism and serotonin reuptake inhibition was discovered. Modification of potential metabolic sites of 1-(1H-indol-4-yloxy)-3-(4-benzo[b]thiophen-2-ylpiperidinyl)propan-2-ols further improved the in vitro binding affinities and functional anta... aid3561.table aid3561.tbin
3562 2 Title: Advances toward new antidepressants beyond SSRIs: 1-aryloxy-3-piperidinylpropan-2-ols with dual 5-HT1A receptor antagonism/SSRI activities. Part 3. Abstract: A series of 1-aryloxy-3-piperidinylpropan-2-ols possessing potent dual 5-HT(1A) receptor antagonism and serotonin reuptake inhibition was discovered. Modification of potential metabolic sites of 1-(1H-indol-4-yloxy)-3-(4-benzo[b]thiophen-2-ylpiperidinyl)propan-2-ols further improved the in vitro binding affinities and functional anta... aid3562.table aid3562.tbin
3563 10 Title: Advances toward new antidepressants beyond SSRIs: 1-aryloxy-3-piperidinylpropan-2-ols with dual 5-HT1A receptor antagonism/SSRI activities. Part 3. Abstract: A series of 1-aryloxy-3-piperidinylpropan-2-ols possessing potent dual 5-HT(1A) receptor antagonism and serotonin reuptake inhibition was discovered. Modification of potential metabolic sites of 1-(1H-indol-4-yloxy)-3-(4-benzo[b]thiophen-2-ylpiperidinyl)propan-2-ols further improved the in vitro binding affinities and functional anta... aid3563.table aid3563.tbin
3564 8 Title: trans-4-[4-(Methoxyphenyl)cyclohexyl]-1-arylpiperazines: a new class of potent and selective 5-HT(1A) receptor ligands as conformationally constrained analogues of 4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-1-arylpiperazines. Abstract: The present paper concerns the influence of conformational parameters on the recognition by rat 5-HT1A receptors of derivatives 4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-1-(2-pyridinyl)piperazine (1a) and 3-(5-methoxy-1,2,3,4-... aid3564.table aid3564.tbin
3565 19 Title: Advances Toward new antidepressants beyond SSRIs: 1-aryloxy-3-piperidinylpropan-2-ols with dual 5-HT(1A) receptor antagonism/SSRI activities. Part 2. Abstract: Potent 5-HT1A/SSRIs at low nanomolar and subnanomolar concentrations were identified in a series of 1-(1H-indol-4-yloxy)-3-(4-benzo[b]thiophen-2-ylpiperidinyl)propan-2-ols. Incorporation of an alpha-Me group in the piperidine ring with its specific stereochemistry enhanced binding affinity at the 5-HT reuptake site and in vitro 5-H... aid3565.table aid3565.tbin
3566 5 Title: Advances Toward new antidepressants beyond SSRIs: 1-aryloxy-3-piperidinylpropan-2-ols with dual 5-HT(1A) receptor antagonism/SSRI activities. Part 2. Abstract: Potent 5-HT1A/SSRIs at low nanomolar and subnanomolar concentrations were identified in a series of 1-(1H-indol-4-yloxy)-3-(4-benzo[b]thiophen-2-ylpiperidinyl)propan-2-ols. Incorporation of an alpha-Me group in the piperidine ring with its specific stereochemistry enhanced binding affinity at the 5-HT reuptake site and in vitro 5-H... aid3566.table aid3566.tbin
3567 1 Title: Synthesis and pharmacological characterization of novel 6-fluorochroman derivatives as potential 5-HT1A receptor antagonists. Abstract: A series of novel 6-fluorochroman derivatives was prepared and evaluated as antagonists for the 5-HT1A receptor. N-2-[[(6-Fluorochroman-8-yl)oxy]ethyl]-4-(4-methoxyphenyl)butylami ne (3; J. Med. Chem. 1997, 40, 1252-1257) was chosen as a lead, and structural modifications were done on the aliphatic portion of the chroman ring, the tether linking the middl... aid3567.table aid3567.tbin
3568 32 Title: Synthesis and pharmacological characterization of novel 6-fluorochroman derivatives as potential 5-HT1A receptor antagonists. Abstract: A series of novel 6-fluorochroman derivatives was prepared and evaluated as antagonists for the 5-HT1A receptor. N-2-[[(6-Fluorochroman-8-yl)oxy]ethyl]-4-(4-methoxyphenyl)butylami ne (3; J. Med. Chem. 1997, 40, 1252-1257) was chosen as a lead, and structural modifications were done on the aliphatic portion of the chroman ring, the tether linking the middl... aid3568.table aid3568.tbin
3569 1 Title: Synthesis and serotonergic activity of 3-[2-(pyrrolidin-1-yl)ethyl]indoles: potent agonists for the h5-HT1D receptor with high selectivity over the h5-HT1B receptor. Abstract: The design, synthesis, and biological evaluation of a novel series of 3-[2-(pyrrolidin-1-yl)ethyl]indoles with excellent selectivity for h5-HT1D (formerly 5-HT1Dalpha) receptors over h5-HT1B (formerly 5-HT1Dbeta) receptors are described. Clinically effective antimigraine drugs such as Sumatriptan show little selecti... aid3569.table aid3569.tbin
3570 3 Title: Synthesis and serotonergic activity of 3-[2-(pyrrolidin-1-yl)ethyl]indoles: potent agonists for the h5-HT1D receptor with high selectivity over the h5-HT1B receptor. Abstract: The design, synthesis, and biological evaluation of a novel series of 3-[2-(pyrrolidin-1-yl)ethyl]indoles with excellent selectivity for h5-HT1D (formerly 5-HT1Dalpha) receptors over h5-HT1B (formerly 5-HT1Dbeta) receptors are described. Clinically effective antimigraine drugs such as Sumatriptan show little selecti... aid3570.table aid3570.tbin
3571 3 Title: Modulation of selective serotonin reuptake inhibitor and 5-HT1A antagonist activity in 8-aza-bicyclo[3.2.1]octane derivatives of 2,3-dihydro-1,4-benzodioxane. Abstract: 2,3-Dihydro-1,4-benzodioxanes with aryl 8-aza-bicyclo[3.2.1]oct-3-ene attachments 2 produce compounds with potent 5-HT-T affinity, and weak 5-HT(1A) affinity and alpha(1) affinity. This compares with 2,3-dihydro-1,4-benzodioxanes containing 8-aza-bicyclo[3.2.1] octan-3-ol attachments 4 which possess potent 5-HT(1A) affinit... aid3571.table aid3571.tbin
3572 5 Title: Modulation of selective serotonin reuptake inhibitor and 5-HT1A antagonist activity in 8-aza-bicyclo[3.2.1]octane derivatives of 2,3-dihydro-1,4-benzodioxane. Abstract: 2,3-Dihydro-1,4-benzodioxanes with aryl 8-aza-bicyclo[3.2.1]oct-3-ene attachments 2 produce compounds with potent 5-HT-T affinity, and weak 5-HT(1A) affinity and alpha(1) affinity. This compares with 2,3-dihydro-1,4-benzodioxanes containing 8-aza-bicyclo[3.2.1] octan-3-ol attachments 4 which possess potent 5-HT(1A) affinit... aid3572.table aid3572.tbin
3573 3 Title: Modulation of selective serotonin reuptake inhibitor and 5-HT1A antagonist activity in 8-aza-bicyclo[3.2.1]octane derivatives of 2,3-dihydro-1,4-benzodioxane. Abstract: 2,3-Dihydro-1,4-benzodioxanes with aryl 8-aza-bicyclo[3.2.1]oct-3-ene attachments 2 produce compounds with potent 5-HT-T affinity, and weak 5-HT(1A) affinity and alpha(1) affinity. This compares with 2,3-dihydro-1,4-benzodioxanes containing 8-aza-bicyclo[3.2.1] octan-3-ol attachments 4 which possess potent 5-HT(1A) affinit... aid3573.table aid3573.tbin
3574 8 Title: Modulation of selective serotonin reuptake inhibitor and 5-HT1A antagonist activity in 8-aza-bicyclo[3.2.1]octane derivatives of 2,3-dihydro-1,4-benzodioxane. Abstract: 2,3-Dihydro-1,4-benzodioxanes with aryl 8-aza-bicyclo[3.2.1]oct-3-ene attachments 2 produce compounds with potent 5-HT-T affinity, and weak 5-HT(1A) affinity and alpha(1) affinity. This compares with 2,3-dihydro-1,4-benzodioxanes containing 8-aza-bicyclo[3.2.1] octan-3-ol attachments 4 which possess potent 5-HT(1A) affinit... aid3574.table aid3574.tbin
3575 1 Title: Modulation of selective serotonin reuptake inhibitor and 5-HT1A antagonist activity in 8-aza-bicyclo[3.2.1]octane derivatives of 2,3-dihydro-1,4-benzodioxane. Abstract: 2,3-Dihydro-1,4-benzodioxanes with aryl 8-aza-bicyclo[3.2.1]oct-3-ene attachments 2 produce compounds with potent 5-HT-T affinity, and weak 5-HT(1A) affinity and alpha(1) affinity. This compares with 2,3-dihydro-1,4-benzodioxanes containing 8-aza-bicyclo[3.2.1] octan-3-ol attachments 4 which possess potent 5-HT(1A) affinit... aid3575.table aid3575.tbin
3576 7 Title: Studies toward the discovery of the next generation of antidepressants. Part 2: incorporating a 5-HT(1A) antagonist component into a class of serotonin reuptake inhibitors. Abstract: The design and synthesis of a novel series of indole derivatives (9) having dual 5-HT transporter reuptake and 5-HT(1A) antagonist activity are described. aid3576.table aid3576.tbin
3577 5 Title: Studies toward the discovery of the next generation of antidepressants. Part 2: incorporating a 5-HT(1A) antagonist component into a class of serotonin reuptake inhibitors. Abstract: The design and synthesis of a novel series of indole derivatives (9) having dual 5-HT transporter reuptake and 5-HT(1A) antagonist activity are described. aid3577.table aid3577.tbin
3578 2 Title: Studies toward the discovery of the next generation of antidepressants. Part 2: incorporating a 5-HT(1A) antagonist component into a class of serotonin reuptake inhibitors. Abstract: The design and synthesis of a novel series of indole derivatives (9) having dual 5-HT transporter reuptake and 5-HT(1A) antagonist activity are described. aid3578.table aid3578.tbin
3579 1 Title: Studies toward the discovery of the next generation of antidepressants. Part 2: incorporating a 5-HT(1A) antagonist component into a class of serotonin reuptake inhibitors. Abstract: The design and synthesis of a novel series of indole derivatives (9) having dual 5-HT transporter reuptake and 5-HT(1A) antagonist activity are described. aid3579.table aid3579.tbin
3580 1 Title: Studies toward the discovery of the next generation of antidepressants. Part 2: incorporating a 5-HT(1A) antagonist component into a class of serotonin reuptake inhibitors. Abstract: The design and synthesis of a novel series of indole derivatives (9) having dual 5-HT transporter reuptake and 5-HT(1A) antagonist activity are described. aid3580.table aid3580.tbin
3581 2 Title: Studies toward the discovery of the next generation of antidepressants. Part 2: incorporating a 5-HT(1A) antagonist component into a class of serotonin reuptake inhibitors. Abstract: The design and synthesis of a novel series of indole derivatives (9) having dual 5-HT transporter reuptake and 5-HT(1A) antagonist activity are described. aid3581.table aid3581.tbin
3582 1 Title: Studies toward the discovery of the next generation of antidepressants. Part 2: incorporating a 5-HT(1A) antagonist component into a class of serotonin reuptake inhibitors. Abstract: The design and synthesis of a novel series of indole derivatives (9) having dual 5-HT transporter reuptake and 5-HT(1A) antagonist activity are described. aid3582.table aid3582.tbin
3583 1 Title: Studies toward the discovery of the next generation of antidepressants. Part 2: incorporating a 5-HT(1A) antagonist component into a class of serotonin reuptake inhibitors. Abstract: The design and synthesis of a novel series of indole derivatives (9) having dual 5-HT transporter reuptake and 5-HT(1A) antagonist activity are described. aid3583.table aid3583.tbin
3584 7 Title: From hit to lead. Analyzing structure-profile relationships. Abstract: Two compounds, obtained by random screening, and displaying micromolar activities on the mu opiate receptor were used as starting points for optimization. In that work, the traditional concept of the activity of a compound (related to one or a few targets) was extended to the comprehensive pharmacological profile of that compound on more than 70 receptors, transporters, and channels relevant to a CNS-oriented project. ... aid3584.table aid3584.tbin
3585 1 Title: Studies toward the discovery of the next generation of antidepressants. 3. Dual 5-HT1A and serotonin transporter affinity within a class of N-aryloxyethylindolylalkylamines. Abstract: N-aryloxylethylindolealkylamines (5) having dual 5-HT transporter and 5-HT(1A) affinity are described. These compounds represent truncated analogues of our previously reported piperidinyl derivatives (3). Compounds in this investigation were found to have more similar affinities and functional activities for... aid3585.table aid3585.tbin
3586 5 Title: 5-HT1D receptor agonist properties of novel 2-[5-[[(trifluoromethyl)sulfonyl]oxy]indolyl]ethylamines and their use as synthetic intermediates. Abstract: 2-[5-[[(trifluoromethyl)sulfonyl]oxy]-1H-indol-3-yl]ethylamine (18), its N,N-di-n-propyl (12), N,N-diethyl (13), and N,N-dimethyl (14) derivatives, and 4-[3-[2-(N,N-dimethylamino)ethyl]-1H-indol-3-yl]-N-(p-methoxybenzyl) acrylamide (GR46611, 19) were synthesized and tested for binding affinities to cloned 5-HT1A, 5-HT1D alpha, 5-HT1D beta... aid3586.table aid3586.tbin
3587 1 Title: 3-[3-(Piperidin-1-yl)propyl]indoles as highly selective h5-HT(1D) receptor agonists. Abstract: Several 5-HT(1D/1B) receptor agonists are now entering the marketplace as treatments for migraine. This paper describes the development of selective h5-HT(1D) receptor agonists as potential antimigraine agents which may produce fewer side effects. A series of 3-[3-(piperidin-1-yl)propyl]indoles has been synthesized which has led to the identification of 80 (L-772,405), a high-affinity h5-HT(1D) ... aid3587.table aid3587.tbin
3588 1 Title: Studies toward the discovery of the next generation of antidepressants. 3. Dual 5-HT1A and serotonin transporter affinity within a class of N-aryloxyethylindolylalkylamines. Abstract: N-aryloxylethylindolealkylamines (5) having dual 5-HT transporter and 5-HT(1A) affinity are described. These compounds represent truncated analogues of our previously reported piperidinyl derivatives (3). Compounds in this investigation were found to have more similar affinities and functional activities for... aid3588.table aid3588.tbin
3589 22 Title: The design and preparation of metabolically protected new arylpiperazine 5-HT1A ligands. Abstract: New arylpiperazines related to buspirone, gepirone and NAN-190 were designed and screened in silico for their 5-HT(1A) affinity and potential sites of metabolism by human cytochrome p450 (CYP3A4). Modifications to these structures were assessed in silico for their influence on both 5HT(1A) affinity and metabolism. Selected new molecules were synthesized and purified in a parallel chemistry a... aid3589.table aid3589.tbin
3590 10 Title: A novel and selective 5-HT2 receptor agonist with ocular hypotensive activity: (S)-(+)-1-(2-aminopropyl)-8,9-dihydropyrano[3,2-e]indole. Abstract: Serotonin 5-HT2 receptor agonists have recently been shown to be effective in lowering intraocular pressure in nonhuman primates and represent a potential new class of antiglaucoma agents. As part of an effort to identify new selective agonists at this receptor, we have found that (S)-(+)-1-(2-aminopropyl)-8,9-dihydropyrano[3,2-e]indole (AL-373... aid3590.table aid3590.tbin
3591 1 Title: Studies toward the discovery of the next generation of antidepressants. 3. Dual 5-HT1A and serotonin transporter affinity within a class of N-aryloxyethylindolylalkylamines. Abstract: N-aryloxylethylindolealkylamines (5) having dual 5-HT transporter and 5-HT(1A) affinity are described. These compounds represent truncated analogues of our previously reported piperidinyl derivatives (3). Compounds in this investigation were found to have more similar affinities and functional activities for... aid3591.table aid3591.tbin
3592 2 Title: Studies toward the discovery of the next generation of antidepressants. 3. Dual 5-HT1A and serotonin transporter affinity within a class of N-aryloxyethylindolylalkylamines. Abstract: N-aryloxylethylindolealkylamines (5) having dual 5-HT transporter and 5-HT(1A) affinity are described. These compounds represent truncated analogues of our previously reported piperidinyl derivatives (3). Compounds in this investigation were found to have more similar affinities and functional activities for... aid3592.table aid3592.tbin
3593 3 Title: Orally active central dopamine and serotonin receptor ligands: 5-, 6-, 7-, and 8-[[trifluoromethyl)sulfonyl]oxy]-2-(di-n-propylamino)tetralins and the formation of active metabolites in vivo. Abstract: The racemic triflate derivatives 5-8 of the 5-, 6-, 7-, and 8-hydroxylated 2-(di-n-propylamino)-teralins 1-4 were shown to possess similar pharmacological profiles to their phenolic counterparts in in vitro binding and in vivo biochemical and behavioral assays in rats. Consequently, subcuta... aid3593.table aid3593.tbin
3594 1 Title: Orally active central dopamine and serotonin receptor ligands: 5-, 6-, 7-, and 8-[[trifluoromethyl)sulfonyl]oxy]-2-(di-n-propylamino)tetralins and the formation of active metabolites in vivo. Abstract: The racemic triflate derivatives 5-8 of the 5-, 6-, 7-, and 8-hydroxylated 2-(di-n-propylamino)-teralins 1-4 were shown to possess similar pharmacological profiles to their phenolic counterparts in in vitro binding and in vivo biochemical and behavioral assays in rats. Consequently, subcuta... aid3594.table aid3594.tbin
3595 4 Title: Orally active central dopamine and serotonin receptor ligands: 5-, 6-, 7-, and 8-[[trifluoromethyl)sulfonyl]oxy]-2-(di-n-propylamino)tetralins and the formation of active metabolites in vivo. Abstract: The racemic triflate derivatives 5-8 of the 5-, 6-, 7-, and 8-hydroxylated 2-(di-n-propylamino)-teralins 1-4 were shown to possess similar pharmacological profiles to their phenolic counterparts in in vitro binding and in vivo biochemical and behavioral assays in rats. Consequently, subcuta... aid3595.table aid3595.tbin
3596 4 Title: Orally active central dopamine and serotonin receptor ligands: 5-, 6-, 7-, and 8-[[trifluoromethyl)sulfonyl]oxy]-2-(di-n-propylamino)tetralins and the formation of active metabolites in vivo. Abstract: The racemic triflate derivatives 5-8 of the 5-, 6-, 7-, and 8-hydroxylated 2-(di-n-propylamino)-teralins 1-4 were shown to possess similar pharmacological profiles to their phenolic counterparts in in vitro binding and in vivo biochemical and behavioral assays in rats. Consequently, subcuta... aid3596.table aid3596.tbin
3597 1 Title: Orally active central dopamine and serotonin receptor ligands: 5-, 6-, 7-, and 8-[[trifluoromethyl)sulfonyl]oxy]-2-(di-n-propylamino)tetralins and the formation of active metabolites in vivo. Abstract: The racemic triflate derivatives 5-8 of the 5-, 6-, 7-, and 8-hydroxylated 2-(di-n-propylamino)-teralins 1-4 were shown to possess similar pharmacological profiles to their phenolic counterparts in in vitro binding and in vivo biochemical and behavioral assays in rats. Consequently, subcuta... aid3597.table aid3597.tbin
3598 1 Title: Orally active central dopamine and serotonin receptor ligands: 5-, 6-, 7-, and 8-[[trifluoromethyl)sulfonyl]oxy]-2-(di-n-propylamino)tetralins and the formation of active metabolites in vivo. Abstract: The racemic triflate derivatives 5-8 of the 5-, 6-, 7-, and 8-hydroxylated 2-(di-n-propylamino)-teralins 1-4 were shown to possess similar pharmacological profiles to their phenolic counterparts in in vitro binding and in vivo biochemical and behavioral assays in rats. Consequently, subcuta... aid3598.table aid3598.tbin
3599 4 Title: Orally active central dopamine and serotonin receptor ligands: 5-, 6-, 7-, and 8-[[trifluoromethyl)sulfonyl]oxy]-2-(di-n-propylamino)tetralins and the formation of active metabolites in vivo. Abstract: The racemic triflate derivatives 5-8 of the 5-, 6-, 7-, and 8-hydroxylated 2-(di-n-propylamino)-teralins 1-4 were shown to possess similar pharmacological profiles to their phenolic counterparts in in vitro binding and in vivo biochemical and behavioral assays in rats. Consequently, subcuta... aid3599.table aid3599.tbin
3600 1 Title: Orally active central dopamine and serotonin receptor ligands: 5-, 6-, 7-, and 8-[[trifluoromethyl)sulfonyl]oxy]-2-(di-n-propylamino)tetralins and the formation of active metabolites in vivo. Abstract: The racemic triflate derivatives 5-8 of the 5-, 6-, 7-, and 8-hydroxylated 2-(di-n-propylamino)-teralins 1-4 were shown to possess similar pharmacological profiles to their phenolic counterparts in in vitro binding and in vivo biochemical and behavioral assays in rats. Consequently, subcuta... aid3600.table aid3600.tbin
3601 3 Title: Orally active central dopamine and serotonin receptor ligands: 5-, 6-, 7-, and 8-[[trifluoromethyl)sulfonyl]oxy]-2-(di-n-propylamino)tetralins and the formation of active metabolites in vivo. Abstract: The racemic triflate derivatives 5-8 of the 5-, 6-, 7-, and 8-hydroxylated 2-(di-n-propylamino)-teralins 1-4 were shown to possess similar pharmacological profiles to their phenolic counterparts in in vitro binding and in vivo biochemical and behavioral assays in rats. Consequently, subcuta... aid3601.table aid3601.tbin
3602 5 Title: Orally active central dopamine and serotonin receptor ligands: 5-, 6-, 7-, and 8-[[trifluoromethyl)sulfonyl]oxy]-2-(di-n-propylamino)tetralins and the formation of active metabolites in vivo. Abstract: The racemic triflate derivatives 5-8 of the 5-, 6-, 7-, and 8-hydroxylated 2-(di-n-propylamino)-teralins 1-4 were shown to possess similar pharmacological profiles to their phenolic counterparts in in vitro binding and in vivo biochemical and behavioral assays in rats. Consequently, subcuta... aid3602.table aid3602.tbin
3603 2 Title: Orally active central dopamine and serotonin receptor ligands: 5-, 6-, 7-, and 8-[[trifluoromethyl)sulfonyl]oxy]-2-(di-n-propylamino)tetralins and the formation of active metabolites in vivo. Abstract: The racemic triflate derivatives 5-8 of the 5-, 6-, 7-, and 8-hydroxylated 2-(di-n-propylamino)-teralins 1-4 were shown to possess similar pharmacological profiles to their phenolic counterparts in in vitro binding and in vivo biochemical and behavioral assays in rats. Consequently, subcuta... aid3603.table aid3603.tbin
3604 3 Title: Orally active central dopamine and serotonin receptor ligands: 5-, 6-, 7-, and 8-[[trifluoromethyl)sulfonyl]oxy]-2-(di-n-propylamino)tetralins and the formation of active metabolites in vivo. Abstract: The racemic triflate derivatives 5-8 of the 5-, 6-, 7-, and 8-hydroxylated 2-(di-n-propylamino)-teralins 1-4 were shown to possess similar pharmacological profiles to their phenolic counterparts in in vitro binding and in vivo biochemical and behavioral assays in rats. Consequently, subcuta... aid3604.table aid3604.tbin
3605 1 Title: Orally active central dopamine and serotonin receptor ligands: 5-, 6-, 7-, and 8-[[trifluoromethyl)sulfonyl]oxy]-2-(di-n-propylamino)tetralins and the formation of active metabolites in vivo. Abstract: The racemic triflate derivatives 5-8 of the 5-, 6-, 7-, and 8-hydroxylated 2-(di-n-propylamino)-teralins 1-4 were shown to possess similar pharmacological profiles to their phenolic counterparts in in vitro binding and in vivo biochemical and behavioral assays in rats. Consequently, subcuta... aid3605.table aid3605.tbin
3606 1 Title: Orally active central dopamine and serotonin receptor ligands: 5-, 6-, 7-, and 8-[[trifluoromethyl)sulfonyl]oxy]-2-(di-n-propylamino)tetralins and the formation of active metabolites in vivo. Abstract: The racemic triflate derivatives 5-8 of the 5-, 6-, 7-, and 8-hydroxylated 2-(di-n-propylamino)-teralins 1-4 were shown to possess similar pharmacological profiles to their phenolic counterparts in in vitro binding and in vivo biochemical and behavioral assays in rats. Consequently, subcuta... aid3606.table aid3606.tbin
3607 4 Title: Orally active central dopamine and serotonin receptor ligands: 5-, 6-, 7-, and 8-[[trifluoromethyl)sulfonyl]oxy]-2-(di-n-propylamino)tetralins and the formation of active metabolites in vivo. Abstract: The racemic triflate derivatives 5-8 of the 5-, 6-, 7-, and 8-hydroxylated 2-(di-n-propylamino)-teralins 1-4 were shown to possess similar pharmacological profiles to their phenolic counterparts in in vitro binding and in vivo biochemical and behavioral assays in rats. Consequently, subcuta... aid3607.table aid3607.tbin
3608 4 Title: Orally active central dopamine and serotonin receptor ligands: 5-, 6-, 7-, and 8-[[trifluoromethyl)sulfonyl]oxy]-2-(di-n-propylamino)tetralins and the formation of active metabolites in vivo. Abstract: The racemic triflate derivatives 5-8 of the 5-, 6-, 7-, and 8-hydroxylated 2-(di-n-propylamino)-teralins 1-4 were shown to possess similar pharmacological profiles to their phenolic counterparts in in vitro binding and in vivo biochemical and behavioral assays in rats. Consequently, subcuta... aid3608.table aid3608.tbin
3609 1 Title: Orally active central dopamine and serotonin receptor ligands: 5-, 6-, 7-, and 8-[[trifluoromethyl)sulfonyl]oxy]-2-(di-n-propylamino)tetralins and the formation of active metabolites in vivo. Abstract: The racemic triflate derivatives 5-8 of the 5-, 6-, 7-, and 8-hydroxylated 2-(di-n-propylamino)-teralins 1-4 were shown to possess similar pharmacological profiles to their phenolic counterparts in in vitro binding and in vivo biochemical and behavioral assays in rats. Consequently, subcuta... aid3609.table aid3609.tbin
3610 1 Title: Orally active central dopamine and serotonin receptor ligands: 5-, 6-, 7-, and 8-[[trifluoromethyl)sulfonyl]oxy]-2-(di-n-propylamino)tetralins and the formation of active metabolites in vivo. Abstract: The racemic triflate derivatives 5-8 of the 5-, 6-, 7-, and 8-hydroxylated 2-(di-n-propylamino)-teralins 1-4 were shown to possess similar pharmacological profiles to their phenolic counterparts in in vitro binding and in vivo biochemical and behavioral assays in rats. Consequently, subcuta... aid3610.table aid3610.tbin
3611 1 Title: Orally active central dopamine and serotonin receptor ligands: 5-, 6-, 7-, and 8-[[trifluoromethyl)sulfonyl]oxy]-2-(di-n-propylamino)tetralins and the formation of active metabolites in vivo. Abstract: The racemic triflate derivatives 5-8 of the 5-, 6-, 7-, and 8-hydroxylated 2-(di-n-propylamino)-teralins 1-4 were shown to possess similar pharmacological profiles to their phenolic counterparts in in vitro binding and in vivo biochemical and behavioral assays in rats. Consequently, subcuta... aid3611.table aid3611.tbin
3612 2 Title: Stereoselective LSD-like activity in d-lysergic acid amides of (R)- and (S)-2-aminobutane. Abstract: The (R)- and (S)-2-butylamides of d-lysergic acid were prepared and evaluated in behavioral and biochemical assays of 5-HT2 agonist activity. In rats trained to discriminate 0.08 mg/kg LSD tartrate from saline, both isomers completely substituted for the training stimulus. Similarly, both isomers were found to possess very high affinity in displacing [125I]-(R)-DOI ([125I]-(R)-1-(2,5-dimet... aid3612.table aid3612.tbin
3613 1 Title: Design and synthesis of S-(-)-2-[[4-(napht-1-yl)piperazin-1-yl]methyl]-1,4-dioxoperhydropyrrolo[1,2-a]pyrazine (CSP-2503) using computational simulation. A 5-HT1A receptor agonist. Abstract: Based on a computational model for 5-HT(1A)R-ligand interaction and QSAR studies, we have designed and synthesized a new series of arylpiperazines 2-8 which exhibit high 5-HT(1A)R affinity and selectivity over alpha(1)-adrenergic receptors. Among them, compound CSP-2503 (4) has been pharmacologically ... aid3613.table aid3613.tbin
3614 1 Title: Design and synthesis of propranolol analogues as serotonergic agents. Abstract: Serotonin (5-HT) binds with nearly identical affinity at the various central 5-HT binding sites. Few agents bind with selectivity for 5-HT1A sites. The beta-adrenergic antagonist propranolol binds stereoselectively both at 5-HT1A and 5-HT1B sites (with a several-fold selectivity for the latter) and, whereas it is a 5-HT1A antagonist, it appears to be a 5-HT1B agonist. As such, it could serve as a lead compound... aid3614.table aid3614.tbin
3615 2 Title: Design and synthesis of propranolol analogues as serotonergic agents. Abstract: Serotonin (5-HT) binds with nearly identical affinity at the various central 5-HT binding sites. Few agents bind with selectivity for 5-HT1A sites. The beta-adrenergic antagonist propranolol binds stereoselectively both at 5-HT1A and 5-HT1B sites (with a several-fold selectivity for the latter) and, whereas it is a 5-HT1A antagonist, it appears to be a 5-HT1B agonist. As such, it could serve as a lead compound... aid3615.table aid3615.tbin
3616 16 Title: Design and synthesis of propranolol analogues as serotonergic agents. Abstract: Serotonin (5-HT) binds with nearly identical affinity at the various central 5-HT binding sites. Few agents bind with selectivity for 5-HT1A sites. The beta-adrenergic antagonist propranolol binds stereoselectively both at 5-HT1A and 5-HT1B sites (with a several-fold selectivity for the latter) and, whereas it is a 5-HT1A antagonist, it appears to be a 5-HT1B agonist. As such, it could serve as a lead compound... aid3616.table aid3616.tbin
3617 3 Inhibitory activity against human whole blood, LTB4 5-lipoxygenase was evaluated aid3617.table aid3617.tbin
3618 3 Inhibitory activity against intact human PMNL, LTB4 5-lipoxygenase was evaluated aid3618.table aid3618.tbin
3619 1 Title: Synthesis, chemical, and biological properties of vinylogous hydroxamic acids: dual inhibitors of 5-lipoxygenase and IL-1 biosynthesis. Abstract: Vinylogous hydroxamic acids (3-(N-hydroxy-N-alkylamino)-2-propen-1-ones, VHA) were prepared as antiinflammatory agents. The synthesis, chemical properties, and in vitro biological activities of these relatively unexplored compounds are described. The VHAs were prepared by condensation of the appropriate N-substituted hydroxylamine with any of th... aid3619.table aid3619.tbin
3620 1 Title: Synthesis, chemical, and biological properties of vinylogous hydroxamic acids: dual inhibitors of 5-lipoxygenase and IL-1 biosynthesis. Abstract: Vinylogous hydroxamic acids (3-(N-hydroxy-N-alkylamino)-2-propen-1-ones, VHA) were prepared as antiinflammatory agents. The synthesis, chemical properties, and in vitro biological activities of these relatively unexplored compounds are described. The VHAs were prepared by condensation of the appropriate N-substituted hydroxylamine with any of th... aid3620.table aid3620.tbin
3621 1 Title: Synthesis, chemical, and biological properties of vinylogous hydroxamic acids: dual inhibitors of 5-lipoxygenase and IL-1 biosynthesis. Abstract: Vinylogous hydroxamic acids (3-(N-hydroxy-N-alkylamino)-2-propen-1-ones, VHA) were prepared as antiinflammatory agents. The synthesis, chemical properties, and in vitro biological activities of these relatively unexplored compounds are described. The VHAs were prepared by condensation of the appropriate N-substituted hydroxylamine with any of th... aid3621.table aid3621.tbin
3622 1 Title: Synthesis, chemical, and biological properties of vinylogous hydroxamic acids: dual inhibitors of 5-lipoxygenase and IL-1 biosynthesis. Abstract: Vinylogous hydroxamic acids (3-(N-hydroxy-N-alkylamino)-2-propen-1-ones, VHA) were prepared as antiinflammatory agents. The synthesis, chemical properties, and in vitro biological activities of these relatively unexplored compounds are described. The VHAs were prepared by condensation of the appropriate N-substituted hydroxylamine with any of th... aid3622.table aid3622.tbin
3623 6 Inhibition of [14C]arachidonic acid conversion to 5-HETE by broken cell 5-LO isolated from guinea pig PMN aid3623.table aid3623.tbin
3624 1 Inhibition of [14C]arachidonic acid conversion to 5-HETE by broken cell 5-LO isolated from guinea pig PMN; not active at the highest concentration (3 ug/mL) tested; No activity aid3624.table aid3624.tbin
3625 1 Title: 5-lipoxygenase: properties, pharmacology, and the quinolinyl(bridged)aryl class of inhibitors. Abstract: In conclusion, an effective modulator of the AA cascade for the treatment of asthma and other inflammatory diseases may require 5-LO inhibitory activity as well as LTD4 antagonism in order to limit the effects of LTB4, LTD4, and 5-HPETE. The unknown role of LTC4 with respect to bronchoconstriction and mucus production could mask the efficacy of a pure LTD4 antagonist in man, whereas th... aid3625.table aid3625.tbin
3626 1 Title: Differential effects of a series of hydroxamic acid derivatives on 5-lipoxygenase and cyclooxygenase from neutrophils and 12-lipoxygenase from platelets and their in vivo effects on inflammation and anaphylaxis. Abstract: The synthesis of a series of novel substituted hydroxamates has been described along with their profile of inhibitory activity against 5-lipoxygenase, 12-lipoxygenase, and cyclooxygenase enzymes. The structure--activity relationship suggests that future molecules could b... aid3626.table aid3626.tbin
3627 10 Title: Conformational analysis of 5-lipoxygenase inhibitors: role of the substituents in chiral recognition and on the active conformations of the (methoxyalkyl)thiazole and methoxytetrahydropyran series. Abstract: The investigation of the SAR of 5-lipoxygenase (5-LO) inhibition of a series of racemic (methoxyalkyl)thiazoles, exemplified by compound 7 (ZM-211965), has led to other active, racemic derivatives in which the thiazole moiety has been replaced by an ester or an ether. Furthermore, the... aid3627.table aid3627.tbin
3628 4 Title: 5-lipoxygenase: properties, pharmacology, and the quinolinyl(bridged)aryl class of inhibitors. Abstract: In conclusion, an effective modulator of the AA cascade for the treatment of asthma and other inflammatory diseases may require 5-LO inhibitory activity as well as LTD4 antagonism in order to limit the effects of LTB4, LTD4, and 5-HPETE. The unknown role of LTC4 with respect to bronchoconstriction and mucus production could mask the efficacy of a pure LTD4 antagonist in man, whereas th... aid3628.table aid3628.tbin
3629 6 Title: Synthesis and 5-lipoxygenase inhibitory activities of some novel 2-substituted 5-benzofuran hydroxamic acids. Abstract: A series of 2-substituted benzofuran hydroxyamic acids were synthesized as rigid analogs of simple (benzyloxy)phenyl hydroxamates, evaluated for their in vitro and in vivo 5-lipoxygenase activity and found to be potent inhibitors of the enzyme. Substituents which enhanced lipophilicity near the 2-position of the benzofuran nucleus increased inhibitor potency but reduced ... aid3629.table aid3629.tbin
3630 1 Title: Conformational analysis of 5-lipoxygenase inhibitors: role of the substituents in chiral recognition and on the active conformations of the (methoxyalkyl)thiazole and methoxytetrahydropyran series. Abstract: The investigation of the SAR of 5-lipoxygenase (5-LO) inhibition of a series of racemic (methoxyalkyl)thiazoles, exemplified by compound 7 (ZM-211965), has led to other active, racemic derivatives in which the thiazole moiety has been replaced by an ester or an ether. Furthermore, the... aid3630.table aid3630.tbin
3631 11 Title: Synthesis and 5-lipoxygenase inhibitory activities of some novel 2-substituted 5-benzofuran hydroxamic acids. Abstract: A series of 2-substituted benzofuran hydroxyamic acids were synthesized as rigid analogs of simple (benzyloxy)phenyl hydroxamates, evaluated for their in vitro and in vivo 5-lipoxygenase activity and found to be potent inhibitors of the enzyme. Substituents which enhanced lipophilicity near the 2-position of the benzofuran nucleus increased inhibitor potency but reduced ... aid3631.table aid3631.tbin
3632 32 Title: Syntheses of 5,7,8- and 5,6,7-trioxygenated 3-alkyl-3',4'-dihydroxyflavones and their inhibitory activities against arachidonate 5-lipoxygenase. Abstract: 5,6,7- and 5,7,8-Trioxygenated 3',4'-dihydroxyflavones were derivatized by introducing alkyl groups of various chain lengths at the 3-position of the flavone skeleton. These compounds were tested as inhibitors for arachidonate 5-lipoxygenase purified from porcine leukocytes. Modification of the 3-position with an alkyl group of 6-10 car... aid3632.table aid3632.tbin
3633 32 Title: 5-Lipoxygenase inhibitors: the synthesis and structure-activity relationships of a series of 1-phenyl-3-pyrazolidinones. Abstract: A series of analogues of the 5-lipoxygenase inhibitor 1-phenyl-3-pyrazolidinone (phenidone, 1a) has been prepared via two complementary new synthetic methods. The reaction of various electrophiles with the dianion of 1a or with an N-silylpyrazolidinone anion gave the desired 4-substituted pyrazolidinones (Scheme I and II). A new procedure was developed for the... aid3633.table aid3633.tbin
3634 4 Title: Novel 1,2,4-oxadiazoles and 1,2,4-thiadiazoles as dual 5-lipoxygenase and cyclooxygenase inhibitors. Abstract: A series of 1,2,4-oxadiazoles and 1,2,4-thiadiazoles containing a 2,6-di-tert-butylphenol substituent were prepared and evaluated as dual inhibitors of 5-lipoxygenase and cyclooxygenase in rat basophilic leukemia (RBL-1) cells. Several of these compounds show oral efficacy in the rat carrageenan footpad edema (CFE) and mycobacterium footpad edema (MFE) antiinflammatory models, wi... aid3634.table aid3634.tbin
3635 28 Title: Styrylpyrazoles, styrylisoxazoles, and styrylisothiazoles. Novel 5-lipoxygenase and cyclooxygenase inhibitors. Abstract: A series of styrylpyrazoles, styrylisoxazoles, and styrylisothiazoles were prepared and found to be dual inhibitors of 5-lipoxygenase and cyclooxygenase in rat basophilic leukemia cells. Compounds from this series also were found to inhibit the in vivo production of LTB4 when dosed orally in rats. Among these compounds, di-tert-butylphenols 19 and 33 exhibit oral activi... aid3635.table aid3635.tbin
3636 1 Title: N-hydroxyurea and hydroxamic acid inhibitors of cyclooxygenase and 5-lipoxygenase. Abstract: Two series of compounds (1 and 2) having structural features of the dual COX/5-LO inhibitor tepoxalin and the 5-LO inhibitor ABT-761 were prepared. Many of these hybrid compounds are potent COX and 5-LO inhibitors; two compounds (1a and 2t) inhibit eicosanoid biosynthesis in an ex vivo assay. aid3636.table aid3636.tbin
3637 5 Title: 5-lipoxygenase: properties, pharmacology, and the quinolinyl(bridged)aryl class of inhibitors. Abstract: In conclusion, an effective modulator of the AA cascade for the treatment of asthma and other inflammatory diseases may require 5-LO inhibitory activity as well as LTD4 antagonism in order to limit the effects of LTB4, LTD4, and 5-HPETE. The unknown role of LTC4 with respect to bronchoconstriction and mucus production could mask the efficacy of a pure LTD4 antagonist in man, whereas th... aid3637.table aid3637.tbin
3638 1 Title: 5-lipoxygenase: properties, pharmacology, and the quinolinyl(bridged)aryl class of inhibitors. Abstract: In conclusion, an effective modulator of the AA cascade for the treatment of asthma and other inflammatory diseases may require 5-LO inhibitory activity as well as LTD4 antagonism in order to limit the effects of LTB4, LTD4, and 5-HPETE. The unknown role of LTC4 with respect to bronchoconstriction and mucus production could mask the efficacy of a pure LTD4 antagonist in man, whereas th... aid3638.table aid3638.tbin
3639 1 Title: 5-lipoxygenase: properties, pharmacology, and the quinolinyl(bridged)aryl class of inhibitors. Abstract: In conclusion, an effective modulator of the AA cascade for the treatment of asthma and other inflammatory diseases may require 5-LO inhibitory activity as well as LTD4 antagonism in order to limit the effects of LTB4, LTD4, and 5-HPETE. The unknown role of LTC4 with respect to bronchoconstriction and mucus production could mask the efficacy of a pure LTD4 antagonist in man, whereas th... aid3639.table aid3639.tbin
3640 1 Title: 5-Lipoxygenase inhibitors: the synthesis and structure-activity relationships of a series of 1-phenyl-3-pyrazolidinones. Abstract: A series of analogues of the 5-lipoxygenase inhibitor 1-phenyl-3-pyrazolidinone (phenidone, 1a) has been prepared via two complementary new synthetic methods. The reaction of various electrophiles with the dianion of 1a or with an N-silylpyrazolidinone anion gave the desired 4-substituted pyrazolidinones (Scheme I and II). A new procedure was developed for the... aid3640.table aid3640.tbin
3641 1 Title: N-hydroxyurea and hydroxamic acid inhibitors of cyclooxygenase and 5-lipoxygenase. Abstract: Two series of compounds (1 and 2) having structural features of the dual COX/5-LO inhibitor tepoxalin and the 5-LO inhibitor ABT-761 were prepared. Many of these hybrid compounds are potent COX and 5-LO inhibitors; two compounds (1a and 2t) inhibit eicosanoid biosynthesis in an ex vivo assay. aid3641.table aid3641.tbin
3642 2 Title: 5-lipoxygenase: properties, pharmacology, and the quinolinyl(bridged)aryl class of inhibitors. Abstract: In conclusion, an effective modulator of the AA cascade for the treatment of asthma and other inflammatory diseases may require 5-LO inhibitory activity as well as LTD4 antagonism in order to limit the effects of LTB4, LTD4, and 5-HPETE. The unknown role of LTC4 with respect to bronchoconstriction and mucus production could mask the efficacy of a pure LTD4 antagonist in man, whereas th... aid3642.table aid3642.tbin
3643 4 Title: Novel 1,2,4-oxadiazoles and 1,2,4-thiadiazoles as dual 5-lipoxygenase and cyclooxygenase inhibitors. Abstract: A series of 1,2,4-oxadiazoles and 1,2,4-thiadiazoles containing a 2,6-di-tert-butylphenol substituent were prepared and evaluated as dual inhibitors of 5-lipoxygenase and cyclooxygenase in rat basophilic leukemia (RBL-1) cells. Several of these compounds show oral efficacy in the rat carrageenan footpad edema (CFE) and mycobacterium footpad edema (MFE) antiinflammatory models, wi... aid3643.table aid3643.tbin
3644 2 Title: 5-Lipoxygenase inhibitors: the synthesis and structure-activity relationships of a series of 1-phenyl-3-pyrazolidinones. Abstract: A series of analogues of the 5-lipoxygenase inhibitor 1-phenyl-3-pyrazolidinone (phenidone, 1a) has been prepared via two complementary new synthetic methods. The reaction of various electrophiles with the dianion of 1a or with an N-silylpyrazolidinone anion gave the desired 4-substituted pyrazolidinones (Scheme I and II). A new procedure was developed for the... aid3644.table aid3644.tbin
3645 5 Title: 5-Lipoxygenase inhibitors: the synthesis and structure-activity relationships of a series of 1-phenyl-3-pyrazolidinones. Abstract: A series of analogues of the 5-lipoxygenase inhibitor 1-phenyl-3-pyrazolidinone (phenidone, 1a) has been prepared via two complementary new synthetic methods. The reaction of various electrophiles with the dianion of 1a or with an N-silylpyrazolidinone anion gave the desired 4-substituted pyrazolidinones (Scheme I and II). A new procedure was developed for the... aid3645.table aid3645.tbin
3646 1 Title: 5-lipoxygenase: properties, pharmacology, and the quinolinyl(bridged)aryl class of inhibitors. Abstract: In conclusion, an effective modulator of the AA cascade for the treatment of asthma and other inflammatory diseases may require 5-LO inhibitory activity as well as LTD4 antagonism in order to limit the effects of LTB4, LTD4, and 5-HPETE. The unknown role of LTC4 with respect to bronchoconstriction and mucus production could mask the efficacy of a pure LTD4 antagonist in man, whereas th... aid3646.table aid3646.tbin
3647 5 Title: 5-Lipoxygenase inhibitors: the synthesis and structure-activity relationships of a series of 1-phenyl-3-pyrazolidinones. Abstract: A series of analogues of the 5-lipoxygenase inhibitor 1-phenyl-3-pyrazolidinone (phenidone, 1a) has been prepared via two complementary new synthetic methods. The reaction of various electrophiles with the dianion of 1a or with an N-silylpyrazolidinone anion gave the desired 4-substituted pyrazolidinones (Scheme I and II). A new procedure was developed for the... aid3647.table aid3647.tbin
3648 6 Title: Biphenyls as surrogates of the steroidal backbone. Part 2: discovery of a novel family of non-steroidal 5-alpha-reductase inhibitors. Abstract: A new family of non-steroidal 5-alpha-reductase inhibitors was designed by replacing the steroid skeleton of an inhibitor related to estrone by a biphenyl moiety. This hypothesis originated from the reported estrogenic activity of a few biphenyl compounds (see Part 1 of this paper; Lesuisse et al. Bioorg. Med. Chem. Lett. 2001, 11, 1709). Two comp... aid3648.table aid3648.tbin
3649 2 Title: Synthesis of pseudo cofactor analogues as potential inhibitors of the folate enzymes. Abstract: Reaction of 5,6,7,8-tetrahydrofolic acid (THF,7) with phosgene, thiophosgene, and cyanogen bromide gave the bridged derivatives, 5,10-(CO)-THF (8), 5,10-(CS)-THF (9), and 5,10-(C = NH)-THF (11), respectively. Catalytic hydrogenation of 10-(chloroacetyl)folic acid (2) gave 5,10-(CH2CO)-THF (12). A similar reaction with 10-(3-chloropropionyl)folic acid (3) gave 10-(ClCH2CH2CO)-THF (14) rather tha... aid3649.table aid3649.tbin
3650 2 Title: Synthesis of pseudo cofactor analogues as potential inhibitors of the folate enzymes. Abstract: Reaction of 5,6,7,8-tetrahydrofolic acid (THF,7) with phosgene, thiophosgene, and cyanogen bromide gave the bridged derivatives, 5,10-(CO)-THF (8), 5,10-(CS)-THF (9), and 5,10-(C = NH)-THF (11), respectively. Catalytic hydrogenation of 10-(chloroacetyl)folic acid (2) gave 5,10-(CH2CO)-THF (12). A similar reaction with 10-(3-chloropropionyl)folic acid (3) gave 10-(ClCH2CH2CO)-THF (14) rather tha... aid3650.table aid3650.tbin
3651 1 Title: Synthesis of pseudo cofactor analogues as potential inhibitors of the folate enzymes. Abstract: Reaction of 5,6,7,8-tetrahydrofolic acid (THF,7) with phosgene, thiophosgene, and cyanogen bromide gave the bridged derivatives, 5,10-(CO)-THF (8), 5,10-(CS)-THF (9), and 5,10-(C = NH)-THF (11), respectively. Catalytic hydrogenation of 10-(chloroacetyl)folic acid (2) gave 5,10-(CH2CO)-THF (12). A similar reaction with 10-(3-chloropropionyl)folic acid (3) gave 10-(ClCH2CH2CO)-THF (14) rather tha... aid3651.table aid3651.tbin
3652 1 Title: Synthesis and biological evaluation of N alpha-(5-deaza-5,6,7,8-tetrahydropteroyl)-L-ornithine. Abstract: A novel folic acid analogue, N alpha-(5-deaza-5,6,7,8-tetrahydropteroyl)-L-ornithine, 3, was prepared via a multistep synthetic sequence. The key steps involved the conversion of 5-deazapteroic acid to its N10-formyl derivative followed by catalytic hydrogenation of the pyridine ring and subsequent heating in dilute sodium hydroxide to afford the new 5-deaza-5,6,7,8-tetrahydropteroic ... aid3652.table aid3652.tbin
3653 3 Title: Neuroleptic activity and dopamine-uptake inhibition in 1-piperazino-3-phenylindans. Abstract: A series of 1-piperazino-3-phenylindans was synthesized and tested for neuroleptic and thymoleptic activity. Neuroleptic activity was found only in trans racemates and was associated with one of the enantiomers only. The potent and long-acting neuroleptic compound trans-4-[3-(4-fluorophenyl)-6-(trifluoromethyl)indan-1-yl]-1-piperazineethanol (Lu 18-012, tefludazine) was developed by systematic va... aid3653.table aid3653.tbin
3654 7 Title: Neuroleptic activity and dopamine-uptake inhibition in 1-piperazino-3-phenylindans. Abstract: A series of 1-piperazino-3-phenylindans was synthesized and tested for neuroleptic and thymoleptic activity. Neuroleptic activity was found only in trans racemates and was associated with one of the enantiomers only. The potent and long-acting neuroleptic compound trans-4-[3-(4-fluorophenyl)-6-(trifluoromethyl)indan-1-yl]-1-piperazineethanol (Lu 18-012, tefludazine) was developed by systematic va... aid3654.table aid3654.tbin
3655 6 Title: Neuroleptic activity and dopamine-uptake inhibition in 1-piperazino-3-phenylindans. Abstract: A series of 1-piperazino-3-phenylindans was synthesized and tested for neuroleptic and thymoleptic activity. Neuroleptic activity was found only in trans racemates and was associated with one of the enantiomers only. The potent and long-acting neuroleptic compound trans-4-[3-(4-fluorophenyl)-6-(trifluoromethyl)indan-1-yl]-1-piperazineethanol (Lu 18-012, tefludazine) was developed by systematic va... aid3655.table aid3655.tbin
3656 31 Title: Benzisoxazole- and benzisothiazole-3-carboxamides as potential atypical antipsychotic agents. Abstract: A series of benzisoxazole- and benzisothiazole-3-carboxamides has been prepared and tested for potential antipsychotic activity. In general, the compounds showed an affinity for dopamine D2 and serotonin 5HT2A and 5HT1A receptors. Several members of this series have demonstrated activity in animal models predictive of potential antipsychotic activity. In addition, compounds 18, 19, 22, ... aid3656.table aid3656.tbin
3657 6 Title: Current and novel approaches to the drug treatment of schizophrenia. aid3657.table aid3657.tbin
3658 1 Title: Computer-aided design and synthesis of 5-substituted tryptamines and their pharmacology at the 5-HT1D receptor: discovery of compounds with potential anti-migraine properties. Abstract: The design and synthesis of a series of novel 5-substituted tryptamines with pharmacological activity at 5-HT1D and other monoamine receptors is described. Structural modifications of N- and C-linked (principally hydantoin) analogues at the 5-position were synthesized and their pharmacological activities w... aid3658.table aid3658.tbin
3659 1 Title: Computer-aided design and synthesis of 5-substituted tryptamines and their pharmacology at the 5-HT1D receptor: discovery of compounds with potential anti-migraine properties. Abstract: The design and synthesis of a series of novel 5-substituted tryptamines with pharmacological activity at 5-HT1D and other monoamine receptors is described. Structural modifications of N- and C-linked (principally hydantoin) analogues at the 5-position were synthesized and their pharmacological activities w... aid3659.table aid3659.tbin
3660 1 Title: Computer-aided design and synthesis of 5-substituted tryptamines and their pharmacology at the 5-HT1D receptor: discovery of compounds with potential anti-migraine properties. Abstract: The design and synthesis of a series of novel 5-substituted tryptamines with pharmacological activity at 5-HT1D and other monoamine receptors is described. Structural modifications of N- and C-linked (principally hydantoin) analogues at the 5-position were synthesized and their pharmacological activities w... aid3660.table aid3660.tbin
3661 1 Title: Computer-aided design and synthesis of 5-substituted tryptamines and their pharmacology at the 5-HT1D receptor: discovery of compounds with potential anti-migraine properties. Abstract: The design and synthesis of a series of novel 5-substituted tryptamines with pharmacological activity at 5-HT1D and other monoamine receptors is described. Structural modifications of N- and C-linked (principally hydantoin) analogues at the 5-position were synthesized and their pharmacological activities w... aid3661.table aid3661.tbin
3662 7 Title: The thieno[3,2-c]pyridine and furo[3,2-c]pyridine rings: new pharmacophores with potential antipsychotic activity. Abstract: Two new arylpiperazine derivatives, the 4-(1-piperazinyl)thieno- and -furo[3,2-c]pyridine ring systems, have been synthesized and appended via tetramethylene chains to various imide rings. Target compounds from each series were found to have significant activity in the blockade of apomorphine stereotypy and apomorphine-induced climbing, the Sidman avoidance response... aid3662.table aid3662.tbin
3663 7 Title: The thieno[3,2-c]pyridine and furo[3,2-c]pyridine rings: new pharmacophores with potential antipsychotic activity. Abstract: Two new arylpiperazine derivatives, the 4-(1-piperazinyl)thieno- and -furo[3,2-c]pyridine ring systems, have been synthesized and appended via tetramethylene chains to various imide rings. Target compounds from each series were found to have significant activity in the blockade of apomorphine stereotypy and apomorphine-induced climbing, the Sidman avoidance response... aid3663.table aid3663.tbin
3664 1 Title: The thieno[3,2-c]pyridine and furo[3,2-c]pyridine rings: new pharmacophores with potential antipsychotic activity. Abstract: Two new arylpiperazine derivatives, the 4-(1-piperazinyl)thieno- and -furo[3,2-c]pyridine ring systems, have been synthesized and appended via tetramethylene chains to various imide rings. Target compounds from each series were found to have significant activity in the blockade of apomorphine stereotypy and apomorphine-induced climbing, the Sidman avoidance response... aid3664.table aid3664.tbin
3665 7 Title: 6-substituted 1,3,4,5-tetrahydrobenz[cd]indol-4-amines: potent serotonin agonists. Abstract: A series of 6-substituted tricyclic ergoline partial structures has been synthesized and found to possess very strong serotonin agonist activity. A methoxy group at the 6-position greatly enhances activity, but at the expense of compound stability. Substituting the 6-position with protophyllic groups that are also electron-withdrawing in character enhances both activity and stability. aid3665.table aid3665.tbin
3666 10 Title: 2,3-Dialkyl(dimethylamino)indoles: interaction with 5HT1, 5HT2, and rat stomach fundal serotonin receptors. Abstract: 2,3-Dialkyl(dimethylamino)indoles, synthesized via the Fisher indole synthesis, were found to weakly bind to 5HT1 and 5HT2 sites in brain cortical membranes (IC50 greater than 1 microM at both sites for all compounds). These (dimethylamino)indoles were relatively potent antagonists of the serotonin receptor in the rat stomach fundus. At higher concentrations, several of th... aid3666.table aid3666.tbin
3667 2 Title: Ergolines as selective 5-HT1 agonists. Abstract: The synthesis and serotonin receptor subtype affinity of a series of ergolines are described. High selectivity for the 5-HT1 subtype was found with a number of 8-substituted (3 beta, 5 beta)-9,10-didehydro-6-methylergolines. The more potent and selective of these compounds increased the concentration of serotonin and decreased the concentration of 5-HIAA in rat brain and increased corticosterone concentration in rat serum. Oral administrati... aid3667.table aid3667.tbin
3668 7 Title: Ergolines as selective 5-HT1 agonists. Abstract: The synthesis and serotonin receptor subtype affinity of a series of ergolines are described. High selectivity for the 5-HT1 subtype was found with a number of 8-substituted (3 beta, 5 beta)-9,10-didehydro-6-methylergolines. The more potent and selective of these compounds increased the concentration of serotonin and decreased the concentration of 5-HIAA in rat brain and increased corticosterone concentration in rat serum. Oral administrati... aid3668.table aid3668.tbin
3669 3 Title: Synthesis and biological evaluation of 1-(1,2-benzisothiazol-3-yl)- and (1,2-benzisoxazol-3-yl)piperazine derivatives as potential antipsychotic agents. Abstract: Members of the series of title compounds were tested for potential antipsychotic activity in relevant receptor binding assays and behavioral screens. Structure-activity relationships within the series are discussed. Compound 24 (BMY 13859-1), a (1,2-benzisothiazol-3-yl)piperazine derivative, was selected for further study becaus... aid3669.table aid3669.tbin
3670 2 Title: Buspirone analogues. 2. Structure-activity relationships of aromatic imide derivatives. Abstract: Several analogues of the novel anxiolytic buspirone were synthesized and evaluated in vivo for tranquilizing activity and their ability to reverse neuroleptic-induced catalepsy. The in vitro binding affinities of these compounds were also examined for both the alpha 1 and dopamine D2 receptor systems. The general structure-activity relationships of this series highlight compounds 17, 21, and ... aid3670.table aid3670.tbin
3671 6 Title: Oxygen isosteric derivatives of 3-(3-hydroxyphenyl)-N-n-propylpiperidine. Abstract: Some substituted 3-phenylmorpholines (10a-e,j,k) and 3-thienylmorpholines (10f,g), isosteres of 3-(3-hydroxy-phenyl)-N-n-propylpiperidine (3-PPP), were prepared and submitted to binding assays on D-2 dopaminergic and 5-HT1 and 5-HT2 serotonergic receptors, in comparison with 3-PPP and its analogue 3a,b. The results show the loss of D-2 affinity for all morpholines, while a certain activity was still observ... aid3671.table aid3671.tbin
3672 3 Title: Novel benzamides as selective and potent gastrokinetic agents. 2. Synthesis and structure-activity relationships of 4-amino-5-chloro-2-ethoxy-N-[[4-(4-fluorobenzyl)-2- morpholinyl]methyl] benzamide citrate (AS-4370) and related compounds. Abstract: The title compounds (19-55) with a 4-substituted 2-(aminomethyl)morpholine group were prepared and evaluated for the gastrokinetic activity by determining their effect on gastric emptying of phenol red semisolid meal in rats. Introduction of ch... aid3672.table aid3672.tbin
3673 1 Title: 2,3-Dialkyl(dimethylamino)indoles: interaction with 5HT1, 5HT2, and rat stomach fundal serotonin receptors. Abstract: 2,3-Dialkyl(dimethylamino)indoles, synthesized via the Fisher indole synthesis, were found to weakly bind to 5HT1 and 5HT2 sites in brain cortical membranes (IC50 greater than 1 microM at both sites for all compounds). These (dimethylamino)indoles were relatively potent antagonists of the serotonin receptor in the rat stomach fundus. At higher concentrations, several of th... aid3673.table aid3673.tbin
3674 11 Title: Ergolines as selective 5-HT1 agonists. Abstract: The synthesis and serotonin receptor subtype affinity of a series of ergolines are described. High selectivity for the 5-HT1 subtype was found with a number of 8-substituted (3 beta, 5 beta)-9,10-didehydro-6-methylergolines. The more potent and selective of these compounds increased the concentration of serotonin and decreased the concentration of 5-HIAA in rat brain and increased corticosterone concentration in rat serum. Oral administrati... aid3674.table aid3674.tbin
3675 6 Title: Design, synthesis, and structure-activity relationships of phthalimide-phenylpiperazines: a novel series of potent and selective alpha(1)(a)-adrenergic receptor antagonists. Abstract: Beginning from the screening hit and literature alpha(1)-adrenergic compounds, a hybridized basic skeleton A was proposed as the pharmacophore for potent and selective alpha(1a)-AR antagonists. Introduction of a hydroxy group to increase the flexibility afforded B which served as the screening model and resu... aid3675.table aid3675.tbin
3676 1 Title: Design, synthesis, and structure-activity relationships of phthalimide-phenylpiperazines: a novel series of potent and selective alpha(1)(a)-adrenergic receptor antagonists. Abstract: Beginning from the screening hit and literature alpha(1)-adrenergic compounds, a hybridized basic skeleton A was proposed as the pharmacophore for potent and selective alpha(1a)-AR antagonists. Introduction of a hydroxy group to increase the flexibility afforded B which served as the screening model and resu... aid3676.table aid3676.tbin
3677 1 Title: Studies on quinazolines and 1,2,4-benzothiadiazine 1,1-dioxides. 8.1, 2 synthesis and pharmacological evaluation of tricyclic fused quinazolines and 1,2,4-benzothiadiazine 1,1-dioxides as potential alpha1-adrenoceptor antagonists. Abstract: A series of 2-substituted methyl 2,3-dihydroimidazo[1, 2-c]quinazolin-5(6H)-ones (4), 3-substituted methyl 2, 3-dihydroimidazo[1,2-c]quinazolin-5(6H)-ones (5), 3-substituted methyl 2,3-dihydro-5H-thiazolo[2,3-b]quinazolin-5-ones (15a,b), 3-substituted ... aid3677.table aid3677.tbin
3678 3 Title: Studies on quinazolines and 1,2,4-benzothiadiazine 1,1-dioxides. 8.1, 2 synthesis and pharmacological evaluation of tricyclic fused quinazolines and 1,2,4-benzothiadiazine 1,1-dioxides as potential alpha1-adrenoceptor antagonists. Abstract: A series of 2-substituted methyl 2,3-dihydroimidazo[1, 2-c]quinazolin-5(6H)-ones (4), 3-substituted methyl 2, 3-dihydroimidazo[1,2-c]quinazolin-5(6H)-ones (5), 3-substituted methyl 2,3-dihydro-5H-thiazolo[2,3-b]quinazolin-5-ones (15a,b), 3-substituted ... aid3678.table aid3678.tbin
3679 1 Title: Orally active and potent inhibitors of gamma-aminobutyric acid uptake. Abstract: 3-Pyrrolidineacetic acid (1a), certain piperidinecarboxylic acids--i.e., 3-piperidinecarboxylic acid (2a), 1,2,5,6-tetrahydro-3-pyridinecarboxylic acid (3a), and cis-4-hydroxy-3-piperidinecarboxylic acid (4a)--cis-3-aminocyclohexanecarboxylic acid (5a, cis-3-ACHC), and gamma-aminobutyric acid (6a, GABA) itself are among the most potent inhibitors of [3H]GABA uptake by neurons and glia in vitro. These hydrophi... aid3679.table aid3679.tbin
3680 10 Title: Activity of aromatic substituted phenylpiperazines lacking affinity for dopamine binding sites in a preclinical test of antipsychotic efficacy. Abstract: Generally, antipsychotic agents are dopamine receptor blocking agents that also block conditioned avoidance responding (CAR) in the rat. Recently, however, both (Q-methoxyphenyl)piperazine (OMPP, 1h) and (m-chlorophenyl)piperazine (MCPP, 1o) have been reported to block conditioned avoidance responding in the rat although neither has dopa... aid3680.table aid3680.tbin
3681 2 Title: Two novel and potent 3-[(o-methoxyphenyl)piperazinylethyl]-5-phenylthien. Abstract: The synthesis and in vitro characterization of A-119637 and A-123189, two novel, selective and potent alpha1D antagonists, are described. aid3681.table aid3681.tbin
3682 6 Title: Activity of aromatic substituted phenylpiperazines lacking affinity for dopamine binding sites in a preclinical test of antipsychotic efficacy. Abstract: Generally, antipsychotic agents are dopamine receptor blocking agents that also block conditioned avoidance responding (CAR) in the rat. Recently, however, both (Q-methoxyphenyl)piperazine (OMPP, 1h) and (m-chlorophenyl)piperazine (MCPP, 1o) have been reported to block conditioned avoidance responding in the rat although neither has dopa... aid3682.table aid3682.tbin
3683 1 Title: Activity of aromatic substituted phenylpiperazines lacking affinity for dopamine binding sites in a preclinical test of antipsychotic efficacy. Abstract: Generally, antipsychotic agents are dopamine receptor blocking agents that also block conditioned avoidance responding (CAR) in the rat. Recently, however, both (Q-methoxyphenyl)piperazine (OMPP, 1h) and (m-chlorophenyl)piperazine (MCPP, 1o) have been reported to block conditioned avoidance responding in the rat although neither has dopa... aid3683.table aid3683.tbin
3684 2 Title: Activity of aromatic substituted phenylpiperazines lacking affinity for dopamine binding sites in a preclinical test of antipsychotic efficacy. Abstract: Generally, antipsychotic agents are dopamine receptor blocking agents that also block conditioned avoidance responding (CAR) in the rat. Recently, however, both (Q-methoxyphenyl)piperazine (OMPP, 1h) and (m-chlorophenyl)piperazine (MCPP, 1o) have been reported to block conditioned avoidance responding in the rat although neither has dopa... aid3684.table aid3684.tbin
3685 1 Title: Design, synthesis, and structure-activity relationships of phthalimide-phenylpiperazines: a novel series of potent and selective alpha(1)(a)-adrenergic receptor antagonists. Abstract: Beginning from the screening hit and literature alpha(1)-adrenergic compounds, a hybridized basic skeleton A was proposed as the pharmacophore for potent and selective alpha(1a)-AR antagonists. Introduction of a hydroxy group to increase the flexibility afforded B which served as the screening model and resu... aid3685.table aid3685.tbin
3686 1 Title: Design, synthesis, and structure-activity relationships of phthalimide-phenylpiperazines: a novel series of potent and selective alpha(1)(a)-adrenergic receptor antagonists. Abstract: Beginning from the screening hit and literature alpha(1)-adrenergic compounds, a hybridized basic skeleton A was proposed as the pharmacophore for potent and selective alpha(1a)-AR antagonists. Introduction of a hydroxy group to increase the flexibility afforded B which served as the screening model and resu... aid3686.table aid3686.tbin
3687 3 Title: Central serotonin receptors as targets for drug research. aid3687.table aid3687.tbin
3688 14 Title: Azepinoindole derivatives with high affinity for brain dopamine and serotonin receptors. Abstract: We synthesized 20 and 21 as conformationally constrained analogues of the dopamine receptor antagonist SKF-83742, as well as analogues 6-9, 16, and 18-22. Although 20 and 21 were inactive, 7, 9, and 19 showed strong binding to D-1, D-2, S-2, and alpha-1 receptors, as well as antipsychotic activity in vivo. aid3688.table aid3688.tbin
3689 2 Title: Studies on quinazolines and 1,2,4-benzothiadiazine 1,1-dioxides. 8.1, 2 synthesis and pharmacological evaluation of tricyclic fused quinazolines and 1,2,4-benzothiadiazine 1,1-dioxides as potential alpha1-adrenoceptor antagonists. Abstract: A series of 2-substituted methyl 2,3-dihydroimidazo[1, 2-c]quinazolin-5(6H)-ones (4), 3-substituted methyl 2, 3-dihydroimidazo[1,2-c]quinazolin-5(6H)-ones (5), 3-substituted methyl 2,3-dihydro-5H-thiazolo[2,3-b]quinazolin-5-ones (15a,b), 3-substituted ... aid3689.table aid3689.tbin
3690 1 Title: Studies on quinazolines and 1,2,4-benzothiadiazine 1,1-dioxides. 8.1, 2 synthesis and pharmacological evaluation of tricyclic fused quinazolines and 1,2,4-benzothiadiazine 1,1-dioxides as potential alpha1-adrenoceptor antagonists. Abstract: A series of 2-substituted methyl 2,3-dihydroimidazo[1, 2-c]quinazolin-5(6H)-ones (4), 3-substituted methyl 2, 3-dihydroimidazo[1,2-c]quinazolin-5(6H)-ones (5), 3-substituted methyl 2,3-dihydro-5H-thiazolo[2,3-b]quinazolin-5-ones (15a,b), 3-substituted ... aid3690.table aid3690.tbin
3691 1 Title: Bridgehead-methyl analog of SC-53116 as a 5-HT4 agonist. Abstract: Pyrrolizidine benzamide (+/-)-2, the bridgehead-methyl analog of SC-53116, was prepared and evaluated for 5-HT(4) agonism activity in the rat tunica muscularis (TMM) mucosae assay. Compound (+/-)-2 has an EC(50) of 449 nM in the TMM assay, as compared to 23 nM for SC-53116, and 66 nM for the racemate of SC-53116. aid3691.table aid3691.tbin
3692 1 Compound was evaluated for its binding affinity to 5-hydroxytryptamine 1 receptor in rat brain using [3H]HT radioligand assay aid3692.table aid3692.tbin
3693 1 Title: Novel antagonists of 5-HT3 receptors. Synthesis and biological evaluation of piperazinylquinoxaline derivatives. Abstract: A series of piperazinylquinoxalines has been synthesized and studied as 5-HT3 receptor antagonists in different preparations. Antagonism to 5-HT in the longitudinal muscle of the guinea pig ileum was particularly prominent in cyanoquinoxaline derivatives with an alkyl substitutuent on the piperazine moiety. The pA2 of some selected compounds against the 5-HT3 agonist ... aid3693.table aid3693.tbin
3694 14 Title: Synthesis and evaluation of phenyl- and benzoylpiperazines as potential serotonergic agents. Abstract: The binding of a series of phenylpiperazines (3) and benzoylpiperazines (4) to central serotonin (5-HT) sites was investigated. Several derivatives of 3 displayed nanomolar affinities for 5-HT1 sites, whereas derivatives of 4 were essentially inactive both at 5-HT1 and 5-HT2 sites. 1-(2-Methoxyphenyl)piperazine (2-MPP, 3a) was found to possess an affinity (Ki = 35 nM) for 5-HT1 sites com... aid3694.table aid3694.tbin
3695 40 Title: Central serotonin receptors as targets for drug research. aid3695.table aid3695.tbin
3696 13 Title: 5-HT1 and 5-HT2 binding characteristics of 1-(2,5-dimethoxy-4-bromophenyl)-2-aminopropane analogues. Abstract: 1-(2,5-Dimethoxy-4-bromophenyl)-2-aminopropane (DOB; 1a) is a purported serotonin (5-HT) agonist that binds selectively to central 5-HT2 binding sites. Systematic removal of any or all of the aromatic substituents had relatively little effect on 5-HT1 binding but reduced 5-HT2 binding by approximately 2 or more orders of magnitude. Demethylation of the 2-methoxy group of 1a, or i... aid3696.table aid3696.tbin
3697 14 Title: 5-HT1 and 5-HT2 binding characteristics of some quipazine analogues. Abstract: Arylpiperazines, such as 1-(3-trifluoromethylphenyl)piperazine (TFMPP) and its chloro analogue mCPP, are 5-HT1 agonists, whereas quipazine, i.e., 2-(1-piperazino)quinoline, appears to be a 5-HT2 agonist. Radioligand binding studies using rat cortical membrane homogenates and drug discrimination studies using rats trained to discriminate a 5-HT1 agonist (i.e., TFMPP) or a 5-HT2 agonist (i.e., 1-(2,5-dimethoxy-4-... aid3697.table aid3697.tbin
3698 6 Title: SC-53116: the first selective agonist at the newly identified serotonin 5-HT4 receptor subtype. aid3698.table aid3698.tbin
3699 4 Title: Pyrrole mannich bases as potential antipsychotic agents. Abstract: Recently, we reported on a series of arylpiperazines 4 which exhibit high affinity for the serotonin 5-HT-1A and 5-HT-1B binding sites. Although these compounds interact weakly with dopamine D-1 and D-2 receptors, they are reasonably potent in inhibiting conditioned avoidance responding (CAR) in the rat, an indication of potential antipsychotic activity. Conversion of these arylpiperazines to pyrrole Mannich bases has prov... aid3699.table aid3699.tbin
3700 31 Title: Pyrrole mannich bases as potential antipsychotic agents. Abstract: Recently, we reported on a series of arylpiperazines 4 which exhibit high affinity for the serotonin 5-HT-1A and 5-HT-1B binding sites. Although these compounds interact weakly with dopamine D-1 and D-2 receptors, they are reasonably potent in inhibiting conditioned avoidance responding (CAR) in the rat, an indication of potential antipsychotic activity. Conversion of these arylpiperazines to pyrrole Mannich bases has prov... aid3700.table aid3700.tbin
3701 60 Title: Synthesis and 5-hydroxytryptamine antagonist activity of 2-[[2-(dimethylamino)ethyl]thio]-3-phenylquinoline and its analogues. Abstract: A series of 2-[(2-aminoethyl)thio]quinolines substituted at the 3-position with alkyl, aryl, or heteroaryl groups has been prepared in the search for novel and selective 5-HT2 antagonists. The affinity of the compounds for 5-HT1 receptor sites was measured by their ability to displace [3H]-5-HT from rat brain synaptosomes whereas the affinity for 5-HT2 r... aid3701.table aid3701.tbin
3702 1 Title: 2-Substituted 1-azabicycloalkanes, a new class of non-opiate antinociceptive agents. Abstract: 2-Substituted 1-azabicycloalkanes (3- and 5-aryloctahydroindolizines 2 and 11, 3-cyclohexyloctahydroindolizine 12, 4-aryloctahydroquinolizines 13, and 3-arylhexahydropyrrolizines 14) constitute a new class of non-opiate antinociceptive agents. These compounds demonstrated activity in the mouse abdominal constriction test and many were active in the mouse tail-flick test. trans-3-(2-Bromophenyl)o... aid3702.table aid3702.tbin
3703 1 Title: First tricyclic oximino derivatives as 5-HT3 ligands. Abstract: The design and synthesis of a new type of 5-HT3 ligand with subnanomolar affinity are described. The O-dialkylaminoethyloximinothienopyrrolizine structure was deduced from molecular modeling studies by replacement of an amidine moiety by an oximino one. aid3703.table aid3703.tbin
3704 3 Inhibitory concentration against 5-hydroxytryptamine 1 receptor aid3704.table aid3704.tbin
3705 5 Title: 2H-[1]benzopyrano[3,4-b]pyridines: synthesis and activity at central monoamine receptors. Abstract: Two general synthetic approaches to a novel series of 2H-[1]benzopyrano[3,4-b]pyridines are described together with their receptor binding profile at a variety of monoamine receptors in mammalian brain tissue. The biologically active members of this series fall into into one of two broad classes: 3,4,4a,5-tetrahydro-2H-[1]benzopyrano[3,4-b]pyridines or trans-1,3,4,4a,5,10b-hexahydro-2H-[1]b... aid3705.table aid3705.tbin
3706 2 Title: (R)-11-hydroxy- and (R)-11-hydroxy-10-methylaporphine: synthesis, pharmacology, and modeling of D2A and 5-HT1A receptor interactions. Abstract: (R)-11-Hydroxyaporphine (2) and (R)-11-hydroxy-10-methylaporphine (3) were synthesized from natural morphine by using new, short, and efficient synthetic sequences. The dopaminergic and serotonergic effects of 2 and 3 were evaluated by use of in vitro and in vivo test systems. The results indicate that 3 is a potent, selective, and efficacious 5-H... aid3706.table aid3706.tbin
3707 1 Title: trans-4-[4-(Methoxyphenyl)cyclohexyl]-1-arylpiperazines: a new class of potent and selective 5-HT(1A) receptor ligands as conformationally constrained analogues of 4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-1-arylpiperazines. Abstract: The present paper concerns the influence of conformational parameters on the recognition by rat 5-HT1A receptors of derivatives 4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-1-(2-pyridinyl)piperazine (1a) and 3-(5-methoxy-1,2,3,4-... aid3707.table aid3707.tbin
3708 1 Title: trans-4-[4-(Methoxyphenyl)cyclohexyl]-1-arylpiperazines: a new class of potent and selective 5-HT(1A) receptor ligands as conformationally constrained analogues of 4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-1-arylpiperazines. Abstract: The present paper concerns the influence of conformational parameters on the recognition by rat 5-HT1A receptors of derivatives 4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-1-(2-pyridinyl)piperazine (1a) and 3-(5-methoxy-1,2,3,4-... aid3708.table aid3708.tbin
3709 6 Title: 5-[(3-nitropyrid-2-yl)amino]indoles: novel serotonin agonists with selectivity for the 5-HT1D receptor. Variation of the C3 substituent on the indole template leads to increased 5-HT1D receptor selectivity. aid3709.table aid3709.tbin
3710 1 Title: trans-4-[4-(Methoxyphenyl)cyclohexyl]-1-arylpiperazines: a new class of potent and selective 5-HT(1A) receptor ligands as conformationally constrained analogues of 4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-1-arylpiperazines. Abstract: The present paper concerns the influence of conformational parameters on the recognition by rat 5-HT1A receptors of derivatives 4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-1-(2-pyridinyl)piperazine (1a) and 3-(5-methoxy-1,2,3,4-... aid3710.table aid3710.tbin
3711 1 Title: trans-4-[4-(Methoxyphenyl)cyclohexyl]-1-arylpiperazines: a new class of potent and selective 5-HT(1A) receptor ligands as conformationally constrained analogues of 4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-1-arylpiperazines. Abstract: The present paper concerns the influence of conformational parameters on the recognition by rat 5-HT1A receptors of derivatives 4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-1-(2-pyridinyl)piperazine (1a) and 3-(5-methoxy-1,2,3,4-... aid3711.table aid3711.tbin
3712 3 Title: Effect of ring fluorination on the pharmacology of hallucinogenic tryptamines. Abstract: A series of fluorinated analogues of the hallucinogenic tryptamines N,N-diethyltryptamine (DET), 4-hydroxy-N,N-dimethyltryptamine (4-OH-DMT, psilocin), and 5-methoxy-DMT was synthesized to investigate possible explanations for the inactivity of 6-fluoro-DET as a hallucinogen and to determine the effects of fluorination on the molecular recognition and activation of these compounds at serotonin recepto... aid3712.table aid3712.tbin
3713 3 Title: Synthesis of novel 5-substituted 3-amino-3,4-dihydro-2H-1-benzopyran derivatives and their interactions with the 5-HT1A receptor. Abstract: A series of new enantiomerically pure 3-amino-3,4-dihydro-2H-1-benzopyrans (3-aminochromans) has been synthesized from (R)- and (S)-5-methoxy-3-amino-3,4-dihydro-2H-1-benzopyran. The absolute configuration of the respective (R)- and (S)-enantiomers was deduced from X-ray crystallography of (R)-3-(N-isopropylamino)-5-methoxy-3,4-dihydro-2H-1-benzopyran... aid3713.table aid3713.tbin
3714 17 Title: Synthesis of novel 5-substituted 3-amino-3,4-dihydro-2H-1-benzopyran derivatives and their interactions with the 5-HT1A receptor. Abstract: A series of new enantiomerically pure 3-amino-3,4-dihydro-2H-1-benzopyrans (3-aminochromans) has been synthesized from (R)- and (S)-5-methoxy-3-amino-3,4-dihydro-2H-1-benzopyran. The absolute configuration of the respective (R)- and (S)-enantiomers was deduced from X-ray crystallography of (R)-3-(N-isopropylamino)-5-methoxy-3,4-dihydro-2H-1-benzopyran... aid3714.table aid3714.tbin
3715 3 Title: Synthesis of novel 5-substituted 3-amino-3,4-dihydro-2H-1-benzopyran derivatives and their interactions with the 5-HT1A receptor. Abstract: A series of new enantiomerically pure 3-amino-3,4-dihydro-2H-1-benzopyrans (3-aminochromans) has been synthesized from (R)- and (S)-5-methoxy-3-amino-3,4-dihydro-2H-1-benzopyran. The absolute configuration of the respective (R)- and (S)-enantiomers was deduced from X-ray crystallography of (R)-3-(N-isopropylamino)-5-methoxy-3,4-dihydro-2H-1-benzopyran... aid3715.table aid3715.tbin
3716 15 Title: 2-(Alkylamino)tetralin derivatives: interaction with 5-HT1A serotonin binding sites. Abstract: 8-Hydroxy-2-(di-n-propylamino)tetralin (8-OH-DPAT) is a selective 5-HT1A serotonin agonist. Derivatives of 8-OH-DPAT with amine substituents larger or more bulky than n-propyl appear to be inactive in a presynaptic biochemical assay measuring agonist-induced feedback inhibition of 5-HT synthesis but have never been examined in brain binding assays. A series of N-phenylalkyl derivatives of 8-meth... aid3716.table aid3716.tbin
3717 4 Title: The thieno[3,2-c]pyridine and furo[3,2-c]pyridine rings: new pharmacophores with potential antipsychotic activity. Abstract: Two new arylpiperazine derivatives, the 4-(1-piperazinyl)thieno- and -furo[3,2-c]pyridine ring systems, have been synthesized and appended via tetramethylene chains to various imide rings. Target compounds from each series were found to have significant activity in the blockade of apomorphine stereotypy and apomorphine-induced climbing, the Sidman avoidance response... aid3717.table aid3717.tbin
3718 8 Title: The thieno[3,2-c]pyridine and furo[3,2-c]pyridine rings: new pharmacophores with potential antipsychotic activity. Abstract: Two new arylpiperazine derivatives, the 4-(1-piperazinyl)thieno- and -furo[3,2-c]pyridine ring systems, have been synthesized and appended via tetramethylene chains to various imide rings. Target compounds from each series were found to have significant activity in the blockade of apomorphine stereotypy and apomorphine-induced climbing, the Sidman avoidance response... aid3718.table aid3718.tbin
3719 80 Title: Syntheses and binding studies of new [(aryl)(aryloxy)methyl]piperidine derivatives and related compounds as potential antidepressant drugs with high affinity for serotonin (5-HT) and norepinephrine (NE) transporters. Abstract: In a wide search program toward new, efficient, and fast-acting antidepressant drugs, we have prepared series of new compounds having an (aryl)(aryloxy)methyl moiety linked directly or through a methylene chain to different substituted and unsubstituted cycles (isoq... aid3719.table aid3719.tbin
3720 1 Title: Synthesis and biological activity of the putative metabolites of the atypical antipsychotic agent tiospirone. Abstract: Putative oxidative metabolites of the lead antipsychotic agent tiospirone (1) were synthesized to assist in the identification of the authentic metabolic products found in human urine samples. Thus far, six authentic metabolites have been correlated to the synthetic species. The putative metabolites were further examined in vitro to assess their central nervous system th... aid3720.table aid3720.tbin
3721 1 Title: Synthesis and biological activity of the putative metabolites of the atypical antipsychotic agent tiospirone. Abstract: Putative oxidative metabolites of the lead antipsychotic agent tiospirone (1) were synthesized to assist in the identification of the authentic metabolic products found in human urine samples. Thus far, six authentic metabolites have been correlated to the synthetic species. The putative metabolites were further examined in vitro to assess their central nervous system th... aid3721.table aid3721.tbin
3722 7 Title: Synthesis and biological activity of the putative metabolites of the atypical antipsychotic agent tiospirone. Abstract: Putative oxidative metabolites of the lead antipsychotic agent tiospirone (1) were synthesized to assist in the identification of the authentic metabolic products found in human urine samples. Thus far, six authentic metabolites have been correlated to the synthetic species. The putative metabolites were further examined in vitro to assess their central nervous system th... aid3722.table aid3722.tbin
3723 13 Title: Synthesis and biological activity of the putative metabolites of the atypical antipsychotic agent tiospirone. Abstract: Putative oxidative metabolites of the lead antipsychotic agent tiospirone (1) were synthesized to assist in the identification of the authentic metabolic products found in human urine samples. Thus far, six authentic metabolites have been correlated to the synthetic species. The putative metabolites were further examined in vitro to assess their central nervous system th... aid3723.table aid3723.tbin
3724 1 Title: Synthesis and biological activity of the putative metabolites of the atypical antipsychotic agent tiospirone. Abstract: Putative oxidative metabolites of the lead antipsychotic agent tiospirone (1) were synthesized to assist in the identification of the authentic metabolic products found in human urine samples. Thus far, six authentic metabolites have been correlated to the synthetic species. The putative metabolites were further examined in vitro to assess their central nervous system th... aid3724.table aid3724.tbin
3725 19 Title: Structure-activity relationship studies on the 5-HT(1A) receptor affinity of 1-phenyl-4-[omega-(alpha- or beta-tetralinyl)alkyl]piperazines. 4. Abstract: The synthesis of 1-phenylpiperazines, linked in the alpha or beta position of the tetralin moiety on the terminal part of the N-4 alkyl chain, and their radioligand binding affinities for 5-HT(1A), 5-HT(2A), D-1, D-2, alpha1, and alpha2 receptors along with SAR studies on the 5-HT(1A) receptor are reported. Several changes have been carr... aid3725.table aid3725.tbin
3726 16 Title: 1-aryl-4-[(1-tetralinyl)alkyl]piperazines: alkylamido and alkylamino derivatives. Synthesis, 5-HT1A receptor affinity, and selectivity. 3. Abstract: The synthesis and binding profile on 5-HT1A, 5-HT2, D-1, D-2, alpha 1, and alpha 2 receptors of the N-4 long-chain arylpiperazines 22-40 are reported, where an amino or amido function is inserted into the intermediate chain linked to the alpha position of the tetralin nucleus. Unlike the buspirone analogues, for the amido derivatives studied ... aid3726.table aid3726.tbin
3727 10 Title: 1-aryl-4-[(1-tetralinyl)alkyl]piperazines: alkylamido and alkylamino derivatives. Synthesis, 5-HT1A receptor affinity, and selectivity. 3. Abstract: The synthesis and binding profile on 5-HT1A, 5-HT2, D-1, D-2, alpha 1, and alpha 2 receptors of the N-4 long-chain arylpiperazines 22-40 are reported, where an amino or amido function is inserted into the intermediate chain linked to the alpha position of the tetralin nucleus. Unlike the buspirone analogues, for the amido derivatives studied ... aid3727.table aid3727.tbin
3728 25 Title: (R)-1,2,3,4-tetrahydro[1]benzothieno[2,3-c]pyridines: novel optically active compounds with strong 5-HT1A receptor binding ability exhibiting anticonflict activity and lessening of memory impairment. Abstract: (R)-1,2,3,4-Tetrahydro[1]benzothieno[2,3-c]pyridine derivatives (60-114) were synthesized. The (R)-isomers have affinity for the 5-HT1A receptor while the (S)-isomers have no such ability. The affinity of the (R)-isomers was discussed on the basis of structure-activity relationships... aid3728.table aid3728.tbin
3729 6 Title: New 5-HT1A receptor agonists possessing 1,4-benzoxazepine scaffold exhibit highly potent anti-ischemic effects. Abstract: A series of new 3-substituted-4-(4-aminobutyl)-1,4-benzoxazepin-5(4H)-one derivatives (1-5) which showed a very high affinity for 5-HT1A receptor with good selectivity over dopamine D2 receptor was synthesized. Among these compounds, 3-chloro-4-[4-[4-(2-pyridinyl)-1,2,3,6-tetrahydropyridin-1-yl]butyl]-1,4-benzoxazepin-5(4H)-one (5: SUN N4057) exhibited remarkable neuro... aid3729.table aid3729.tbin
3730 58 Title: Structure-activity relationships of a series of novel (piperazinylbutyl)thiazolidinone antipsychotic agents related to 3-[4-[4-(6-fluorobenzo[b]thien-3-yl)-1-piperazinyl]butyl]-2,5,5- trimethyl-4-thiazolidinone maleate. Abstract: HP-236 (3-[4-[4-(6-Fluorobenzo[b]thien-3-yl)-1-piperazinyl]butyl]-2,5,5- trimethyl-4-thiazolidinone maleate; P-9236) (54) displayed a pharmacological profile indicative of potential atypical antipsychotic activity. A series of piperazinyl butyl thiazolidinones st... aid3730.table aid3730.tbin
3731 6 Title: 5-[(3-nitropyrid-2-yl)amino]indoles: novel serotonin agonists with selectivity for the 5-HT1D receptor. Variation of the C3 substituent on the indole template leads to increased 5-HT1D receptor selectivity. aid3731.table aid3731.tbin
3732 4 Title: Novel [(diazomethyl)carbonyl]-1,2,3,4-tetrahydronaphthalene derivatives as potential photoaffinity ligands for the 5-HT1A receptor. Abstract: The photolabile (diazomethyl)carbonyl function was introduced into the 8-position of 2-(N,N-di-n-propyl-amino)-1,2,3,4-tetrahydronaphthalene in three ways, resulting in the ether 8-[[(diazomethyl)carbonyl]methoxy]-2-(N,N-di-n-propylamino)-1,2,3,4- tetrahydronaphthalene (2), the ester 8-(diazoacetoxy)-2-(N,N-di-n-propyl-amino)-1,2,3,4- tetrahydronaph... aid3732.table aid3732.tbin
3733 3 Title: Novel [(diazomethyl)carbonyl]-1,2,3,4-tetrahydronaphthalene derivatives as potential photoaffinity ligands for the 5-HT1A receptor. Abstract: The photolabile (diazomethyl)carbonyl function was introduced into the 8-position of 2-(N,N-di-n-propyl-amino)-1,2,3,4-tetrahydronaphthalene in three ways, resulting in the ether 8-[[(diazomethyl)carbonyl]methoxy]-2-(N,N-di-n-propylamino)-1,2,3,4- tetrahydronaphthalene (2), the ester 8-(diazoacetoxy)-2-(N,N-di-n-propyl-amino)-1,2,3,4- tetrahydronaph... aid3733.table aid3733.tbin
3734 34 Title: 3,4-Dihydro-3-amino-2H-1-benzopyran derivatives as 5-HT1A receptor ligands and potential anxiolytic agents. 1. Synthesis and structure--activity relationship studies. Abstract: A series of 3,4-dihydro-3-amino-2H-1-benzopyran derivatives were prepared in order to determine the necessary structural requirements for good affinity for 5-HT1A receptors and high selectivity versus other receptors. Modifications of the extracyclic amino substituents, the length of the alkyl side chains, and thei... aid3734.table aid3734.tbin
3735 3 Title: N-[2-[4-(4-Chlorophenyl)piperazin-1-yl]ethyl]-3-methoxybenzamide: a potent and selective dopamine D4 ligand. Abstract: A series of new 1-aryl-4-alkylpiperazines containing a terminal benzamide fragment or a tetralin-1-yl nucleus on the alkyl chain were synthesized and tested for binding at cloned human dopamine D4 and D2 receptor subtypes. A SAFIR (structure-affinity relationship) study on this series is herein discussed. The most relevant D4 receptor affinities were displayed by N-[omega... aid3735.table aid3735.tbin
3736 8 Title: 1-Naphthylpiperazine derivatives as potential atypical antipsychotic agents. Abstract: The design and synthesis of a series of potential atypical antipsychotic agents based on the structure of 1-naphthylpiperazine are described. The incorporation of dopamine antagonist activity into the parent structure was achieved with heterocyclic surrogates for the catechol moiety of dopamine. Compound 4b from this series showed a biochemical profile that translated to behavioral activity in the rat p... aid3736.table aid3736.tbin
3737 6 Title: 1-Naphthylpiperazine derivatives as potential atypical antipsychotic agents. Abstract: The design and synthesis of a series of potential atypical antipsychotic agents based on the structure of 1-naphthylpiperazine are described. The incorporation of dopamine antagonist activity into the parent structure was achieved with heterocyclic surrogates for the catechol moiety of dopamine. Compound 4b from this series showed a biochemical profile that translated to behavioral activity in the rat p... aid3737.table aid3737.tbin
3738 18 Title: 3-amino-3,4-dihydro-2H-1-benzopyran derivatives as 5-HT1A receptor ligands and potential anxiolytic agents. 2. Synthesis and quantitative structure-activity relationship studies of spiro[pyrrolidine- and piperidine-2,3'(2'H)-benzopyrans]. Abstract: In continuation of our work on 3-amino-3,4-dihydro-2H-1-benzopyran derivatives with high affinity for 5-HT1A receptors, we have prepared rigid spirobenzopyran analogues designed from the pharmacophore models of Mellin and selected via a quantit... aid3738.table aid3738.tbin
3739 6 Title: 1-(2-Aminoethyl)-3-methyl-8,9-dihydropyrano[3,2-e]indole: a rotationally restricted phenolic analog of the neurotransmitter serotonin and agonist selective for serotonin (5-HT2-type) receptors. Abstract: A series of rotationally restricted phenolic analogs of the neurotransmitter serotonin has been synthesized with the 5-hydroxyindole portion of serotonin replaced by a dihydropyrano[3,2-e]-indole (1, 3, 4, and 5) and a dihydropyrano[2,3-f]indole (2). The receptor binding profile of these ... aid3739.table aid3739.tbin
3740 3 Compound was evaluated for its ability to displace [3H]8-OH-DPAT from serotonin 5-hydroxytryptamine 1A receptor in rat cerebral cortex membranes aid3740.table aid3740.tbin
3741 24 Title: Serotonergic ergoline derivatives. Abstract: Novel classes of 13- and 14-tertbutyl-ergoline derivatives were prepared, and characterised in vitro for their affinity for adrenergic, dopaminergic and serotonergic binding sites. This study particularly examines the importance of the presence and the position of the tert-butyl group in conferring either significant 5-HT1A or 5-HT2 affinity and selectivity respectively. aid3741.table aid3741.tbin
3742 19 Title: 5-HT reuptake inhibitors with 5-HT(1B/1D) antagonistic activity: a new approach toward efficient antidepressants. Abstract: As part of our research program toward new, potential antidepressants, a series of unsymmetrical ureas has been prepared and evaluated as 5-HT reuptake inhibitors with 5-HT(1B/1D) antagonistic activities. The design of these compounds was based on coupling of various indole derivatives, previously shown to inhibit 5-HT reuptake, to three different aniline moieties, w... aid3742.table aid3742.tbin
3743 28 Title: Synthesis and biological evaluation of a series of substituted N-alkoxyimides and -amides as potential atypical antipsychotic agents. Abstract: In a continuing program to discover antipsychotic agents with a reduced propensity toward extrapyramidal side-effects, a series of N-alkoxyimides and -amides was prepared. Evaluation of these compounds in vitro revealed affinities for D2, 5HT2 and 5HT1A receptors. Several members of the series displayed a profile indicative of potential antipsycho... aid3743.table aid3743.tbin
3744 21 Title: Effect of linking bridge modifications on the antipsychotic profile of some phthalimide and isoindolinone derivatives. Abstract: A series of phthalimide and isoindolinone derivatives bridged to 4-(1,2-benzisothiazol-3-yl)-1-piperazinyl was prepared. The compounds were evaluated in vitro at dopamine D2 and serotonin 5-HT1a and 5-HT2 receptors and in vivo for their ability to antagonize the apomorphine-induced climbing response in mice. The effects of bridge length and conformation on the b... aid3744.table aid3744.tbin
3745 20 Title: 1-aryl-4-[(5-methoxy-1,2,3, 4-tetrahydronaphthalen-1-yl)alkyl]piperazines and their analogues: influence of the stereochemistry of the tetrahydronaphthalen-1-yl nucleus on 5-HT1A receptor affinity and selectivity versus alpha1 and D2 receptors. 5. Abstract: Some 1-aryl-4-[(5-methoxy-1,2,3, 4-tetrahydronaphthalen-1-yl)-n-propyl]piperazines and their alkylamino and alkylamido analogues, previously studied as 5-HT1A ligands, were prepared in enantiomerically pure form, and their absolute con... aid3745.table aid3745.tbin
3746 1 Title: Synthesis and biological evaluation of a series of substituted N-alkoxyimides and -amides as potential atypical antipsychotic agents. Abstract: In a continuing program to discover antipsychotic agents with a reduced propensity toward extrapyramidal side-effects, a series of N-alkoxyimides and -amides was prepared. Evaluation of these compounds in vitro revealed affinities for D2, 5HT2 and 5HT1A receptors. Several members of the series displayed a profile indicative of potential antipsycho... aid3746.table aid3746.tbin
3747 1 Title: 2H-[1]benzopyrano[3,4-b]pyridines: synthesis and activity at central monoamine receptors. Abstract: Two general synthetic approaches to a novel series of 2H-[1]benzopyrano[3,4-b]pyridines are described together with their receptor binding profile at a variety of monoamine receptors in mammalian brain tissue. The biologically active members of this series fall into into one of two broad classes: 3,4,4a,5-tetrahydro-2H-[1]benzopyrano[3,4-b]pyridines or trans-1,3,4,4a,5,10b-hexahydro-2H-[1]b... aid3747.table aid3747.tbin
3748 14 Title: 2H-[1]benzopyrano[3,4-b]pyridines: synthesis and activity at central monoamine receptors. Abstract: Two general synthetic approaches to a novel series of 2H-[1]benzopyrano[3,4-b]pyridines are described together with their receptor binding profile at a variety of monoamine receptors in mammalian brain tissue. The biologically active members of this series fall into into one of two broad classes: 3,4,4a,5-tetrahydro-2H-[1]benzopyrano[3,4-b]pyridines or trans-1,3,4,4a,5,10b-hexahydro-2H-[1]b... aid3748.table aid3748.tbin
3749 4 Title: Central dopaminergic and 5-hydroxytryptaminergic effects of C3-methylated derivatives of 8-hydroxy-2-(di-n-propylamino)tetralin. Abstract: A number of stereochemically well defined C3-methylated derivatives of the potent 5-hydroxytryptamine (5-HT) receptor agonist 8-hydroxy-2-(di-n-propylamino)tetralin (8-OH-DPAT) have been synthesized, and their stereochemical characteristics have been studies by use of NMR spectroscopy, X-ray crystallography, and molecular mechanics calculations. The co... aid3749.table aid3749.tbin
3750 1 Title: Central dopaminergic and 5-hydroxytryptaminergic effects of C3-methylated derivatives of 8-hydroxy-2-(di-n-propylamino)tetralin. Abstract: A number of stereochemically well defined C3-methylated derivatives of the potent 5-hydroxytryptamine (5-HT) receptor agonist 8-hydroxy-2-(di-n-propylamino)tetralin (8-OH-DPAT) have been synthesized, and their stereochemical characteristics have been studies by use of NMR spectroscopy, X-ray crystallography, and molecular mechanics calculations. The co... aid3750.table aid3750.tbin
3751 15 Title: Mixed 5-HT1A/D-2 activity of a new model of arylpiperazines: 1-aryl-4-[3-(1,2-dihydronaphthalen-4-yl)-n-propyl]piperazines. 1. Synthesis and structure-activity relationships. Abstract: A new model of 4-alkyl-1-arylpiperazines containing a terminal dihydronaphthalene fragment on the alkyl chain was synthesized in order to have mixed serotonergic and dopaminergic activity and to pursue the recent alternative approaches to the discovery of novel antipsychotic and anxiolytic agents. Title com... aid3751.table aid3751.tbin
3752 8 Title: Synthesis and in vitro and in vivo functional studies of ortho-substituted phenylpiperazine and N-substituted 4-N-(o-methoxyphenyl)aminopiperidine analogues of WAY100635. Abstract: WAY100635 (2), N-[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]-N-(2-pyridinyl)cyclohe xanecarboxamide, is a silent serotonin 5-HT(1A) antagonist, which is now widely used to study the 5-HT(1A) receptor both in vivo and in vitro. In this paper, we describe the synthesis and in vitro (5-HT(1A) affinity and pA(2) v... aid3752.table aid3752.tbin
3753 1 Title: Resolved 6,7,8,9-tetrahydro-N,N-dimethyl-3H-benz[e]indol-8-amine: central dopamine and serotonin receptor stimulating properties. Abstract: The enantiomers of 6,7,8,9-tetrahydro-N,N-dimethyl-3H-benz[e]indol-8- amine (1a) were prepared and tested for their actions on central dopamine and serotonin (5-HT) receptors. The dopaminergic effects were shown to reside in the (1)-R enantiomer. It was shown that compound 1a and its (+)-R enantiomer possess potent central 5-HT1A receptor stimulating ... aid3753.table aid3753.tbin
3754 3 Title: Resolved 6,7,8,9-tetrahydro-N,N-dimethyl-3H-benz[e]indol-8-amine: central dopamine and serotonin receptor stimulating properties. Abstract: The enantiomers of 6,7,8,9-tetrahydro-N,N-dimethyl-3H-benz[e]indol-8- amine (1a) were prepared and tested for their actions on central dopamine and serotonin (5-HT) receptors. The dopaminergic effects were shown to reside in the (1)-R enantiomer. It was shown that compound 1a and its (+)-R enantiomer possess potent central 5-HT1A receptor stimulating ... aid3754.table aid3754.tbin
3755 1 Title: Resolved 6,7,8,9-tetrahydro-N,N-dimethyl-3H-benz[e]indol-8-amine: central dopamine and serotonin receptor stimulating properties. Abstract: The enantiomers of 6,7,8,9-tetrahydro-N,N-dimethyl-3H-benz[e]indol-8- amine (1a) were prepared and tested for their actions on central dopamine and serotonin (5-HT) receptors. The dopaminergic effects were shown to reside in the (1)-R enantiomer. It was shown that compound 1a and its (+)-R enantiomer possess potent central 5-HT1A receptor stimulating ... aid3755.table aid3755.tbin
3756 20 Title: Synthesis and pharmacological evaluation of 1-[(1,2-diphenyl-1H-4-imidazolyl)methyl]-4-phenylpiperazines with clozapine-like mixed activities at dopamine D(2), serotonin, and GABA(A) receptors. Abstract: A series of 18 1-[(1,2-diphenyl-1H-4-imidazolyl)methyl]-4-piperazines (1a-r) were designed and synthesized as possible ligands with mixed dopamine (DA) D(2)/serotonin 5-HT(1A) affinity, with the aim of identifying novel compounds with neurochemical and pharmacological properties similar t... aid3756.table aid3756.tbin
3757 31 Title: High affinity and selectivity on 5-HT1A receptor of 1-aryl-4-[1-tetralin)alkyl]piperazines. 2. Abstract: Several 4-alkyl-1-arylpiperazines that present a tetralin moiety on the terminal part of the side chain were synthesized in order to increase the selectivity on the 5-HT1A versus D-2, alpha 1, sigma, and other 5-HT receptors. Many changes have been effected on previous structures of type 3(1-aryl-4-[3-(1,2-dihydronaphthalen-4-yl)-n-propyl]piperazines). Several synthetic procedures were... aid3757.table aid3757.tbin
3758 2 Title: Derivatives of 4-(2'-methoxyphenyl)-1-[2'-(N-2&quot;-pyridinyl-p-iodobenzamido)ethyl]pipera zine (p-MPPI) as 5-HT1A ligands. Abstract: A series of new p-alkylbenzamido derivatives of 4-(2'-methoxyphenyl)-1-[2'-(N-2&quot;-pyridinyl)-p- iodobenzamido)ethyl]piperazines (p-MPPI) were prepared. In vitro binding studies suggest that p-methyl and p-ethyl substituents on the benzamido group display the same high binding affinity to 5-HT1A receptors (Ki = 2.2 and 9.3 nM, rat hippocampal homogenate... aid3758.table aid3758.tbin
3759 4 Title: (S)-N-tert-butyl-3-(4-(2-methoxyphenyl)-piperazin-1-yl)-2-phenylpropanamide [(S)-WAY-100135]: a selective antagonist at presynaptic and postsynaptic 5-HT1A receptors. aid3759.table aid3759.tbin
3760 18 Title: Cyclic benzamides as mixed dopamine D2/serotonin 5-HT2 receptor antagonists: potential atypical antipsychotic agents. Abstract: A series of novel 4-(4-(1,2-benzisothiazol-3-yl)-1-piperazinyl)butyl) cyclic amides was prepared and evaluated as potential antipsychotic agents. The target compounds were examined in vitro for their binding affinities to the dopamine D2, serotonin 5-HT2, and serotonin 5-HT1a receptors and in vivo for their ability to antagonize the apomorphine-induced climbing r... aid3760.table aid3760.tbin
3761 45 Title: Structure-activity relationships of a series of substituted benzamides: potent D2/5-HT2 antagonists and 5-HT1a agonists as neuroleptic agents. Abstract: A series of substituted (4-(4-(1,2-benzisothiazol-3-yl)-1-piperazinyl)butyl)benzamide derivatives was prepared and evaluated as potential atypical antipsychotic agents. The target compounds were readily prepared from their benzoyl chloride, benzoic acid, or isatoic anhydride precursors, and they were evaluated in vitro for their ability t... aid3761.table aid3761.tbin
3762 28 Title: [[(Arylpiperazinyl)alkyl]thio]thieno[2,3-d]pyrimidinone derivatives as high-affinity, selective 5-HT1A receptor ligands. Abstract: A series of 2-[[(4-aryl-1-piperazinyl)alkyl]thio]thieno[2,3-d]pyrimidin-4 (1H)-one and 3-substituted 2-[[(4-aryl-1-piperazinyl)alky]thio]thieno[2,3-d]pyrimidin-4 (3H)-one derivatives was prepared and evaluated for in vitro 5-HT1A receptor affinity by radioligand binding assays; the selectivity for 5-HT1A receptors rather than alpha 1-adrenoceptors was also exa... aid3762.table aid3762.tbin
3763 1 Title: N-[2-[(substituted chroman-8-yl)oxy]ethyl]-4-(4-methoxyphenyl)butylamines: synthesis and wide range of antagonism at the human 5-HT1A receptor. Abstract: A series of N-[2-[(substituted chroman-8-yl)oxy]ethyl]-4-(4-methoxyphenyl)butylamines was prepared and examined for their 5-HT1A receptor antagonist activity. The parent compound 3a and seven analogs bearing five kinds of substituents on the chroman ring were prepared from the corresponding 8-hydroxychroman intermediates. Radioligand bin... aid3763.table aid3763.tbin
3764 1 Title: Synthesis, pharmacological evaluation, and structure-activity relationship and quantitative structure-activity relationship studies on novel derivatives of 2,4-diamino-6,7-dimethoxyquinazoline alpha1-adrenoceptor antagonists. Abstract: A new series of novel piperazine and non-piperazine derivatives of 2, 4-diamino-6,7-dimethoxyquinazoline was synthesized and evaluated for binding affinity toward alpha1-adrenergic and other G-protein-coupled aminergic receptors. The alpha1-adrenoceptor (AR... aid3764.table aid3764.tbin
3765 26 Title: Synthesis, pharmacological evaluation, and structure-activity relationship and quantitative structure-activity relationship studies on novel derivatives of 2,4-diamino-6,7-dimethoxyquinazoline alpha1-adrenoceptor antagonists. Abstract: A new series of novel piperazine and non-piperazine derivatives of 2, 4-diamino-6,7-dimethoxyquinazoline was synthesized and evaluated for binding affinity toward alpha1-adrenergic and other G-protein-coupled aminergic receptors. The alpha1-adrenoceptor (AR... aid3765.table aid3765.tbin
3766 8 Title: Synthesis and molecular modeling of new 1-aryl-3-[4-arylpiperazin-1-yl]-1-propane derivatives with high affinity at the serotonin transporter and at 5-HT(1A) receptors. Abstract: It has been proposed that 5-HT(1A) receptor antagonists augment the antidepressant efficacy of selective serotonin (5-HT) reuptake inhibitors. In a search toward new and efficient antidepressants, 1-(aryl)-3-[4-arylpiperazin-1-yl]-1-propane molecular hybrids were designed, synthesized, and evaluated for 5-HT reup... aid3766.table aid3766.tbin
3767 8 Title: Synthesis and binding studies of some epibatidine analogues. Abstract: A series of epibatidine analogues and their positional isomers bearing an 8-azabicyclo[3.2.1]octane moiety is described. Some of the compounds, especially those containing 8-azabicyclo[3.2.1]oct-2-ene moiety show high affinity for the nicotinic cholinergic receptor. aid3767.table aid3767.tbin
3768 4 Title: New benzocycloalkylpiperazines, potent and selective 5-HT1A receptor ligands. Abstract: A series of 1-(benzocycloalkyl)-4-(benzamidolkyl)piperazine derivatives was prepared in order to obtain compounds with a high affinity and selectivity for 5-HT1A receptors. The modifications of aromatic substituents, the length of the alkyl chain, and the size of the ring were explored. Most of N-(1,2,3,4-tetrahydronaphthyl)-N'-(benzamidoethyl)piperazines (32-37) were bound to 5-HT1A receptors in a nan... aid3768.table aid3768.tbin
3769 2 Title: New benzocycloalkylpiperazines, potent and selective 5-HT1A receptor ligands. Abstract: A series of 1-(benzocycloalkyl)-4-(benzamidolkyl)piperazine derivatives was prepared in order to obtain compounds with a high affinity and selectivity for 5-HT1A receptors. The modifications of aromatic substituents, the length of the alkyl chain, and the size of the ring were explored. Most of N-(1,2,3,4-tetrahydronaphthyl)-N'-(benzamidoethyl)piperazines (32-37) were bound to 5-HT1A receptors in a nan... aid3769.table aid3769.tbin
3770 6 Title: Novel and highly potent 5-HT3 receptor agonists based on a pyrroloquinoxaline structure. Abstract: The synthesis and the biological evaluation of a series of novel pyrroloquinoxaline derivatives are described. In binding studies several compounds proved to be potent and selective 5-HT3 receptor ligands. The most active pyrroloquinoxalines, 11d and 11e, showed a subnanomolar affinity for 5-HT3 receptor and were able to functionally discriminate the central and peripheral 5-HT3 receptor, be... aid3770.table aid3770.tbin
3771 13 Title: 3-(1,2,5,6-Tetrahydropyrid-4-yl)pyrrolo[3,2-b]pyrid-5-one: a potent and selective serotonin (5-HT1B) agonist and rotationally restricted phenolic analogue of 5-methoxy-3-(1,2,5,6-tetrahydropyrid-4-yl)indole. Abstract: The synthesis and in vitro and in vivo characteristics of 3-(1,2,5,6-tetrahydropyrid-4-yl)pyrrolo[3,2-b]pyrid-5-one (1, CP-93,129) are described. This rotationally restricted phenolic analogue of RU-24,969 is a potent (15 nM) and selective (200x vs the 5-HT1A receptor, 150x ... aid3771.table aid3771.tbin
3772 1 Title: Synthesis and evaluation of 4-(2'-methoxyphenyl)-1-[2'-[N-(2&quot;-pyridinyl)-p- iodobenzamido]ethyl]piperazine (p-MPPI): a new iodinated 5-HT1A ligand. aid3772.table aid3772.tbin
3773 10 Inhibitory activity against 5-hydroxytryptamine 1A receptor subtype aid3773.table aid3773.tbin
3774 1 Title: Synthesis and structure-activity relationships of N-propyl-N-(4-pyridinyl)-1H-indol-1-amine (besipirdine) and related analogs as potential therapeutic agents for Alzheimer's disease. Abstract: A series of novel N-(4-pyridinyl)-1H-indol-1-amines and other heteroaryl analogs was synthesized and evaluated in tests to determine potential utility for the treatment of Alzheimer's disease. From these compounds, N-propyl-N-(4-pyridinyl)-1H-indol-1-amine (besipirdine, 4c) was selected for clinical... aid3774.table aid3774.tbin
3775 3 Title: Studies toward the discovery of the next generation of antidepressants. 3. Dual 5-HT1A and serotonin transporter affinity within a class of N-aryloxyethylindolylalkylamines. Abstract: N-aryloxylethylindolealkylamines (5) having dual 5-HT transporter and 5-HT(1A) affinity are described. These compounds represent truncated analogues of our previously reported piperidinyl derivatives (3). Compounds in this investigation were found to have more similar affinities and functional activities for... aid3775.table aid3775.tbin
3776 6 Title: Studies toward the discovery of the next generation of antidepressants. 3. Dual 5-HT1A and serotonin transporter affinity within a class of N-aryloxyethylindolylalkylamines. Abstract: N-aryloxylethylindolealkylamines (5) having dual 5-HT transporter and 5-HT(1A) affinity are described. These compounds represent truncated analogues of our previously reported piperidinyl derivatives (3). Compounds in this investigation were found to have more similar affinities and functional activities for... aid3776.table aid3776.tbin
3777 1 Title: Studies toward the discovery of the next generation of antidepressants. 3. Dual 5-HT1A and serotonin transporter affinity within a class of N-aryloxyethylindolylalkylamines. Abstract: N-aryloxylethylindolealkylamines (5) having dual 5-HT transporter and 5-HT(1A) affinity are described. These compounds represent truncated analogues of our previously reported piperidinyl derivatives (3). Compounds in this investigation were found to have more similar affinities and functional activities for... aid3777.table aid3777.tbin
3778 1 Title: A series of 6- and 7-piperazinyl- and -piperidinylmethylbenzoxazinones with dopamine D4 antagonist activity: discovery of a potential atypical antipsychotic agent. Abstract: As part of a program to develop dopamine D4 antagonists for the treatment of schizophrenia, we discovered a series of 6- and 7-(phenylpiperazinyl)- and -(phenylpiperidinyl)methylbenzoxazinones through mass screening of our compound library. A structure-activity relationship SAR study was carried out involving substitu... aid3778.table aid3778.tbin
3779 1 Title: Synthesis and pharmacological testing of 1,2,3,4,10,14b-hexahydro-6-methoxy-2-methyldibenzo[c,f]pyrazino[1,2-a]azepin and its enantiomers in comparison with the two antidepressants mianserin and mirtazapine. Abstract: The synthesis and resolution of 1,2,3,4,10,14b-hexahydro-6-methoxy-2-methyldibenzo[c,f]pyrazino[1,2-a]azepin (6-methoxymianserin, 6) are described. Furthermore, the in vitro and in vivo effects of 6 and its enantiomers are presented. 6 displayed high affinity for the 5-HT2A/... aid3779.table aid3779.tbin
3780 4 Title: Modulation of selective serotonin reuptake inhibitor and 5-HT1A antagonist activity in 8-aza-bicyclo[3.2.1]octane derivatives of 2,3-dihydro-1,4-benzodioxane. Abstract: 2,3-Dihydro-1,4-benzodioxanes with aryl 8-aza-bicyclo[3.2.1]oct-3-ene attachments 2 produce compounds with potent 5-HT-T affinity, and weak 5-HT(1A) affinity and alpha(1) affinity. This compares with 2,3-dihydro-1,4-benzodioxanes containing 8-aza-bicyclo[3.2.1] octan-3-ol attachments 4 which possess potent 5-HT(1A) affinit... aid3780.table aid3780.tbin
3781 2 Title: 1,2,5-Thiadiazole derivatives are potent and selective ligands at human 5-HT1A receptors. Abstract: Amino acid derivatives of 1,2,5-thiadiazol-3-yl-piperazine related to (+)-WAY-100135 and WAY-100635 are potent 5-HT1A receptor agonists and antagonists, which have selective affinity for 5-HT1A receptors versus alpha1 and dopamine (D2, D3, and D4) receptors. aid3781.table aid3781.tbin
3782 7 Title: Design, synthesis, and structure-activity relationships of phthalimide-phenylpiperazines: a novel series of potent and selective alpha(1)(a)-adrenergic receptor antagonists. Abstract: Beginning from the screening hit and literature alpha(1)-adrenergic compounds, a hybridized basic skeleton A was proposed as the pharmacophore for potent and selective alpha(1a)-AR antagonists. Introduction of a hydroxy group to increase the flexibility afforded B which served as the screening model and resu... aid3782.table aid3782.tbin
3783 1 Title: 6-Bicyclopiperazinyl-1-arylsulfonylindoles and 6-bicyclopiperidinyl-1-arylsulfonylindoles derivatives as novel, potent, and selective 5-HT6 receptor antagonists. Abstract: A novel series of 6-bicyclopiperazinyl-1-arylsulfonylindoles and 6-bicyclopiperidinyl-1-arylsulfonylindoles derivatives was synthesized and found to be potent and selective 5-HT6 receptor antagonists. aid3783.table aid3783.tbin
3784 3 Title: Advances Toward new antidepressants beyond SSRIs: 1-aryloxy-3-piperidinylpropan-2-ols with dual 5-HT(1A) receptor antagonism/SSRI activities. Part 2. Abstract: Potent 5-HT1A/SSRIs at low nanomolar and subnanomolar concentrations were identified in a series of 1-(1H-indol-4-yloxy)-3-(4-benzo[b]thiophen-2-ylpiperidinyl)propan-2-ols. Incorporation of an alpha-Me group in the piperidine ring with its specific stereochemistry enhanced binding affinity at the 5-HT reuptake site and in vitro 5-H... aid3784.table aid3784.tbin
3785 2 Title: Modulation of selective serotonin reuptake inhibitor and 5-HT1A antagonist activity in 8-aza-bicyclo[3.2.1]octane derivatives of 2,3-dihydro-1,4-benzodioxane. Abstract: 2,3-Dihydro-1,4-benzodioxanes with aryl 8-aza-bicyclo[3.2.1]oct-3-ene attachments 2 produce compounds with potent 5-HT-T affinity, and weak 5-HT(1A) affinity and alpha(1) affinity. This compares with 2,3-dihydro-1,4-benzodioxanes containing 8-aza-bicyclo[3.2.1] octan-3-ol attachments 4 which possess potent 5-HT(1A) affinit... aid3785.table aid3785.tbin
3786 2 Title: Advances toward new antidepressants beyond SSRIs: 1-aryloxy-3-piperidinylpropan-2-ols with dual 5-HT1A receptor antagonism/SSRI activities. Part 1. Abstract: A series of 1-aryloxy-3-piperidinylpropan-2-ols possessing potent dual 5-HT(1A) receptor antagonism and serotonin reuptake inhibition was discovered. 1-(1H-Indol-4-yloxy)-3-(4-benzo[b]thiophen-2-ylpiperidinyl)propan-2-ols exhibited selective and high affinity at the 5-HT(1A) receptor and serotonin reuptake inhibition at nanomolar con... aid3786.table aid3786.tbin
3787 1 Title: Cycloalkyl[b][1,4]benzodiazepinoindoles are agonists at the human 5-HT2C receptor. Abstract: Evaluation of selected compounds from our Corporate Compound Library in a human 5-HT(2C) receptor binding assay led to the discovery of WAY-629, a cyclohexyl[b][1,4]benzodiazepinoindole (K(i) 56 nM, E(max) 90%), which is selective for the 5-HT(2C) receptor versus other serotonin receptor subtypes, and dopamine, histamine, adrenergic, and muscarinic receptors. In addition, WAY-629 was active in viv... aid3787.table aid3787.tbin
3788 3 Title: A novel ergot alkaloid as a 5-HT(1A) inhibitor produced by Dicyma sp. Abstract: In the course of a search for small-molecule inhibitors of 5-hydroxytryptamine receptors we have identified a novel ergoline derivative (1) from the fungal culture of Dicyma sp. This compound has a pK(i) of 10.2 versus the 5-hydroxytryptamine(1A) receptor subtype. The structure was elucidated by extensive NMR spectroscopy and mass spectrometry. aid3788.table aid3788.tbin
3789 1 Title: Computer-aided design and synthesis of 5-substituted tryptamines and their pharmacology at the 5-HT1D receptor: discovery of compounds with potential anti-migraine properties. Abstract: The design and synthesis of a series of novel 5-substituted tryptamines with pharmacological activity at 5-HT1D and other monoamine receptors is described. Structural modifications of N- and C-linked (principally hydantoin) analogues at the 5-position were synthesized and their pharmacological activities w... aid3789.table aid3789.tbin
3790 1 Title: Effect of ring fluorination on the pharmacology of hallucinogenic tryptamines. Abstract: A series of fluorinated analogues of the hallucinogenic tryptamines N,N-diethyltryptamine (DET), 4-hydroxy-N,N-dimethyltryptamine (4-OH-DMT, psilocin), and 5-methoxy-DMT was synthesized to investigate possible explanations for the inactivity of 6-fluoro-DET as a hallucinogen and to determine the effects of fluorination on the molecular recognition and activation of these compounds at serotonin recepto... aid3790.table aid3790.tbin
3791 19 Title: Advances Toward new antidepressants beyond SSRIs: 1-aryloxy-3-piperidinylpropan-2-ols with dual 5-HT(1A) receptor antagonism/SSRI activities. Part 2. Abstract: Potent 5-HT1A/SSRIs at low nanomolar and subnanomolar concentrations were identified in a series of 1-(1H-indol-4-yloxy)-3-(4-benzo[b]thiophen-2-ylpiperidinyl)propan-2-ols. Incorporation of an alpha-Me group in the piperidine ring with its specific stereochemistry enhanced binding affinity at the 5-HT reuptake site and in vitro 5-H... aid3791.table aid3791.tbin
3792 5 Title: Advances Toward new antidepressants beyond SSRIs: 1-aryloxy-3-piperidinylpropan-2-ols with dual 5-HT(1A) receptor antagonism/SSRI activities. Part 2. Abstract: Potent 5-HT1A/SSRIs at low nanomolar and subnanomolar concentrations were identified in a series of 1-(1H-indol-4-yloxy)-3-(4-benzo[b]thiophen-2-ylpiperidinyl)propan-2-ols. Incorporation of an alpha-Me group in the piperidine ring with its specific stereochemistry enhanced binding affinity at the 5-HT reuptake site and in vitro 5-H... aid3792.table aid3792.tbin
3793 29 Title: Synthesis and structure-affinity relationship investigations of 5-heteroaryl-substituted analogues of the antipsychotic sertindole. A new class of highly selective alpha(1) adrenoceptor antagonists. Abstract: A new class of 5-heteroaryl-substituted 1-(4-fluorophenyl)-3-(4-piperidinyl)-1H-indoles as highly selective and potentially CNS-active alpha 1-adrenoceptor antagonists is described. The compounds are derived from the antipsychotic sertindole. The structure-affinity relationships of t... aid3793.table aid3793.tbin
3794 6 Title: 1,2,5-Thiadiazole derivatives are potent and selective ligands at human 5-HT1A receptors. Abstract: Amino acid derivatives of 1,2,5-thiadiazol-3-yl-piperazine related to (+)-WAY-100135 and WAY-100635 are potent 5-HT1A receptor agonists and antagonists, which have selective affinity for 5-HT1A receptors versus alpha1 and dopamine (D2, D3, and D4) receptors. aid3794.table aid3794.tbin
3795 1 Title: (+/-)8-Amino-5,6,7,8-tetrahydroisoquinolines as novel antinociceptive agents. Abstract: Several amine-substituted 8-amino-5,6,7,8-tetrahydroisoquinolines were examined as conformationally-constrained analogs of the nicotinic cholinergic (nACh) 3-(aminomethyl)pyridines. Although these ligands failed to bind at nACh receptors, the N-ethyl-N-methyl analog 3d was found to be at least equipotent with nicotine in rodent tests of antinociception. The mechanism of action of 3d is currently unknow... aid3795.table aid3795.tbin
3796 3 Title: A novel fluorinated tryptamine with highly potent serotonin 5-HT1A receptor agonist properties. Abstract: Synthesis and biological evaluation of a novel fluorinated tryptamine analogue are described. This new compound 1-(4-fluoro-5-methoxyindol-3-yl)pyrrolidine (2) was found to be a potent serotonin 5-HT1A agonist. aid3796.table aid3796.tbin
3797 1 Title: 2-Phenyl-4(5)-[[4-(pyrimidin-2-yl)piperazin-1-yl]methyl]imidazole. A highly selective antagonist at cloned human D4 receptors. aid3797.table aid3797.tbin
3798 8 Title: N-Arylsulfonylindole derivatives as serotonin 5-HT(6) receptor ligands. Abstract: A series of N(1)-arylsulfonyltryptamines were found to be potent ligands of the human serotonin 5-HT(6) receptor with the 5-methoxy-1-benzenesulfonyl analogue (19) having the highest affinity. Additionally, it was discovered that a group such as 3-(3-methoxybenzyl)-1,2,4-oxadiazol-5-yl in the 2-position of the indole ring (43) can replace the arylsulfonyl substituent in the 1-position with no loss of affinit... aid3798.table aid3798.tbin
3799 1 Title: Lysergamides of isomeric 2,4-dimethylazetidines map the binding orientation of the diethylamide moiety in the potent hallucinogenic agent N,N-diethyllysergamide (LSD). Abstract: Lysergic acid amides were prepared from (R,R)-(-)-, (S,S)-(+)-, and cis-2,4-dimethyl azetidine. The dimethylazetidine moiety is considered here to be a rigid analogue of diethylamine, and thus, the target compounds are all conformationally constrained analogues of the potent hallucinogenic agent, N,N-diethyllyserg... aid3799.table aid3799.tbin
3800 1 Title: Synthesis and biological activity of cis-(3aR)-(-)-2,3,3a,4,5,9b-hexahydro- 3-propyl-1H-benz[e]indole-9-carboxamide: a potent and selective 5-HT1A receptor agonist with good oral availability. Abstract: The synthesis and biological activity of cis-(3aR)-(-)-2,3,3a,4,5,9b- hexahydro-3-propyl-1H-benz[e]indole-9-carboxamide ((-)-3a), U93385, is described. The cis racemate and its enantiomer as well as the corresponding trans enantiomers were also synthesized and evaluated. The synthesis of t... aid3800.table aid3800.tbin
3801 4 Title: Synthesis and biological activity of cis-(3aR)-(-)-2,3,3a,4,5,9b-hexahydro- 3-propyl-1H-benz[e]indole-9-carboxamide: a potent and selective 5-HT1A receptor agonist with good oral availability. Abstract: The synthesis and biological activity of cis-(3aR)-(-)-2,3,3a,4,5,9b- hexahydro-3-propyl-1H-benz[e]indole-9-carboxamide ((-)-3a), U93385, is described. The cis racemate and its enantiomer as well as the corresponding trans enantiomers were also synthesized and evaluated. The synthesis of t... aid3801.table aid3801.tbin
3802 2 Title: New benzocycloalkylpiperazines, potent and selective 5-HT1A receptor ligands. Abstract: A series of 1-(benzocycloalkyl)-4-(benzamidolkyl)piperazine derivatives was prepared in order to obtain compounds with a high affinity and selectivity for 5-HT1A receptors. The modifications of aromatic substituents, the length of the alkyl chain, and the size of the ring were explored. Most of N-(1,2,3,4-tetrahydronaphthyl)-N'-(benzamidoethyl)piperazines (32-37) were bound to 5-HT1A receptors in a nan... aid3802.table aid3802.tbin
3803 30 Title: Studies toward the discovery of the next generation of antidepressants. 3. Dual 5-HT1A and serotonin transporter affinity within a class of N-aryloxyethylindolylalkylamines. Abstract: N-aryloxylethylindolealkylamines (5) having dual 5-HT transporter and 5-HT(1A) affinity are described. These compounds represent truncated analogues of our previously reported piperidinyl derivatives (3). Compounds in this investigation were found to have more similar affinities and functional activities for... aid3803.table aid3803.tbin
3804 1 Title: Studies toward the discovery of the next generation of antidepressants. 3. Dual 5-HT1A and serotonin transporter affinity within a class of N-aryloxyethylindolylalkylamines. Abstract: N-aryloxylethylindolealkylamines (5) having dual 5-HT transporter and 5-HT(1A) affinity are described. These compounds represent truncated analogues of our previously reported piperidinyl derivatives (3). Compounds in this investigation were found to have more similar affinities and functional activities for... aid3804.table aid3804.tbin
3805 1 Title: A new class of selective and potent inhibitors of neuronal nitric oxide synthase. Abstract: The synthesis and SAR of a series of 6-(4-(substituted)phenyl)-2-aminopyridines as inhibitors of nitric oxide synthase are described. Compound 3a from this series shows potent and selective inhibition of the human nNOS isoform, with pharmacokinetics sufficient to provide in vivo inhibition of nNOS activity. aid3805.table aid3805.tbin
3806 14 Title: Modulation of selective serotonin reuptake inhibitor and 5-HT1A antagonist activity in 8-aza-bicyclo[3.2.1]octane derivatives of 2,3-dihydro-1,4-benzodioxane. Abstract: 2,3-Dihydro-1,4-benzodioxanes with aryl 8-aza-bicyclo[3.2.1]oct-3-ene attachments 2 produce compounds with potent 5-HT-T affinity, and weak 5-HT(1A) affinity and alpha(1) affinity. This compares with 2,3-dihydro-1,4-benzodioxanes containing 8-aza-bicyclo[3.2.1] octan-3-ol attachments 4 which possess potent 5-HT(1A) affinit... aid3806.table aid3806.tbin
3807 5 Title: Differentiation between partial agonists and neutral 5-HT1B antagonists by chemical modulation of 3-[3-(N,N-dimethylamino)propyl]-4-hydroxy- N-[4-(pyridin-4-yl)phenyl]benzamide (GR-55562). Abstract: The synthesis and binding affinity at cloned h5-HT1D, h5-HT1D, and h5-HT1A receptors of 3-[3-(N,N-dimethylamino)propyl]-4-hydroxy- N-[4-(pyridin-4-yl)phenyl]benzamide (2, GR-55562) and four O-methylated analogs are described. The functional activity of these compounds was determined at the h5-... aid3807.table aid3807.tbin
3808 1 Title: 1H-Pyrazolo-[3,4-c]cyclophepta[1,2-c]thiophenes: a unique structural class of dopamine D4 selective ligands. Abstract: A series of novel 1H-pyrazolo-[3,4-c]cyclophepta[1,2-c]thiophenes was prepared and screened at selected dopamine receptor subtypes. Compound 4 (NGB 4420) displayed high affinity and selectivity (&gt;100-fold) for the D(4) over D(2) and other CNS receptors. This compound was identified as a D(4) antagonist via its attenuation of dopamine agonist-induced GTPgamma(35)S bindi... aid3808.table aid3808.tbin
3809 20 Title: Binding of O-alkyl derivatives of serotonin at human 5-HT1D beta receptors. Abstract: In humans, 5-HT1D serotonin receptors represent terminal autoreceptors, and there is some evidence that 5-HT1D ligands may be useful in the treatment of migraine. The most widely used 5-HT1D agonist is sumatriptan; however, this agent reportedly displays little selectivity for 5-HT1D versus 5-HT1A receptors. To identify novel serotonergic agents with enhanced 5-HT1D versus 5-HT1A selectivity, we attempte... aid3809.table aid3809.tbin
3810 1 Title: Discovery of 2-(4-pyridin-2-ylpiperazin-1-ylmethyl)-1H-benzimidazole (ABT-724), a dopaminergic agent with a novel mode of action for the potential treatment of erectile dysfunction. Abstract: A new class of agents with potential utility for the treatment of erectile dysfunction has been discovered, guided by the hypothesis that selective D4 agonists are erectogenic but devoid of the side effects typically associated with dopaminergic agents. The lead agent 2-(4-pyridin-2-ylpiperazin-1-ylm... aid3810.table aid3810.tbin
3811 10 Title: Thiazoles and thiopyridines: novel series of high affinity h5HT(7) ligands. Abstract: A series of thiazole based 5HT(7) ligands has been identified from screening. Optimisation of the pendent aryl group and modification of the core gave a related series of high affinity, selective thiopyridine based 5HT(7) ligands, the most active of which behaves as a partial agonist. aid3811.table aid3811.tbin
3812 1 Title: N-[3-(2-Dimethylaminoethyl)-2-methyl-1H- indol-5-yl]-4-fluorobenzamide: a potent, selective, and orally active 5-HT(1F) receptor agonist potentially useful for migraine therapy. Abstract: Recent studies have demonstrated that selective 5-HT(1F) receptor agonists inhibit neurogenic dural inflammation, a model of migraine headache, indicating that these compounds may be effective therapies for the treatment of migraine pain. This communication describes the synthesis and discovery of a nove... aid3812.table aid3812.tbin
3813 1 Title: Design, synthesis, and structure-activity relationships of phthalimide-phenylpiperazines: a novel series of potent and selective alpha(1)(a)-adrenergic receptor antagonists. Abstract: Beginning from the screening hit and literature alpha(1)-adrenergic compounds, a hybridized basic skeleton A was proposed as the pharmacophore for potent and selective alpha(1a)-AR antagonists. Introduction of a hydroxy group to increase the flexibility afforded B which served as the screening model and resu... aid3813.table aid3813.tbin
3814 1 Title: Design, synthesis, and structure-activity relationships of phthalimide-phenylpiperazines: a novel series of potent and selective alpha(1)(a)-adrenergic receptor antagonists. Abstract: Beginning from the screening hit and literature alpha(1)-adrenergic compounds, a hybridized basic skeleton A was proposed as the pharmacophore for potent and selective alpha(1a)-AR antagonists. Introduction of a hydroxy group to increase the flexibility afforded B which served as the screening model and resu... aid3814.table aid3814.tbin
3815 1 Title: Design and synthesis of novel alpha1a adrenoceptor-selective dihydropyridine antagonists for the treatment of benign prostatic hyperplasia. Abstract: We report the synthesis and evaluation of novel alpha1a adrenoceptor subtype-selective antagonists. Systematic modification of the lipophilic 4,4-diphenylpiperidinyl moiety of the dihydropyridine derivatives 1 and 2 provided several highly selective and potent alpha1a antagonists. From this series, we identified the 4-(methoxycarbonyl)-4-phe... aid3815.table aid3815.tbin
3816 1 Title: trans-4-[4-(Methoxyphenyl)cyclohexyl]-1-arylpiperazines: a new class of potent and selective 5-HT(1A) receptor ligands as conformationally constrained analogues of 4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-1-arylpiperazines. Abstract: The present paper concerns the influence of conformational parameters on the recognition by rat 5-HT1A receptors of derivatives 4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-1-(2-pyridinyl)piperazine (1a) and 3-(5-methoxy-1,2,3,4-... aid3816.table aid3816.tbin
3817 7 Title: trans-4-[4-(Methoxyphenyl)cyclohexyl]-1-arylpiperazines: a new class of potent and selective 5-HT(1A) receptor ligands as conformationally constrained analogues of 4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-1-arylpiperazines. Abstract: The present paper concerns the influence of conformational parameters on the recognition by rat 5-HT1A receptors of derivatives 4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-1-(2-pyridinyl)piperazine (1a) and 3-(5-methoxy-1,2,3,4-... aid3817.table aid3817.tbin
3818 2 Title: Advances toward new antidepressants beyond SSRIs: 1-aryloxy-3-piperidinylpropan-2-ols with dual 5-HT1A receptor antagonism/SSRI activities. Part 1. Abstract: A series of 1-aryloxy-3-piperidinylpropan-2-ols possessing potent dual 5-HT(1A) receptor antagonism and serotonin reuptake inhibition was discovered. 1-(1H-Indol-4-yloxy)-3-(4-benzo[b]thiophen-2-ylpiperidinyl)propan-2-ols exhibited selective and high affinity at the 5-HT(1A) receptor and serotonin reuptake inhibition at nanomolar con... aid3818.table aid3818.tbin
3819 22 Title: Advances toward new antidepressants beyond SSRIs: 1-aryloxy-3-piperidinylpropan-2-ols with dual 5-HT1A receptor antagonism/SSRI activities. Part 1. Abstract: A series of 1-aryloxy-3-piperidinylpropan-2-ols possessing potent dual 5-HT(1A) receptor antagonism and serotonin reuptake inhibition was discovered. 1-(1H-Indol-4-yloxy)-3-(4-benzo[b]thiophen-2-ylpiperidinyl)propan-2-ols exhibited selective and high affinity at the 5-HT(1A) receptor and serotonin reuptake inhibition at nanomolar con... aid3819.table aid3819.tbin
3820 3 Title: Advances toward new antidepressants beyond SSRIs: 1-aryloxy-3-piperidinylpropan-2-ols with dual 5-HT1A receptor antagonism/SSRI activities. Part 1. Abstract: A series of 1-aryloxy-3-piperidinylpropan-2-ols possessing potent dual 5-HT(1A) receptor antagonism and serotonin reuptake inhibition was discovered. 1-(1H-Indol-4-yloxy)-3-(4-benzo[b]thiophen-2-ylpiperidinyl)propan-2-ols exhibited selective and high affinity at the 5-HT(1A) receptor and serotonin reuptake inhibition at nanomolar con... aid3820.table aid3820.tbin
3821 15 Title: Advances toward new antidepressants beyond SSRIs: 1-aryloxy-3-piperidinylpropan-2-ols with dual 5-HT1A receptor antagonism/SSRI activities. Part 4. Abstract: A series of 1-(1H-indol-4-yloxy)-3-(4-arylpiperidinyl)propan-2-ols possessing potent dual 5-HT(1A) receptor antagonism and serotonin reuptake inhibition was discovered. The fused aryl ring moiety contributed to the robust dual activities irrespective of the regiochemistry associated with its connectivity to the piperidine central rin... aid3821.table aid3821.tbin
3822 8 Title: Dimers of 5HT1 ligands preferentially bind to 5HT1B/1D receptor subtypes. Abstract: New dimers of known 5HT1 ligands (5HT, 1-NP or 8-OH-DPAT) have been prepared and evaluated at human cloned 5HT1B, 5HT1D and 5HT1A receptors. Binding experiments show that all these dimers have better affinities at 5HT1B/1D receptors than their corresponding monomeric ligands. Studies of inhibition of the forskolin-stimulated c-AMP formation mediated by the human 5HT1B receptor show that hetero-bivalent lig... aid3822.table aid3822.tbin
3823 81 Title: Synthesis, screening, and molecular modeling of new potent and selective antagonists at the alpha 1d adrenergic receptor. Abstract: In the present study, more than 75 compounds structurally related to BMY 7378 have been designed and synthesized. Structural variations of each part of the reference molecule have been introduced, obtaining highly selective ligands for the alpha(1d) adrenergic receptor. The molecular determinants for selectivity at this receptor are essentially held by the ph... aid3823.table aid3823.tbin
3824 4 Title: Binding of beta-carbolines at 5-HT(2) serotonin receptors. Abstract: A series of ring-substituted (i.e., methoxy and bromo) 3,4-dihydro- and 1,2,3,4-tetrahydro-beta-carbolines was examined at 5-HT(2A) and 5-HT(2C) serotonin receptors. Whereas most of the methoxy-substituted derivatives typically displayed affinities similar to their unsubstituted parents, certain (particularly 8-substituted) bromo derivatives displayed enhanced affinity. A binding profile was obtained for selected beta-ca... aid3824.table aid3824.tbin
3825 27 Title: Advances toward new antidepressants beyond SSRIs: 1-aryloxy-3-piperidinylpropan-2-ols with dual 5-HT1A receptor antagonism/SSRI activities. Part 3. Abstract: A series of 1-aryloxy-3-piperidinylpropan-2-ols possessing potent dual 5-HT(1A) receptor antagonism and serotonin reuptake inhibition was discovered. Modification of potential metabolic sites of 1-(1H-indol-4-yloxy)-3-(4-benzo[b]thiophen-2-ylpiperidinyl)propan-2-ols further improved the in vitro binding affinities and functional anta... aid3825.table aid3825.tbin
3826 3 Title: Lysergamides of isomeric 2,4-dimethylazetidines map the binding orientation of the diethylamide moiety in the potent hallucinogenic agent N,N-diethyllysergamide (LSD). Abstract: Lysergic acid amides were prepared from (R,R)-(-)-, (S,S)-(+)-, and cis-2,4-dimethyl azetidine. The dimethylazetidine moiety is considered here to be a rigid analogue of diethylamine, and thus, the target compounds are all conformationally constrained analogues of the potent hallucinogenic agent, N,N-diethyllyserg... aid3826.table aid3826.tbin
3827 2 Binding affinity towards cloned human 5-hydroxytryptamine 1A receptor was determined aid3827.table aid3827.tbin
3828 20 Title: Phenylpiperazinylalkylamino substituted pyridazinones as potent alpha(1) adrenoceptor antagonists. Abstract: QSAR models have been used for designing a series of compounds characterized by a N-phenylpiperazinylalkylamino moiety linked to substituted pyridazinones, which have been synthesized. Measurements of the binding affinities of the new compounds toward the alpha(1a)-, alpha(1b)-, and alpha(1d)-AR cloned subtypes as well as the 5-HT(1A) receptor have been done validating, at least in... aid3828.table aid3828.tbin
3829 3 Title: 5-(Nonyloxy)tryptamine: a novel high-affinity 5-HT1D beta serotonin receptor agonist. aid3829.table aid3829.tbin
3830 9 Title: Derivatives of (R)-1,11-methyleneaporphine: synthesis, structure, and interactions with G-protein coupled receptors. Abstract: The design and synthesis of a well-characterized novel ring system, (R)-lambda1,11-methyleneaporphine [(R)-4], and 15 derivatives thereof are presented. The addition of various nucleophiles to (R)-lambda1,11-carbonylaporphine [(R)-11] or to the 1,11-hydroxymethyleneaporphine epimers gave separable mixtures of epimers. The epimeric ratios obtained in most reactions... aid3830.table aid3830.tbin
3831 8 Title: Derivatives of (R)-1,11-methyleneaporphine: synthesis, structure, and interactions with G-protein coupled receptors. Abstract: The design and synthesis of a well-characterized novel ring system, (R)-lambda1,11-methyleneaporphine [(R)-4], and 15 derivatives thereof are presented. The addition of various nucleophiles to (R)-lambda1,11-carbonylaporphine [(R)-11] or to the 1,11-hydroxymethyleneaporphine epimers gave separable mixtures of epimers. The epimeric ratios obtained in most reactions... aid3831.table aid3831.tbin
3832 1 Title: N1-(Benzenesulfonyl)tryptamines as novel 5-HT6 antagonists. Abstract: N-Benzenesulfonyl-5-methoxy-N,N-dimethyltryptamine (BS/5-OMe DMT; 5) was shown to bind at human 5-HT6 serotonin receptors with high affinity (Ki = 2.3 nM) relative to serotonin (Ki = 78 nM). Structural variation failed to result in significantly enhanced affinity. BS/5-OMe DMT acts as an antagonist of 5-HT-stimulated adenylate cyclase (pA2 = 8.88 nM) and may represent the first member of a novel class of 5-HT6 antagonis... aid3832.table aid3832.tbin
3833 3 Title: 2-Substituted tryptamines: agents with selectivity for 5-HT(6) serotonin receptors. Abstract: Several 2-alkyl-5-methoxytryptamine analogues were designed and prepared as potential 5-HT(6) serotonin agonists. It was found that 5-HT(6) receptors accommodate small alkyl substituents at the indole 2-position and that the resulting compounds can bind with affinities comparable to that of serotonin. In particular, 2-ethyl-5-methoxy-N, N-dimethyltryptamine (8) binds with high affinity at human 5... aid3833.table aid3833.tbin
3834 6 Title: 5-HT1D receptor agonist properties of novel 2-[5-[[(trifluoromethyl)sulfonyl]oxy]indolyl]ethylamines and their use as synthetic intermediates. Abstract: 2-[5-[[(trifluoromethyl)sulfonyl]oxy]-1H-indol-3-yl]ethylamine (18), its N,N-di-n-propyl (12), N,N-diethyl (13), and N,N-dimethyl (14) derivatives, and 4-[3-[2-(N,N-dimethylamino)ethyl]-1H-indol-3-yl]-N-(p-methoxybenzyl) acrylamide (GR46611, 19) were synthesized and tested for binding affinities to cloned 5-HT1A, 5-HT1D alpha, 5-HT1D beta... aid3834.table aid3834.tbin
3835 19 Title: Serotonin dimers: application of the bivalent ligand approach to the design of new potent and selective 5-HT(1B/1D) agonists. Abstract: A series of serotonin dimers of formula 4 in which two serotonin moeities are linked together through their 5-hydroxyl residue has been prepared and evaluated as 5-HT(1B/1D) receptor agonists. Binding experiments at cloned human 5-HT(1B), 5-HT(1D), and 5-HT(1A) receptors show that all of these dimers are very potent ligands at 5-HT(1B/1D) receptors with i... aid3835.table aid3835.tbin
3836 2 Title: Development of fluorine-18-labeled 5-HT1A antagonists. Abstract: We have synthesized five fluorinated derivatives of WAY 100635, N-{2-[4-(2-methoxyphenyl)piperazino]ethyl}-N-(2-pyridyl)cyclohe xaneca rboxamide (4a), using various acids in place of the cyclohexanecarboxylic acid (CHCA, 2a) in the reaction scheme. The five acids are 4-fluorobenzoic acid (FB, 2b), 4-fluoro-3-methylbenzoic acid (MeFB, 2c), trans-4-fluorocyclohexanecarboxylic acid (FC, 2d), 4-(fluoromethyl)benzoic acid (FMeB, ... aid3836.table aid3836.tbin
3837 1 Title: Development of fluorine-18-labeled 5-HT1A antagonists. Abstract: We have synthesized five fluorinated derivatives of WAY 100635, N-{2-[4-(2-methoxyphenyl)piperazino]ethyl}-N-(2-pyridyl)cyclohe xaneca rboxamide (4a), using various acids in place of the cyclohexanecarboxylic acid (CHCA, 2a) in the reaction scheme. The five acids are 4-fluorobenzoic acid (FB, 2b), 4-fluoro-3-methylbenzoic acid (MeFB, 2c), trans-4-fluorocyclohexanecarboxylic acid (FC, 2d), 4-(fluoromethyl)benzoic acid (FMeB, ... aid3837.table aid3837.tbin
3838 1 Title: Development of fluorine-18-labeled 5-HT1A antagonists. Abstract: We have synthesized five fluorinated derivatives of WAY 100635, N-{2-[4-(2-methoxyphenyl)piperazino]ethyl}-N-(2-pyridyl)cyclohe xaneca rboxamide (4a), using various acids in place of the cyclohexanecarboxylic acid (CHCA, 2a) in the reaction scheme. The five acids are 4-fluorobenzoic acid (FB, 2b), 4-fluoro-3-methylbenzoic acid (MeFB, 2c), trans-4-fluorocyclohexanecarboxylic acid (FC, 2d), 4-(fluoromethyl)benzoic acid (FMeB, ... aid3838.table aid3838.tbin
3839 2 Title: Development of fluorine-18-labeled 5-HT1A antagonists. Abstract: We have synthesized five fluorinated derivatives of WAY 100635, N-{2-[4-(2-methoxyphenyl)piperazino]ethyl}-N-(2-pyridyl)cyclohe xaneca rboxamide (4a), using various acids in place of the cyclohexanecarboxylic acid (CHCA, 2a) in the reaction scheme. The five acids are 4-fluorobenzoic acid (FB, 2b), 4-fluoro-3-methylbenzoic acid (MeFB, 2c), trans-4-fluorocyclohexanecarboxylic acid (FC, 2d), 4-(fluoromethyl)benzoic acid (FMeB, ... aid3839.table aid3839.tbin
3840 11 Title: Parallel synthesis of 3-aryloxy-2-propanolamines and evaluation as dual affinity 5-HT(1A) and 5-HT re-uptake ligands. Abstract: A solution phase synthesis for the preparation of 3-aryloxy-2-propanolamine libraries has been developed. This resulted in the identification of 5 as a ligand with dual affinity for 5-HT1A and serotonin reuptake receptors which shows excellent pharmacokinetic parameters. aid3840.table aid3840.tbin
3841 6 Title: Effect of ring fluorination on the pharmacology of hallucinogenic tryptamines. Abstract: A series of fluorinated analogues of the hallucinogenic tryptamines N,N-diethyltryptamine (DET), 4-hydroxy-N,N-dimethyltryptamine (4-OH-DMT, psilocin), and 5-methoxy-DMT was synthesized to investigate possible explanations for the inactivity of 6-fluoro-DET as a hallucinogen and to determine the effects of fluorination on the molecular recognition and activation of these compounds at serotonin recepto... aid3841.table aid3841.tbin
3842 1 Title: Effect of ring fluorination on the pharmacology of hallucinogenic tryptamines. Abstract: A series of fluorinated analogues of the hallucinogenic tryptamines N,N-diethyltryptamine (DET), 4-hydroxy-N,N-dimethyltryptamine (4-OH-DMT, psilocin), and 5-methoxy-DMT was synthesized to investigate possible explanations for the inactivity of 6-fluoro-DET as a hallucinogen and to determine the effects of fluorination on the molecular recognition and activation of these compounds at serotonin recepto... aid3842.table aid3842.tbin
3843 1 Title: Discovery of 2-(4-pyridin-2-ylpiperazin-1-ylmethyl)-1H-benzimidazole (ABT-724), a dopaminergic agent with a novel mode of action for the potential treatment of erectile dysfunction. Abstract: A new class of agents with potential utility for the treatment of erectile dysfunction has been discovered, guided by the hypothesis that selective D4 agonists are erectogenic but devoid of the side effects typically associated with dopaminergic agents. The lead agent 2-(4-pyridin-2-ylpiperazin-1-ylm... aid3843.table aid3843.tbin
3844 11 Title: Synthesis of potent and selective dopamine D(4) antagonists as candidate radioligands. Abstract: A series of dopamine D(4) antagonists was synthesized and evaluated as potential candidates for development as positron emission tomography (PET) radioligands. All new compounds display high affinity and selectivity for the D(4) receptors and compounds 5b, 5d, and 5e were identified as candidates for radioligand development. aid3844.table aid3844.tbin
3845 21 Title: Advances Toward new antidepressants beyond SSRIs: 1-aryloxy-3-piperidinylpropan-2-ols with dual 5-HT(1A) receptor antagonism/SSRI activities. Part 2. Abstract: Potent 5-HT1A/SSRIs at low nanomolar and subnanomolar concentrations were identified in a series of 1-(1H-indol-4-yloxy)-3-(4-benzo[b]thiophen-2-ylpiperidinyl)propan-2-ols. Incorporation of an alpha-Me group in the piperidine ring with its specific stereochemistry enhanced binding affinity at the 5-HT reuptake site and in vitro 5-H... aid3845.table aid3845.tbin
3846 10 Title: Studies toward the discovery of the next generation of antidepressants. Part 2: incorporating a 5-HT(1A) antagonist component into a class of serotonin reuptake inhibitors. Abstract: The design and synthesis of a novel series of indole derivatives (9) having dual 5-HT transporter reuptake and 5-HT(1A) antagonist activity are described. aid3846.table aid3846.tbin
3847 6 Title: Serotonergic and dopaminergic activities of rigidified (R)-aporphine derivatives. Abstract: Novel rigidified (R)-aporphine derivatives were synthesized from (R)-1,11-carbonylaporphine by ring expansion reactions. The structures of the novel analogues were assigned by NMR spectroscopy and X-ray crystallography. The compounds showed moderate affinities and selectivities at serotonin S-HT1A and 5-HT7 and dopamine D2A receptors. aid3847.table aid3847.tbin
3848 33 Title: Novel potent 5-HT(1F) receptor agonists: structure-activity studies of a series of substituted N-[3-(1-methyl-4-piperidinyl)-1H-pyrrolo[3,2-b]pyridin-5-yl]amides. Abstract: Compound 1a (LY334370), a selective 5-HT(1F) receptor agonist (SSOFRA), inhibited dural inflammation in the neurogenic plasma protein extravasation model of migraine and demonstrated clinical efficacy for the acute treatment of migraine. Although 1a was greater than 100-fold selective over both the 5-HT(1B) and 5-HT(1D... aid3848.table aid3848.tbin
3849 3 Title: Dimerization of sumatriptan as an efficient way to design a potent, centrally and orally active 5-HT1B agonist. Abstract: A new bivalent ligand of formula 3 which results from the covalent coupling of two sumatriptan molecules with a p-xylyl spacer at the level of the sulfonamide nitrogen has been prepared and evaluated as a 5-HT1B/1D receptors agonist. In vitro experiments at 5-HT1B human cloned receptors (Ki = 0.64 nM; EC50 = 0.58 nM) and at the level of the contraction of the New Zeala... aid3849.table aid3849.tbin
3850 5 Title: N-Methyl-5-tert-butyltryptamine: A novel, highly potent 5-HT1D receptor agonist. Abstract: It has been observed that reported 5-HT1D receptor agonists have at least one heteroatom (N, O, or S) on the 5-substituent of the indole. This has led to the hypothesis that a 5-substituent capable of participating in hydrogen bonding is critical for conveying high affinity. This article describes the synthesis and biological evaluation of a new series of 5-alkyltryptamine analogues, which does not ... aid3850.table aid3850.tbin
3851 1 Title: A series of 6- and 7-piperazinyl- and -piperidinylmethylbenzoxazinones with dopamine D4 antagonist activity: discovery of a potential atypical antipsychotic agent. Abstract: As part of a program to develop dopamine D4 antagonists for the treatment of schizophrenia, we discovered a series of 6- and 7-(phenylpiperazinyl)- and -(phenylpiperidinyl)methylbenzoxazinones through mass screening of our compound library. A structure-activity relationship SAR study was carried out involving substitu... aid3851.table aid3851.tbin
3852 5 Title: New potential uroselective NO-donor alpha1-antagonists. Abstract: A recent uroselective alpha(1)-adrenoceptor antagonist, REC15/2739, has been joined with nitrooxy and furoxan NO-donor moieties to give new NO-donor alpha(1)-antagonists. All the compounds studied proved to be potent and selective ligands of human cloned alpha(1a)-receptor subtype. Derivatives 6 and 7 were able to relax the prostatic portion of rat vas deferens contracted by (-)-noradrenaline because of both their alpha(1A)... aid3852.table aid3852.tbin
3853 10 Title: 5-HT1B receptor antagonist properties of novel arylpiperazide derivatives of 1-naphthylpiperazine. Abstract: A new series of arylpiperazide derivatives of 1-naphthylpiperazine of general formula 4 has been prepared and evaluated as 5-HT1B antagonists. Binding experiments at cloned human 5-HT1A, 5-HT1B, and 5-HT1D receptors show that these derivatives are potent and selective ligands for 5-HT1B/1D subtypes with increased binding selectivity versus the 5-HT1A receptor when compared to 1-nap... aid3853.table aid3853.tbin
3854 8 Title: Synthesis and pharmacological characterization of a series of geometrically constrained 5-HT(2A/2C) receptor ligands. Abstract: In studies of the SAR of phenethylamine-type serotonin 5-HT(2A) receptor agonists, substituted conformationally constrained tetrahydronaphthofurans were designed to investigate the optimal conformation of the 2-aminoethyl moiety. These compounds were tested using in vitro assays for affinity at 5-HT(1A), 5-HT(2A), and 5-HT(2C) receptors. The benzofuran-containing... aid3854.table aid3854.tbin
3855 5 Title: Synthesis and pharmacological testing of 1,2,3,4,10,14b-hexahydro-6-methoxy-2-methyldibenzo[c,f]pyrazino[1,2-a]azepin and its enantiomers in comparison with the two antidepressants mianserin and mirtazapine. Abstract: The synthesis and resolution of 1,2,3,4,10,14b-hexahydro-6-methoxy-2-methyldibenzo[c,f]pyrazino[1,2-a]azepin (6-methoxymianserin, 6) are described. Furthermore, the in vitro and in vivo effects of 6 and its enantiomers are presented. 6 displayed high affinity for the 5-HT2A/... aid3855.table aid3855.tbin
3856 14 Affinity for 5-hydroxytryptamine 1A receptor subtype aid3856.table aid3856.tbin
3857 1 Title: Isochroman-6-carboxamides as highly selective 5-HT1D agonists: potential new treatment for migraine without cardiovascular side effects. aid3857.table aid3857.tbin
3858 6 Title: Isochroman-6-carboxamides as highly selective 5-HT1D agonists: potential new treatment for migraine without cardiovascular side effects. aid3858.table aid3858.tbin
3859 1 Title: N-Substituted (2,3-dihydro-1,4-benzodioxin-2-yl)methylamine derivatives as D(2) antagonists/5-HT(1A) partial agonists with potential as atypical antipsychotic agents. Abstract: A series of N-substituted 1-(2,3-dihydro-1, 4-benzodioxin-2-yl)methylamine derivatives with D(2) antagonist/5-HT(1A) partial agonist activity has been prepared as potential atypical antipsychotic agents. Optimization of in vitro receptor binding activity and in vivo activity in rodent models of psychosis has led to... aid3859.table aid3859.tbin
3860 23 Title: Synthesis and serotonergic activity of arylpiperazide derivatives of serotonin: potent agonists for 5-HT1D receptors. Abstract: A series of new arylpiperazide derivatives of serotonin has been prepared and evaluated as 5-HT1D receptor agonists. Binding experiments at cloned human 5-HT1D alpha, 5-HT1D beta, and 5-HT1A receptors show that all the compounds are very potent and selective ligands for 5-HT1D receptor subtypes. Functional activity studies (contraction of the New Zealand white ra... aid3860.table aid3860.tbin
3861 2 Title: Phenylpiperazinylalkylamino substituted pyridazinones as potent alpha(1) adrenoceptor antagonists. Abstract: QSAR models have been used for designing a series of compounds characterized by a N-phenylpiperazinylalkylamino moiety linked to substituted pyridazinones, which have been synthesized. Measurements of the binding affinities of the new compounds toward the alpha(1a)-, alpha(1b)-, and alpha(1d)-AR cloned subtypes as well as the 5-HT(1A) receptor have been done validating, at least in... aid3861.table aid3861.tbin
3862 5 Title: Novel potent 5-HT(1F) receptor agonists: structure-activity studies of a series of substituted N-[3-(1-methyl-4-piperidinyl)-1H-pyrrolo[3,2-b]pyridin-5-yl]amides. Abstract: Compound 1a (LY334370), a selective 5-HT(1F) receptor agonist (SSOFRA), inhibited dural inflammation in the neurogenic plasma protein extravasation model of migraine and demonstrated clinical efficacy for the acute treatment of migraine. Although 1a was greater than 100-fold selective over both the 5-HT(1B) and 5-HT(1D... aid3862.table aid3862.tbin
3863 1 Title: Synthesis and pharmacological characterization of a series of geometrically constrained 5-HT(2A/2C) receptor ligands. Abstract: In studies of the SAR of phenethylamine-type serotonin 5-HT(2A) receptor agonists, substituted conformationally constrained tetrahydronaphthofurans were designed to investigate the optimal conformation of the 2-aminoethyl moiety. These compounds were tested using in vitro assays for affinity at 5-HT(1A), 5-HT(2A), and 5-HT(2C) receptors. The benzofuran-containing... aid3863.table aid3863.tbin
3864 1 Title: Synthesis and pharmacological characterization of a series of geometrically constrained 5-HT(2A/2C) receptor ligands. Abstract: In studies of the SAR of phenethylamine-type serotonin 5-HT(2A) receptor agonists, substituted conformationally constrained tetrahydronaphthofurans were designed to investigate the optimal conformation of the 2-aminoethyl moiety. These compounds were tested using in vitro assays for affinity at 5-HT(1A), 5-HT(2A), and 5-HT(2C) receptors. The benzofuran-containing... aid3864.table aid3864.tbin
3865 1 Title: Synthesis and structure-affinity relationship investigations of 5-heteroaryl-substituted analogues of the antipsychotic sertindole. A new class of highly selective alpha(1) adrenoceptor antagonists. Abstract: A new class of 5-heteroaryl-substituted 1-(4-fluorophenyl)-3-(4-piperidinyl)-1H-indoles as highly selective and potentially CNS-active alpha 1-adrenoceptor antagonists is described. The compounds are derived from the antipsychotic sertindole. The structure-affinity relationships of t... aid3865.table aid3865.tbin
3866 2 Title: Synthesis and structure-affinity relationship investigations of 5-heteroaryl-substituted analogues of the antipsychotic sertindole. A new class of highly selective alpha(1) adrenoceptor antagonists. Abstract: A new class of 5-heteroaryl-substituted 1-(4-fluorophenyl)-3-(4-piperidinyl)-1H-indoles as highly selective and potentially CNS-active alpha 1-adrenoceptor antagonists is described. The compounds are derived from the antipsychotic sertindole. The structure-affinity relationships of t... aid3866.table aid3866.tbin
3867 1 Title: Synthesis and structure-affinity relationship investigations of 5-heteroaryl-substituted analogues of the antipsychotic sertindole. A new class of highly selective alpha(1) adrenoceptor antagonists. Abstract: A new class of 5-heteroaryl-substituted 1-(4-fluorophenyl)-3-(4-piperidinyl)-1H-indoles as highly selective and potentially CNS-active alpha 1-adrenoceptor antagonists is described. The compounds are derived from the antipsychotic sertindole. The structure-affinity relationships of t... aid3867.table aid3867.tbin
3868 1 Title: Synthesis and structure-affinity relationship investigations of 5-heteroaryl-substituted analogues of the antipsychotic sertindole. A new class of highly selective alpha(1) adrenoceptor antagonists. Abstract: A new class of 5-heteroaryl-substituted 1-(4-fluorophenyl)-3-(4-piperidinyl)-1H-indoles as highly selective and potentially CNS-active alpha 1-adrenoceptor antagonists is described. The compounds are derived from the antipsychotic sertindole. The structure-affinity relationships of t... aid3868.table aid3868.tbin
3869 1 Title: Improvement in the selectivity and metabolic stability of the serotonin 5-HT(1A) ligand, S 15535: a series of cis- and trans-2-(arylcycloalkylamine) 1-indanols. Abstract: S 15535 (1) displays a distinctive profile of agonist and antagonist (weak partial agonist) activity at pre- and postsynaptic 5-HT(1A) receptors, respectively. It has proven to be active in several models predictive of anxiolytic, antidepressant, and procognitive properties. In an attempt to increase its selectivity and ... aid3869.table aid3869.tbin
3870 1 Title: Improvement in the selectivity and metabolic stability of the serotonin 5-HT(1A) ligand, S 15535: a series of cis- and trans-2-(arylcycloalkylamine) 1-indanols. Abstract: S 15535 (1) displays a distinctive profile of agonist and antagonist (weak partial agonist) activity at pre- and postsynaptic 5-HT(1A) receptors, respectively. It has proven to be active in several models predictive of anxiolytic, antidepressant, and procognitive properties. In an attempt to increase its selectivity and ... aid3870.table aid3870.tbin
3871 1 Title: Improvement in the selectivity and metabolic stability of the serotonin 5-HT(1A) ligand, S 15535: a series of cis- and trans-2-(arylcycloalkylamine) 1-indanols. Abstract: S 15535 (1) displays a distinctive profile of agonist and antagonist (weak partial agonist) activity at pre- and postsynaptic 5-HT(1A) receptors, respectively. It has proven to be active in several models predictive of anxiolytic, antidepressant, and procognitive properties. In an attempt to increase its selectivity and ... aid3871.table aid3871.tbin
3872 1 Title: Improvement in the selectivity and metabolic stability of the serotonin 5-HT(1A) ligand, S 15535: a series of cis- and trans-2-(arylcycloalkylamine) 1-indanols. Abstract: S 15535 (1) displays a distinctive profile of agonist and antagonist (weak partial agonist) activity at pre- and postsynaptic 5-HT(1A) receptors, respectively. It has proven to be active in several models predictive of anxiolytic, antidepressant, and procognitive properties. In an attempt to increase its selectivity and ... aid3872.table aid3872.tbin
3873 1 Title: Improvement in the selectivity and metabolic stability of the serotonin 5-HT(1A) ligand, S 15535: a series of cis- and trans-2-(arylcycloalkylamine) 1-indanols. Abstract: S 15535 (1) displays a distinctive profile of agonist and antagonist (weak partial agonist) activity at pre- and postsynaptic 5-HT(1A) receptors, respectively. It has proven to be active in several models predictive of anxiolytic, antidepressant, and procognitive properties. In an attempt to increase its selectivity and ... aid3873.table aid3873.tbin
3874 1 Title: Effect of ring fluorination on the pharmacology of hallucinogenic tryptamines. Abstract: A series of fluorinated analogues of the hallucinogenic tryptamines N,N-diethyltryptamine (DET), 4-hydroxy-N,N-dimethyltryptamine (4-OH-DMT, psilocin), and 5-methoxy-DMT was synthesized to investigate possible explanations for the inactivity of 6-fluoro-DET as a hallucinogen and to determine the effects of fluorination on the molecular recognition and activation of these compounds at serotonin recepto... aid3874.table aid3874.tbin
3875 3 Title: Effect of ring fluorination on the pharmacology of hallucinogenic tryptamines. Abstract: A series of fluorinated analogues of the hallucinogenic tryptamines N,N-diethyltryptamine (DET), 4-hydroxy-N,N-dimethyltryptamine (4-OH-DMT, psilocin), and 5-methoxy-DMT was synthesized to investigate possible explanations for the inactivity of 6-fluoro-DET as a hallucinogen and to determine the effects of fluorination on the molecular recognition and activation of these compounds at serotonin recepto... aid3875.table aid3875.tbin
3876 1 Title: Effect of ring fluorination on the pharmacology of hallucinogenic tryptamines. Abstract: A series of fluorinated analogues of the hallucinogenic tryptamines N,N-diethyltryptamine (DET), 4-hydroxy-N,N-dimethyltryptamine (4-OH-DMT, psilocin), and 5-methoxy-DMT was synthesized to investigate possible explanations for the inactivity of 6-fluoro-DET as a hallucinogen and to determine the effects of fluorination on the molecular recognition and activation of these compounds at serotonin recepto... aid3876.table aid3876.tbin
3877 3 Title: A novel ergot alkaloid as a 5-HT(1A) inhibitor produced by Dicyma sp. Abstract: In the course of a search for small-molecule inhibitors of 5-hydroxytryptamine receptors we have identified a novel ergoline derivative (1) from the fungal culture of Dicyma sp. This compound has a pK(i) of 10.2 versus the 5-hydroxytryptamine(1A) receptor subtype. The structure was elucidated by extensive NMR spectroscopy and mass spectrometry. aid3877.table aid3877.tbin
3878 19 Title: Advances Toward new antidepressants beyond SSRIs: 1-aryloxy-3-piperidinylpropan-2-ols with dual 5-HT(1A) receptor antagonism/SSRI activities. Part 2. Abstract: Potent 5-HT1A/SSRIs at low nanomolar and subnanomolar concentrations were identified in a series of 1-(1H-indol-4-yloxy)-3-(4-benzo[b]thiophen-2-ylpiperidinyl)propan-2-ols. Incorporation of an alpha-Me group in the piperidine ring with its specific stereochemistry enhanced binding affinity at the 5-HT reuptake site and in vitro 5-H... aid3878.table aid3878.tbin
3879 1 Title: Advances Toward new antidepressants beyond SSRIs: 1-aryloxy-3-piperidinylpropan-2-ols with dual 5-HT(1A) receptor antagonism/SSRI activities. Part 2. Abstract: Potent 5-HT1A/SSRIs at low nanomolar and subnanomolar concentrations were identified in a series of 1-(1H-indol-4-yloxy)-3-(4-benzo[b]thiophen-2-ylpiperidinyl)propan-2-ols. Incorporation of an alpha-Me group in the piperidine ring with its specific stereochemistry enhanced binding affinity at the 5-HT reuptake site and in vitro 5-H... aid3879.table aid3879.tbin
3880 2 Title: Advances Toward new antidepressants beyond SSRIs: 1-aryloxy-3-piperidinylpropan-2-ols with dual 5-HT(1A) receptor antagonism/SSRI activities. Part 2. Abstract: Potent 5-HT1A/SSRIs at low nanomolar and subnanomolar concentrations were identified in a series of 1-(1H-indol-4-yloxy)-3-(4-benzo[b]thiophen-2-ylpiperidinyl)propan-2-ols. Incorporation of an alpha-Me group in the piperidine ring with its specific stereochemistry enhanced binding affinity at the 5-HT reuptake site and in vitro 5-H... aid3880.table aid3880.tbin
3881 2 Title: Advances Toward new antidepressants beyond SSRIs: 1-aryloxy-3-piperidinylpropan-2-ols with dual 5-HT(1A) receptor antagonism/SSRI activities. Part 2. Abstract: Potent 5-HT1A/SSRIs at low nanomolar and subnanomolar concentrations were identified in a series of 1-(1H-indol-4-yloxy)-3-(4-benzo[b]thiophen-2-ylpiperidinyl)propan-2-ols. Incorporation of an alpha-Me group in the piperidine ring with its specific stereochemistry enhanced binding affinity at the 5-HT reuptake site and in vitro 5-H... aid3881.table aid3881.tbin
3882 1 Title: Functional characteristics of a series of N4-substituted 1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazines as 5-HT1A receptor ligands. Structure-activity relationships. Abstract: The agonistic/antagonistic profile of a series of 10 N4-substituted 1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazines is evaluated in the in vitro adenylyl cyclase assay. The profile is severely affected by the characteristics of the N4-substituents ranging from full agonism (benzamidoethyl derivative 1), mixed agoni... aid3882.table aid3882.tbin
3883 2 Title: Improvement in the selectivity and metabolic stability of the serotonin 5-HT(1A) ligand, S 15535: a series of cis- and trans-2-(arylcycloalkylamine) 1-indanols. Abstract: S 15535 (1) displays a distinctive profile of agonist and antagonist (weak partial agonist) activity at pre- and postsynaptic 5-HT(1A) receptors, respectively. It has proven to be active in several models predictive of anxiolytic, antidepressant, and procognitive properties. In an attempt to increase its selectivity and ... aid3883.table aid3883.tbin
3884 13 Title: Improvement in the selectivity and metabolic stability of the serotonin 5-HT(1A) ligand, S 15535: a series of cis- and trans-2-(arylcycloalkylamine) 1-indanols. Abstract: S 15535 (1) displays a distinctive profile of agonist and antagonist (weak partial agonist) activity at pre- and postsynaptic 5-HT(1A) receptors, respectively. It has proven to be active in several models predictive of anxiolytic, antidepressant, and procognitive properties. In an attempt to increase its selectivity and ... aid3884.table aid3884.tbin
3885 7 Title: Parallel synthesis of 3-aryloxy-2-propanolamines and evaluation as dual affinity 5-HT(1A) and 5-HT re-uptake ligands. Abstract: A solution phase synthesis for the preparation of 3-aryloxy-2-propanolamine libraries has been developed. This resulted in the identification of 5 as a ligand with dual affinity for 5-HT1A and serotonin reuptake receptors which shows excellent pharmacokinetic parameters. aid3885.table aid3885.tbin
3886 25 Title: Studies towards the next generation of antidepressants. Part 1: Indolylcyclohexylamines as potent serotonin reuptake inhibitors. Abstract: A series of indolylcyclohexylamines possessing potent and selective serotonin reuptake inhibition is reported. The most interesting compounds proved to have subnanomolar 5-HT transporter activity, and exhibited moderate 5-HT(1A) affinity. aid3886.table aid3886.tbin
3887 1 Title: Studies towards the next generation of antidepressants. Part 1: Indolylcyclohexylamines as potent serotonin reuptake inhibitors. Abstract: A series of indolylcyclohexylamines possessing potent and selective serotonin reuptake inhibition is reported. The most interesting compounds proved to have subnanomolar 5-HT transporter activity, and exhibited moderate 5-HT(1A) affinity. aid3887.table aid3887.tbin
3888 1 Title: WB 4101-related compounds. 2. Role of the ethylene chain separating amine and phenoxy units on the affinity for alpha(1)-adrenoreceptor subtypes and 5-HT(1A) receptors. Abstract: WB 4101 (1)-related benzodioxanes were synthesized by replacing the ethylene chain separating the amine and the phenoxy units of 1 with a cyclopentanol moiety, a feature of 6, 7-dihydro-5-[[(cis-2-hydroxy-trans-3-phenoxycyclopentyl)amino]meth yl] -2-methylbenzo[b]thiophen-4(5H)-one that was reported to display an... aid3888.table aid3888.tbin
3889 7 Title: WB 4101-related compounds. 2. Role of the ethylene chain separating amine and phenoxy units on the affinity for alpha(1)-adrenoreceptor subtypes and 5-HT(1A) receptors. Abstract: WB 4101 (1)-related benzodioxanes were synthesized by replacing the ethylene chain separating the amine and the phenoxy units of 1 with a cyclopentanol moiety, a feature of 6, 7-dihydro-5-[[(cis-2-hydroxy-trans-3-phenoxycyclopentyl)amino]meth yl] -2-methylbenzo[b]thiophen-4(5H)-one that was reported to display an... aid3889.table aid3889.tbin
3890 1 Title: Structure-activity relationships in 1,4-benzodioxan-related compounds. 6. Role of the dioxane unit on selectivity for alpha(1)-adrenoreceptor subtypes. Abstract: WB 4101-related benzodioxans 3-9 were synthesized, and their biological profiles at alpha(1)-adrenoreceptor subtypes and 5-HT(1A) serotoninergic receptors were assessed by binding assays in CHO and HeLa cells membranes expressing the human cloned receptors. Furthermore, receptor selectivity of selected benzodioxan derivatives was... aid3890.table aid3890.tbin
3891 2 Title: Structure-activity relationships in 1,4-benzodioxan-related compounds. 6. Role of the dioxane unit on selectivity for alpha(1)-adrenoreceptor subtypes. Abstract: WB 4101-related benzodioxans 3-9 were synthesized, and their biological profiles at alpha(1)-adrenoreceptor subtypes and 5-HT(1A) serotoninergic receptors were assessed by binding assays in CHO and HeLa cells membranes expressing the human cloned receptors. Furthermore, receptor selectivity of selected benzodioxan derivatives was... aid3891.table aid3891.tbin
3892 1 Title: Structure-activity relationships in 1,4-benzodioxan-related compounds. 6. Role of the dioxane unit on selectivity for alpha(1)-adrenoreceptor subtypes. Abstract: WB 4101-related benzodioxans 3-9 were synthesized, and their biological profiles at alpha(1)-adrenoreceptor subtypes and 5-HT(1A) serotoninergic receptors were assessed by binding assays in CHO and HeLa cells membranes expressing the human cloned receptors. Furthermore, receptor selectivity of selected benzodioxan derivatives was... aid3892.table aid3892.tbin
3893 1 Title: Structure-activity relationships in 1,4-benzodioxan-related compounds. 6. Role of the dioxane unit on selectivity for alpha(1)-adrenoreceptor subtypes. Abstract: WB 4101-related benzodioxans 3-9 were synthesized, and their biological profiles at alpha(1)-adrenoreceptor subtypes and 5-HT(1A) serotoninergic receptors were assessed by binding assays in CHO and HeLa cells membranes expressing the human cloned receptors. Furthermore, receptor selectivity of selected benzodioxan derivatives was... aid3893.table aid3893.tbin
3894 1 Title: Structure-activity relationships in 1,4-benzodioxan-related compounds. 6. Role of the dioxane unit on selectivity for alpha(1)-adrenoreceptor subtypes. Abstract: WB 4101-related benzodioxans 3-9 were synthesized, and their biological profiles at alpha(1)-adrenoreceptor subtypes and 5-HT(1A) serotoninergic receptors were assessed by binding assays in CHO and HeLa cells membranes expressing the human cloned receptors. Furthermore, receptor selectivity of selected benzodioxan derivatives was... aid3894.table aid3894.tbin
3895 1 Title: Structure-activity relationships in 1,4-benzodioxan-related compounds. 6. Role of the dioxane unit on selectivity for alpha(1)-adrenoreceptor subtypes. Abstract: WB 4101-related benzodioxans 3-9 were synthesized, and their biological profiles at alpha(1)-adrenoreceptor subtypes and 5-HT(1A) serotoninergic receptors were assessed by binding assays in CHO and HeLa cells membranes expressing the human cloned receptors. Furthermore, receptor selectivity of selected benzodioxan derivatives was... aid3895.table aid3895.tbin
3896 1 Title: Structure-activity relationships in 1,4-benzodioxan-related compounds. 6. Role of the dioxane unit on selectivity for alpha(1)-adrenoreceptor subtypes. Abstract: WB 4101-related benzodioxans 3-9 were synthesized, and their biological profiles at alpha(1)-adrenoreceptor subtypes and 5-HT(1A) serotoninergic receptors were assessed by binding assays in CHO and HeLa cells membranes expressing the human cloned receptors. Furthermore, receptor selectivity of selected benzodioxan derivatives was... aid3896.table aid3896.tbin
3897 4 Title: WB 4101-related compounds. 2. Role of the ethylene chain separating amine and phenoxy units on the affinity for alpha(1)-adrenoreceptor subtypes and 5-HT(1A) receptors. Abstract: WB 4101 (1)-related benzodioxanes were synthesized by replacing the ethylene chain separating the amine and the phenoxy units of 1 with a cyclopentanol moiety, a feature of 6, 7-dihydro-5-[[(cis-2-hydroxy-trans-3-phenoxycyclopentyl)amino]meth yl] -2-methylbenzo[b]thiophen-4(5H)-one that was reported to display an... aid3897.table aid3897.tbin
3898 2 Title: WB 4101-related compounds. 2. Role of the ethylene chain separating amine and phenoxy units on the affinity for alpha(1)-adrenoreceptor subtypes and 5-HT(1A) receptors. Abstract: WB 4101 (1)-related benzodioxanes were synthesized by replacing the ethylene chain separating the amine and the phenoxy units of 1 with a cyclopentanol moiety, a feature of 6, 7-dihydro-5-[[(cis-2-hydroxy-trans-3-phenoxycyclopentyl)amino]meth yl] -2-methylbenzo[b]thiophen-4(5H)-one that was reported to display an... aid3898.table aid3898.tbin
3899 2 Title: WB 4101-related compounds. 2. Role of the ethylene chain separating amine and phenoxy units on the affinity for alpha(1)-adrenoreceptor subtypes and 5-HT(1A) receptors. Abstract: WB 4101 (1)-related benzodioxanes were synthesized by replacing the ethylene chain separating the amine and the phenoxy units of 1 with a cyclopentanol moiety, a feature of 6, 7-dihydro-5-[[(cis-2-hydroxy-trans-3-phenoxycyclopentyl)amino]meth yl] -2-methylbenzo[b]thiophen-4(5H)-one that was reported to display an... aid3899.table aid3899.tbin
3900 8 Title: trans-4-[4-(Methoxyphenyl)cyclohexyl]-1-arylpiperazines: a new class of potent and selective 5-HT(1A) receptor ligands as conformationally constrained analogues of 4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-1-arylpiperazines. Abstract: The present paper concerns the influence of conformational parameters on the recognition by rat 5-HT1A receptors of derivatives 4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-1-(2-pyridinyl)piperazine (1a) and 3-(5-methoxy-1,2,3,4-... aid3900.table aid3900.tbin
3901 2 Title: Phenylpiperazinylalkylamino substituted pyridazinones as potent alpha(1) adrenoceptor antagonists. Abstract: QSAR models have been used for designing a series of compounds characterized by a N-phenylpiperazinylalkylamino moiety linked to substituted pyridazinones, which have been synthesized. Measurements of the binding affinities of the new compounds toward the alpha(1a)-, alpha(1b)-, and alpha(1d)-AR cloned subtypes as well as the 5-HT(1A) receptor have been done validating, at least in... aid3901.table aid3901.tbin
3902 3 Title: A novel ergot alkaloid as a 5-HT(1A) inhibitor produced by Dicyma sp. Abstract: In the course of a search for small-molecule inhibitors of 5-hydroxytryptamine receptors we have identified a novel ergoline derivative (1) from the fungal culture of Dicyma sp. This compound has a pK(i) of 10.2 versus the 5-hydroxytryptamine(1A) receptor subtype. The structure was elucidated by extensive NMR spectroscopy and mass spectrometry. aid3902.table aid3902.tbin
3903 1 Title: Functional characteristics of a series of N4-substituted 1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazines as 5-HT1A receptor ligands. Structure-activity relationships. Abstract: The agonistic/antagonistic profile of a series of 10 N4-substituted 1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazines is evaluated in the in vitro adenylyl cyclase assay. The profile is severely affected by the characteristics of the N4-substituents ranging from full agonism (benzamidoethyl derivative 1), mixed agoni... aid3903.table aid3903.tbin
3904 2 Title: Functional characteristics of a series of N4-substituted 1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazines as 5-HT1A receptor ligands. Structure-activity relationships. Abstract: The agonistic/antagonistic profile of a series of 10 N4-substituted 1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazines is evaluated in the in vitro adenylyl cyclase assay. The profile is severely affected by the characteristics of the N4-substituents ranging from full agonism (benzamidoethyl derivative 1), mixed agoni... aid3904.table aid3904.tbin
3905 7 Title: Functional characteristics of a series of N4-substituted 1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazines as 5-HT1A receptor ligands. Structure-activity relationships. Abstract: The agonistic/antagonistic profile of a series of 10 N4-substituted 1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazines is evaluated in the in vitro adenylyl cyclase assay. The profile is severely affected by the characteristics of the N4-substituents ranging from full agonism (benzamidoethyl derivative 1), mixed agoni... aid3905.table aid3905.tbin
3906 6 Title: Functional characteristics of a series of N4-substituted 1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazines as 5-HT1A receptor ligands. Structure-activity relationships. Abstract: The agonistic/antagonistic profile of a series of 10 N4-substituted 1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazines is evaluated in the in vitro adenylyl cyclase assay. The profile is severely affected by the characteristics of the N4-substituents ranging from full agonism (benzamidoethyl derivative 1), mixed agoni... aid3906.table aid3906.tbin
3907 42 Title: Novel derivatives of 2-pyridinemethylamine as selective, potent, and orally active agonists at 5-HT1A receptors. Abstract: The aim of this work was to improve the oral bioavailability of a recently discovered, novel structural class of 5-HT1A receptor agonists: aryl-{[4-(6-R-pyridin-2-ylmethyl)-amino]-methyl}-piperidin-1 -yl-metha none. Incorporation of a fluorine atom in the beta-position to the amino function in the side chain led to analogues that exhibited, in general, enhanced and lo... aid3907.table aid3907.tbin
3908 3 Title: Novel derivatives of 2-pyridinemethylamine as selective, potent, and orally active agonists at 5-HT1A receptors. Abstract: The aim of this work was to improve the oral bioavailability of a recently discovered, novel structural class of 5-HT1A receptor agonists: aryl-{[4-(6-R-pyridin-2-ylmethyl)-amino]-methyl}-piperidin-1 -yl-metha none. Incorporation of a fluorine atom in the beta-position to the amino function in the side chain led to analogues that exhibited, in general, enhanced and lo... aid3908.table aid3908.tbin
3909 1 Title: Phenylpiperazinylalkylamino substituted pyridazinones as potent alpha(1) adrenoceptor antagonists. Abstract: QSAR models have been used for designing a series of compounds characterized by a N-phenylpiperazinylalkylamino moiety linked to substituted pyridazinones, which have been synthesized. Measurements of the binding affinities of the new compounds toward the alpha(1a)-, alpha(1b)-, and alpha(1d)-AR cloned subtypes as well as the 5-HT(1A) receptor have been done validating, at least in... aid3909.table aid3909.tbin
3910 23 Ability to bind to 5-hydroxytryptamine 1A receptor from cloned human expressed in Ha7 cells aid3910.table aid3910.tbin
3911 11 Ability to bind to 5-hydroxytryptamine 1A receptor subtype from cloned human expressed in Ha7 cells aid3911.table aid3911.tbin
3912 1 Title: Synthesis and serotonergic activity of N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethylamine and analogues: potent agonists for 5-HT1D receptors. Abstract: The synthesis and the 5-HT receptor activity of a novel series of N,N-dimethyltryptamines substituted in the 5-position with an imidazole, triazole, or tetrazole ring are described. The objective of this work was to identify potent and selective 5-HT1D receptor agonists with high oral bioavailability and low central ner... aid3912.table aid3912.tbin
3913 1 Title: Synthesis and serotonergic activity of N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethylamine and analogues: potent agonists for 5-HT1D receptors. Abstract: The synthesis and the 5-HT receptor activity of a novel series of N,N-dimethyltryptamines substituted in the 5-position with an imidazole, triazole, or tetrazole ring are described. The objective of this work was to identify potent and selective 5-HT1D receptor agonists with high oral bioavailability and low central ner... aid3913.table aid3913.tbin
3914 4 Title: Synthesis and structure-activity relationship of 2-(aminoalkyl)-2,3,3a,8-tetrahydrodibenzo[c,f]isoxazolo[2,3-a]azepine derivatives: a novel series of 5-HT(2A/2C) receptor antagonists. Part 1. Abstract: The synthesis of a series of novel 2-(aminoalkyl)-2,3,3a,8-tetrahydrodibenzo[c,f]isoxazolo[2,3-a]azepine derivatives as well as their 5-HT(2A/2C) and H(1) receptor binding affinities are described. The in vivo activity as potential anxiolytics of the synthesised compounds was measured in a ... aid3914.table aid3914.tbin
3915 6 Title: Synthesis and structure-activity relationship of 2-(aminoalkyl)-2,3,3a,8-tetrahydrodibenzo[c,f]isoxazolo[2,3-a]azepine derivatives: a novel series of 5-HT(2A/2C) receptor antagonists. Part 2. Abstract: Following the programme started at Janssen Research Foundation searching for 5-HT(2A/2C) antagonists, we now report on the synthesis of a series of substituted 2-(Dimethylaminomethyl)-2,3,3a,8-tetrahydrodibenzo[c,f]isoxazolo[2,3-a]azepine derivatives. The 5-HT(2A), 5-HT(2C) and H(1) recepto... aid3915.table aid3915.tbin
3916 1 Title: Discovery of 4-[3-(trans-3-dimethylaminocyclobutyl)-1H-indol-5-ylmethyl]-(4S)-oxazolidin-2-one (4991W93), a 5HT(1B/1D) receptor partial agonist and a potent inhibitor of electrically induced plasma extravasation. Abstract: Utilizing a pharmacophoric model of binding of 3-(2-aminoethyl)indoles to 5HT(1B/1D) receptors, we identified the 3-aminocyclobutyl group as a potential ethylamine isostere. A novel multidimensional chemometric approach was used to predict the intrinsic activity (degree... aid3916.table aid3916.tbin
3917 9 Title: WB 4101-related compounds. 2. Role of the ethylene chain separating amine and phenoxy units on the affinity for alpha(1)-adrenoreceptor subtypes and 5-HT(1A) receptors. Abstract: WB 4101 (1)-related benzodioxanes were synthesized by replacing the ethylene chain separating the amine and the phenoxy units of 1 with a cyclopentanol moiety, a feature of 6, 7-dihydro-5-[[(cis-2-hydroxy-trans-3-phenoxycyclopentyl)amino]meth yl] -2-methylbenzo[b]thiophen-4(5H)-one that was reported to display an... aid3917.table aid3917.tbin
3918 2 Title: Tetrahydrothienopyridylbutyl-tetrahydrobenzindoles: new selective ligands of the 5-HT(7) receptor. Abstract: The synthesis and the affinity for the 5-HT(7) receptor and other receptors of a novel series of fused-ring tetrahydropyridine derivatives are described. Some of the compounds showed high affinity for the 5-HT(7) receptor. Tetrahydrothienopyridylbutyl-tetrahydrobenzindoles and are potent ligands for the 5-HT(7) receptor, with high selectivity over the 5-HT(2) receptor and other rec... aid3918.table aid3918.tbin
3919 1 Title: Structure-activity relationships in 1,4-benzodioxan-related compounds. 7. Selectivity of 4-phenylchroman analogues for alpha(1)-adrenoreceptor subtypes. Abstract: WB4101 (1)-related compounds 5-10 were synthesized, and their biological profile at alpha(1)-adrenoreceptor (AR) subtypes and 5-HT(1A) serotoninergic receptors was assessed by binding assays in Chinese hamster ovary and HeLa cell membranes expressing the human cloned receptors. Moreover, their receptor selectivity was further de... aid3919.table aid3919.tbin
3920 5 Title: Search for alpha 1-adrenoceptor subtypes selective antagonists: design, synthesis and biological activity of cystazosin, an alpha 1D-adrenoceptor antagonist. Abstract: Two novel quinazolines (2 and 3) related to both prazosin and its open analogue 1 were synthesized, and their biological profile at alpha 1-adrenoceptor subtypes was assessed by functional assays in rat isolated tissues, namely prostatic vas deferens (alpha 1A), spleen (alpha 1B) and aorta (alpha 1D). Furthermore, the bindi... aid3920.table aid3920.tbin
3921 1 Title: Search for alpha 1-adrenoceptor subtypes selective antagonists: design, synthesis and biological activity of cystazosin, an alpha 1D-adrenoceptor antagonist. Abstract: Two novel quinazolines (2 and 3) related to both prazosin and its open analogue 1 were synthesized, and their biological profile at alpha 1-adrenoceptor subtypes was assessed by functional assays in rat isolated tissues, namely prostatic vas deferens (alpha 1A), spleen (alpha 1B) and aorta (alpha 1D). Furthermore, the bindi... aid3921.table aid3921.tbin
3922 37 Title: Improvement in the selectivity and metabolic stability of the serotonin 5-HT(1A) ligand, S 15535: a series of cis- and trans-2-(arylcycloalkylamine) 1-indanols. Abstract: S 15535 (1) displays a distinctive profile of agonist and antagonist (weak partial agonist) activity at pre- and postsynaptic 5-HT(1A) receptors, respectively. It has proven to be active in several models predictive of anxiolytic, antidepressant, and procognitive properties. In an attempt to increase its selectivity and ... aid3922.table aid3922.tbin
3923 9 Title: Novel (4-piperazin-1-ylquinolin-6-yl) arylsulfonamides with high affinity and selectivity for the 5-HT(6) receptor. Abstract: The discovery of (4-piperazin-1-ylquinolin-6-yl) arylsulfonamides and their binding affinities for a selection of 5-HT and dopamine subreceptors is described. Many compounds show high affinity (pK(i)&gt;8) for the 5-HT(6) receptor and &gt;100-fold selectivity against a range of other receptors. Structure-activity relationships of these compounds are discussed. aid3923.table aid3923.tbin
3924 1 Title: A novel ergot alkaloid as a 5-HT(1A) inhibitor produced by Dicyma sp. Abstract: In the course of a search for small-molecule inhibitors of 5-hydroxytryptamine receptors we have identified a novel ergoline derivative (1) from the fungal culture of Dicyma sp. This compound has a pK(i) of 10.2 versus the 5-hydroxytryptamine(1A) receptor subtype. The structure was elucidated by extensive NMR spectroscopy and mass spectrometry. aid3924.table aid3924.tbin
3925 4 Title: A novel ergot alkaloid as a 5-HT(1A) inhibitor produced by Dicyma sp. Abstract: In the course of a search for small-molecule inhibitors of 5-hydroxytryptamine receptors we have identified a novel ergoline derivative (1) from the fungal culture of Dicyma sp. This compound has a pK(i) of 10.2 versus the 5-hydroxytryptamine(1A) receptor subtype. The structure was elucidated by extensive NMR spectroscopy and mass spectrometry. aid3925.table aid3925.tbin
3926 5 Title: A novel, potent, and selective 5-HT(7) antagonist: (R)-3-(2-(2-(4-methylpiperidin-1-yl)ethyl)pyrrolidine-1-sulfonyl) phen ol (SB-269970). aid3926.table aid3926.tbin
3927 1 Title: A novel, potent, and selective 5-HT(7) antagonist: (R)-3-(2-(2-(4-methylpiperidin-1-yl)ethyl)pyrrolidine-1-sulfonyl) phen ol (SB-269970). aid3927.table aid3927.tbin
3928 3 Title: A novel, potent, and selective 5-HT(7) antagonist: (R)-3-(2-(2-(4-methylpiperidin-1-yl)ethyl)pyrrolidine-1-sulfonyl) phen ol (SB-269970). aid3928.table aid3928.tbin
3929 1 Title: Identification of a novel series of selective 5-HT7 receptor antagonists. Abstract: Novel 5-HT(7) receptor antagonists containing the benzocycloheptanone core were identified from high throughput screening. Molecular modelling and SAR studies have converted these intractable hits into a more potent, selective and tractable series, exemplified by compound (25), SB-691673. aid3929.table aid3929.tbin
3930 1 Title: A novel, potent, and selective 5-HT(7) antagonist: (R)-3-(2-(2-(4-methylpiperidin-1-yl)ethyl)pyrrolidine-1-sulfonyl) phen ol (SB-269970). aid3930.table aid3930.tbin
3931 4 Title: Phenyl benzenesulfonamides are novel and selective 5-HT6 antagonists: identification of N-(2,5-dibromo-3-fluorophenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide (SB-357134). Abstract: Substituted N-phenyl-4-methoxy-3-piperazin-1-ylbenzenesulfonamides and conformationally restricted analogues have been identified as high affinity and selective 5-HT6 antagonists. Compounds from this series had a range of pharmacokinetic profiles in rat and in general there was a correlation between clear... aid3931.table aid3931.tbin
3932 1 Title: Tetrahydrobenzindoles: selective antagonists of the 5-HT7 receptor. aid3932.table aid3932.tbin
3933 1 Title: The selective 5-HT1B receptor inverse agonist 1'-methyl-5-[[2'-methyl-4'-(5-methyl-1,2, 4-oxadiazol-3-yl)biphenyl-4-yl]carbonyl]-2,3,6,7-tetrahydro- spiro[furo[2,3-f]indole-3,4'-piperidine] (SB-224289) potently blocks terminal 5-HT autoreceptor function both in vitro and in vivo. Abstract: 5-HT1 receptors are members of the G-protein-coupled receptor superfamily and are negatively linked to adenylyl cyclase activity. The human 5-HT1B and 5-HT1D receptors (previously known as 5-HT1Dbeta an... aid3933.table aid3933.tbin
3934 2 Title: Design, synthesis, and biological activity of prazosin-related antagonists. Role of the piperazine and furan units of prazosin on the selectivity for alpha1-adrenoreceptor subtypes. Abstract: Prazosin-related quinazolines 4-20 were synthesized, and their biological profiles at alpha1-adrenoreceptor subtypes were assessed by functional experiments in isolated rat vas deferens (alpha1A), spleen (alpha1B), and aorta (alpha1D) and by binding assays in CHO cells expressing human cloned alpha1-... aid3934.table aid3934.tbin
3935 3 Title: Design, synthesis, and biological activity of prazosin-related antagonists. Role of the piperazine and furan units of prazosin on the selectivity for alpha1-adrenoreceptor subtypes. Abstract: Prazosin-related quinazolines 4-20 were synthesized, and their biological profiles at alpha1-adrenoreceptor subtypes were assessed by functional experiments in isolated rat vas deferens (alpha1A), spleen (alpha1B), and aorta (alpha1D) and by binding assays in CHO cells expressing human cloned alpha1-... aid3935.table aid3935.tbin
3936 3 Title: 5-Chloro-N-(4-methoxy-3-piperazin-1-yl- phenyl)-3-methyl-2-benzothiophenesulfon- amide (SB-271046): a potent, selective, and orally bioavailable 5-HT6 receptor antagonist. aid3936.table aid3936.tbin
3937 1 Title: SB-656104-A: a novel 5-HT(7) receptor antagonist with improved in vivo properties. Abstract: A focused SAR study around the previously reported selective 5-HT(7) receptor antagonist, SB-269970-A has resulted in the identification of a structurally related analogue having an improved pharmacokinetic profile. Replacement of the phenolic group in SB-269970-A with an indole moiety, and replacement of the piperidinyl 4-methyl group with a heterocyclic ring system proved to be the key changes l... aid3937.table aid3937.tbin
3938 1 Title: 2a-[4-(Tetrahydropyridoindol-2-yl)butyl]tetrahydrobenzindole derivatives: new selective antagonists of the 5-hydroxytryptamine7 receptor. Abstract: A series of tetrahydrobenzindoles was prepared, and the affinity of these compounds for the 5-hydroxytryptamine7 (5-HT7) receptor and other receptors was evaluated. Most of the compounds showed high affinity for the 5-HT7 receptor, and 2a-[4-(tetrahydropyridoindol-2-yl)butyl]tetrahydrobenzindole derivatives (26a-j) exhibited high selectivity f... aid3938.table aid3938.tbin
3939 8 Title: Structure-activity relationships in 1,4-benzodioxan-related compounds. 6. Role of the dioxane unit on selectivity for alpha(1)-adrenoreceptor subtypes. Abstract: WB 4101-related benzodioxans 3-9 were synthesized, and their biological profiles at alpha(1)-adrenoreceptor subtypes and 5-HT(1A) serotoninergic receptors were assessed by binding assays in CHO and HeLa cells membranes expressing the human cloned receptors. Furthermore, receptor selectivity of selected benzodioxan derivatives was... aid3939.table aid3939.tbin
3940 1 Title: (R)-3,N-dimethyl-N-[1-methyl-3-(4-methyl-piperidin-1-yl) propyl]benzenesulfonamide: the first selective 5-HT7 receptor antagonist. aid3940.table aid3940.tbin
3941 5 Title: Bicyclic piperazinylbenzenesulphonamides are potent and selective 5-HT6 receptor antagonists. Abstract: The synthesis of novel 3-(octahydropyrido[1,2-a]pyrazin-2-yl)- and 3-(hexahydropyrrolo[1,2-a]pyrazin-2-yl)phenyl-2-benzo[b]thiophene sulphonamide derivatives 3, (S)-4 and (R)-4 is described. The compounds show high affinity for the 5-HT6 receptor, excellent selectivity against a range of other receptors and good brain penetration. aid3941.table aid3941.tbin
3942 1 Title: A novel and selective 5-HT2 receptor agonist with ocular hypotensive activity: (S)-(+)-1-(2-aminopropyl)-8,9-dihydropyrano[3,2-e]indole. Abstract: Serotonin 5-HT2 receptor agonists have recently been shown to be effective in lowering intraocular pressure in nonhuman primates and represent a potential new class of antiglaucoma agents. As part of an effort to identify new selective agonists at this receptor, we have found that (S)-(+)-1-(2-aminopropyl)-8,9-dihydropyrano[3,2-e]indole (AL-373... aid3942.table aid3942.tbin
3943 1 Title: Synthesis and serotonergic activity of arylpiperazide derivatives of serotonin: potent agonists for 5-HT1D receptors. Abstract: A series of new arylpiperazide derivatives of serotonin has been prepared and evaluated as 5-HT1D receptor agonists. Binding experiments at cloned human 5-HT1D alpha, 5-HT1D beta, and 5-HT1A receptors show that all the compounds are very potent and selective ligands for 5-HT1D receptor subtypes. Functional activity studies (contraction of the New Zealand white ra... aid3943.table aid3943.tbin
3944 1 Title: New tetrahydrobenzindoles as potent and selective 5-HT(7) antagonists with increased In vitro metabolic stability. Abstract: Chemical modifications of compound 1 (DR4004), a potent, selective antagonist of the 5-HT(7) receptor, were conducted with the aim of improving its metabolic stability. Halogenation of putative sites of oxidative metabolism afforded compounds 7-10, which retained high affinity and selectivity for the 5-HT(7) receptor, and showed increased in vitro metabolic stabilit... aid3944.table aid3944.tbin
3945 3 Title: 2-(Dimethylaminomethyl)-tetrahydroisoxazolopyridobenzazepine derivatives. Synthesis of a new 5-HT(2C) antagonist with potential anxiolytic properties. Abstract: Following the program started at Johnson &amp; Johnson Pharmaceutical Research &amp; Development searching for 5-HT(2A/2C) antagonists, we now report on the synthesis of 2-(dimethylaminomethyl)-2,3,3a,8-tetrahydroisoxazolo[3,2-a]pyrido[3,4-c]-[2]benzazepine and 2-(dimethylaminomethyl)-2,3,3a,8-tetrahydroisoxazolo[3,2-a]pyrido[3,2-... aid3945.table aid3945.tbin
3946 1 Title: 2-(Dimethylaminomethyl)-tetrahydroisoxazolopyridobenzazepine derivatives. Synthesis of a new 5-HT(2C) antagonist with potential anxiolytic properties. Abstract: Following the program started at Johnson &amp; Johnson Pharmaceutical Research &amp; Development searching for 5-HT(2A/2C) antagonists, we now report on the synthesis of 2-(dimethylaminomethyl)-2,3,3a,8-tetrahydroisoxazolo[3,2-a]pyrido[3,4-c]-[2]benzazepine and 2-(dimethylaminomethyl)-2,3,3a,8-tetrahydroisoxazolo[3,2-a]pyrido[3,2-... aid3946.table aid3946.tbin
3947 1 Title: Synthesis and serotonergic activity of 3-[2-(pyrrolidin-1-yl)ethyl]indoles: potent agonists for the h5-HT1D receptor with high selectivity over the h5-HT1B receptor. Abstract: The design, synthesis, and biological evaluation of a novel series of 3-[2-(pyrrolidin-1-yl)ethyl]indoles with excellent selectivity for h5-HT1D (formerly 5-HT1Dalpha) receptors over h5-HT1B (formerly 5-HT1Dbeta) receptors are described. Clinically effective antimigraine drugs such as Sumatriptan show little selecti... aid3947.table aid3947.tbin
3948 1 Title: Aryl 1-but-3-ynyl-4-phenyl-1,2,3,6-tetrahydropyridines as potential antipsychotic agents: synthesis and structure-activity relationships. Abstract: A novel series of aryl 1-but-3-ynyl-4-phenyl-1,2,3,6-tetrahydropyridines with dopaminergic activity is described. The structure-activity relationships of this series were studied by synthesis of analogs and evaluation of their affinities for the dopamine (DA) D2 receptor and inhibition of locomotor activity (LMA) in rodents. The basic amine, a... aid3948.table aid3948.tbin
3949 1 Title: A series of 6- and 7-piperazinyl- and -piperidinylmethylbenzoxazinones with dopamine D4 antagonist activity: discovery of a potential atypical antipsychotic agent. Abstract: As part of a program to develop dopamine D4 antagonists for the treatment of schizophrenia, we discovered a series of 6- and 7-(phenylpiperazinyl)- and -(phenylpiperidinyl)methylbenzoxazinones through mass screening of our compound library. A structure-activity relationship SAR study was carried out involving substitu... aid3949.table aid3949.tbin
3950 1 Title: Synthesis and molecular modeling of new 1-aryl-3-[4-arylpiperazin-1-yl]-1-propane derivatives with high affinity at the serotonin transporter and at 5-HT(1A) receptors. Abstract: It has been proposed that 5-HT(1A) receptor antagonists augment the antidepressant efficacy of selective serotonin (5-HT) reuptake inhibitors. In a search toward new and efficient antidepressants, 1-(aryl)-3-[4-arylpiperazin-1-yl]-1-propane molecular hybrids were designed, synthesized, and evaluated for 5-HT reup... aid3950.table aid3950.tbin
3951 1 Title: Synthesis and molecular modeling of new 1-aryl-3-[4-arylpiperazin-1-yl]-1-propane derivatives with high affinity at the serotonin transporter and at 5-HT(1A) receptors. Abstract: It has been proposed that 5-HT(1A) receptor antagonists augment the antidepressant efficacy of selective serotonin (5-HT) reuptake inhibitors. In a search toward new and efficient antidepressants, 1-(aryl)-3-[4-arylpiperazin-1-yl]-1-propane molecular hybrids were designed, synthesized, and evaluated for 5-HT reup... aid3951.table aid3951.tbin
3952 1 Title: Synthesis and molecular modeling of new 1-aryl-3-[4-arylpiperazin-1-yl]-1-propane derivatives with high affinity at the serotonin transporter and at 5-HT(1A) receptors. Abstract: It has been proposed that 5-HT(1A) receptor antagonists augment the antidepressant efficacy of selective serotonin (5-HT) reuptake inhibitors. In a search toward new and efficient antidepressants, 1-(aryl)-3-[4-arylpiperazin-1-yl]-1-propane molecular hybrids were designed, synthesized, and evaluated for 5-HT reup... aid3952.table aid3952.tbin
3953 7 Title: Synthesis and molecular modeling of new 1-aryl-3-[4-arylpiperazin-1-yl]-1-propane derivatives with high affinity at the serotonin transporter and at 5-HT(1A) receptors. Abstract: It has been proposed that 5-HT(1A) receptor antagonists augment the antidepressant efficacy of selective serotonin (5-HT) reuptake inhibitors. In a search toward new and efficient antidepressants, 1-(aryl)-3-[4-arylpiperazin-1-yl]-1-propane molecular hybrids were designed, synthesized, and evaluated for 5-HT reup... aid3953.table aid3953.tbin
3954 7 Title: Synthesis and molecular modeling of new 1-aryl-3-[4-arylpiperazin-1-yl]-1-propane derivatives with high affinity at the serotonin transporter and at 5-HT(1A) receptors. Abstract: It has been proposed that 5-HT(1A) receptor antagonists augment the antidepressant efficacy of selective serotonin (5-HT) reuptake inhibitors. In a search toward new and efficient antidepressants, 1-(aryl)-3-[4-arylpiperazin-1-yl]-1-propane molecular hybrids were designed, synthesized, and evaluated for 5-HT reup... aid3954.table aid3954.tbin
3955 7 Title: Synthesis and molecular modeling of new 1-aryl-3-[4-arylpiperazin-1-yl]-1-propane derivatives with high affinity at the serotonin transporter and at 5-HT(1A) receptors. Abstract: It has been proposed that 5-HT(1A) receptor antagonists augment the antidepressant efficacy of selective serotonin (5-HT) reuptake inhibitors. In a search toward new and efficient antidepressants, 1-(aryl)-3-[4-arylpiperazin-1-yl]-1-propane molecular hybrids were designed, synthesized, and evaluated for 5-HT reup... aid3955.table aid3955.tbin
3956 7 Title: Synthesis and molecular modeling of new 1-aryl-3-[4-arylpiperazin-1-yl]-1-propane derivatives with high affinity at the serotonin transporter and at 5-HT(1A) receptors. Abstract: It has been proposed that 5-HT(1A) receptor antagonists augment the antidepressant efficacy of selective serotonin (5-HT) reuptake inhibitors. In a search toward new and efficient antidepressants, 1-(aryl)-3-[4-arylpiperazin-1-yl]-1-propane molecular hybrids were designed, synthesized, and evaluated for 5-HT reup... aid3956.table aid3956.tbin
3957 7 Title: Synthesis and molecular modeling of new 1-aryl-3-[4-arylpiperazin-1-yl]-1-propane derivatives with high affinity at the serotonin transporter and at 5-HT(1A) receptors. Abstract: It has been proposed that 5-HT(1A) receptor antagonists augment the antidepressant efficacy of selective serotonin (5-HT) reuptake inhibitors. In a search toward new and efficient antidepressants, 1-(aryl)-3-[4-arylpiperazin-1-yl]-1-propane molecular hybrids were designed, synthesized, and evaluated for 5-HT reup... aid3957.table aid3957.tbin
3958 7 Title: Synthesis and molecular modeling of new 1-aryl-3-[4-arylpiperazin-1-yl]-1-propane derivatives with high affinity at the serotonin transporter and at 5-HT(1A) receptors. Abstract: It has been proposed that 5-HT(1A) receptor antagonists augment the antidepressant efficacy of selective serotonin (5-HT) reuptake inhibitors. In a search toward new and efficient antidepressants, 1-(aryl)-3-[4-arylpiperazin-1-yl]-1-propane molecular hybrids were designed, synthesized, and evaluated for 5-HT reup... aid3958.table aid3958.tbin
3959 1 Title: Synthesis and serotonin binding site studies of some conformationally restricted indolylethylamine analogues based on 2-amino-3-(3'-indolyl)bicyclo[2.2.2]octane. Abstract: The bicycloannulation reaction between cyclohexenone and indolyl enamines yields trans-3-(cyclic amino)-2-(3'-indolyl)bicyclo[2.2.2]octan-5-ones, and these adducts are conformationally restricted analogues of indolylethylamine (tryptamine) which exhibit structure-dependent affinity for the serotonin 5HT2 and 5HT1a recep... aid3959.table aid3959.tbin
3960 20 Title: Synthesis and evaluation of heterocyclic carboxamides as potential antipsychotic agents. Abstract: Heterocyclic analogues of 1192U90, 2-amino-N-(4-(4-(1,2-benzisothiazol-3-yl)-1-piperazinyl)-butyl) benzamide hydrochloride (1), were prepared and evaluated as potential antipsychotic agents. These analogues were evaluated in vitro for their binding to the dopamine D2, serotonin 5-HT2, and serotonin 5-HT1a receptors and in vivo for their ability to antagonize the apomorphine-induced climbing ... aid3960.table aid3960.tbin
3961 6 Title: Synthesis and serotonin binding site studies of some conformationally restricted indolylethylamine analogues based on 2-amino-3-(3'-indolyl)bicyclo[2.2.2]octane. Abstract: The bicycloannulation reaction between cyclohexenone and indolyl enamines yields trans-3-(cyclic amino)-2-(3'-indolyl)bicyclo[2.2.2]octan-5-ones, and these adducts are conformationally restricted analogues of indolylethylamine (tryptamine) which exhibit structure-dependent affinity for the serotonin 5HT2 and 5HT1a recep... aid3961.table aid3961.tbin
3962 3 Title: Synthesis and serotonin binding site studies of some conformationally restricted indolylethylamine analogues based on 2-amino-3-(3'-indolyl)bicyclo[2.2.2]octane. Abstract: The bicycloannulation reaction between cyclohexenone and indolyl enamines yields trans-3-(cyclic amino)-2-(3'-indolyl)bicyclo[2.2.2]octan-5-ones, and these adducts are conformationally restricted analogues of indolylethylamine (tryptamine) which exhibit structure-dependent affinity for the serotonin 5HT2 and 5HT1a recep... aid3962.table aid3962.tbin
3963 5 Title: Synthesis and serotonin binding site studies of some conformationally restricted indolylethylamine analogues based on 2-amino-3-(3'-indolyl)bicyclo[2.2.2]octane. Abstract: The bicycloannulation reaction between cyclohexenone and indolyl enamines yields trans-3-(cyclic amino)-2-(3'-indolyl)bicyclo[2.2.2]octan-5-ones, and these adducts are conformationally restricted analogues of indolylethylamine (tryptamine) which exhibit structure-dependent affinity for the serotonin 5HT2 and 5HT1a recep... aid3963.table aid3963.tbin
3964 1 Title: Synthesis and serotonin binding site studies of some conformationally restricted indolylethylamine analogues based on 2-amino-3-(3'-indolyl)bicyclo[2.2.2]octane. Abstract: The bicycloannulation reaction between cyclohexenone and indolyl enamines yields trans-3-(cyclic amino)-2-(3'-indolyl)bicyclo[2.2.2]octan-5-ones, and these adducts are conformationally restricted analogues of indolylethylamine (tryptamine) which exhibit structure-dependent affinity for the serotonin 5HT2 and 5HT1a recep... aid3964.table aid3964.tbin
3965 3 Compound was tested for binding affinity to 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT as a radioligand aid3965.table aid3965.tbin
3966 5 Title: Synthesis and serotonin binding site studies of some conformationally restricted indolylethylamine analogues based on 2-amino-3-(3'-indolyl)bicyclo[2.2.2]octane. Abstract: The bicycloannulation reaction between cyclohexenone and indolyl enamines yields trans-3-(cyclic amino)-2-(3'-indolyl)bicyclo[2.2.2]octan-5-ones, and these adducts are conformationally restricted analogues of indolylethylamine (tryptamine) which exhibit structure-dependent affinity for the serotonin 5HT2 and 5HT1a recep... aid3966.table aid3966.tbin
3967 4 Title: 2,4-Disubstituted pyrroles: synthesis, traceless linking and pharmacological investigations leading to the dopamine D4 receptor partial agonist FAUC 356. Abstract: Solution-phase synthesis and a solid-phase supported approach to piperazinylmethyl substituted pyrroles are described. Receptor binding studies and the measurement of D4 ligand efficacy led to the ethynylpyrrole 1d (FAUC 356) exerting selective D4 binding and substantial ligand efficacy (66%, EC(50)=1.9nM). This activity profil... aid3967.table aid3967.tbin
3968 5 Title: 2,4-Disubstituted pyrroles: synthesis, traceless linking and pharmacological investigations leading to the dopamine D4 receptor partial agonist FAUC 356. Abstract: Solution-phase synthesis and a solid-phase supported approach to piperazinylmethyl substituted pyrroles are described. Receptor binding studies and the measurement of D4 ligand efficacy led to the ethynylpyrrole 1d (FAUC 356) exerting selective D4 binding and substantial ligand efficacy (66%, EC(50)=1.9nM). This activity profil... aid3968.table aid3968.tbin
3969 1 Title: Fused azaindole derivatives: molecular design, synthesis and in vitro pharmacology leading to the preferential dopamine D3 receptor agonist FAUC 725. Abstract: Computational studies based on the similarity of molecular electrostatic potential maps initiated the synthesis of the tricyclic target compounds 1 (FAUC 725) and 2. Receptor binding studies at the dopamine receptor subtypes D1, D2(long), D2(short), D3 and D4 showed that the azaindole 1 revealed D3 affinity (K(i)=0.54 nM) comparabl... aid3969.table aid3969.tbin
3970 1 Title: The serotonin 5-HT4 receptor. 1. Design of a new class of agonists and receptor map of the agonist recognition site. Abstract: The design and synthesis of a new class of potent and selective 5-HT4 receptor agonists containing an indole nucleus linked to a carbazimidamide are presented. A conformational study of the 5-HT4 receptor agonists serotonin and zacopride led to the identification of an initial pharmacophore and to the definition of a three-dimensional map of the 5-HT4 agonist reco... aid3970.table aid3970.tbin
3971 2 Title: Di- and trisubstituted pyrazolo[1,5-a]pyridine derivatives: synthesis, dopamine receptor binding and ligand efficacy. Abstract: Based on the lead molecule FAUC 113, a series of di- and trisubstituted pyrazolo[1,5-a]pyridine derivatives was synthesized and investigated for their dopamine receptor binding profile. The carbonitrile 11a (FAUC 327) showed excellent pharmacological properties combining high D4 affinity (K(i)=1.5 nM) and selectivity with significant intrinsic activity (31%) in l... aid3971.table aid3971.tbin
3972 1 Title: Benzamide bioisosteres incorporating dihydroheteroazole substructures: EPC synthesis and SAR leading to a selective dopamine D4 receptor partial agonist (FAUC 179). Abstract: Conformationally restricted benzamide bioisosteres were investigated when the chiral phenyldihydroimidazole derivative 4e (FAUC 179) showed strong and highly selective dopamine D4 receptor binding (K(i)high=0.95nM). Mitogenesis experiments indicated partial agonist properties (42%). EPC syntheses of the target compou... aid3972.table aid3972.tbin
3973 5 Compound was tested for its ability to displace [3H]8-OH-DPAT from 5-hydroxytryptamine 1A receptor in pig cortex aid3973.table aid3973.tbin
3974 13 Title: Interactive SAR studies: rational discovery of super-potent and highly selective dopamine D3 receptor antagonists and partial agonists. Abstract: Starting from dopamine receptor ligand BP897, an interactive drug discovery process leading to heterocyclic bioisosteres is demonstrated. The four step strategy involved a careful optimization of geometric and electronic properties by systematic modification of the attachment points and heteroatoms, respectively. Efficacy tuning by modification ... aid3974.table aid3974.tbin
3975 1 Title: Synthesis and serotonergic activity of N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethylamine and analogues: potent agonists for 5-HT1D receptors. Abstract: The synthesis and the 5-HT receptor activity of a novel series of N,N-dimethyltryptamines substituted in the 5-position with an imidazole, triazole, or tetrazole ring are described. The objective of this work was to identify potent and selective 5-HT1D receptor agonists with high oral bioavailability and low central ner... aid3975.table aid3975.tbin
3976 15 Title: Synthesis and serotonergic activity of N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethylamine and analogues: potent agonists for 5-HT1D receptors. Abstract: The synthesis and the 5-HT receptor activity of a novel series of N,N-dimethyltryptamines substituted in the 5-position with an imidazole, triazole, or tetrazole ring are described. The objective of this work was to identify potent and selective 5-HT1D receptor agonists with high oral bioavailability and low central ner... aid3976.table aid3976.tbin
3977 1 Title: Synthesis and serotonergic activity of N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethylamine and analogues: potent agonists for 5-HT1D receptors. Abstract: The synthesis and the 5-HT receptor activity of a novel series of N,N-dimethyltryptamines substituted in the 5-position with an imidazole, triazole, or tetrazole ring are described. The objective of this work was to identify potent and selective 5-HT1D receptor agonists with high oral bioavailability and low central ner... aid3977.table aid3977.tbin
3978 16 Title: Synthesis and biological activity of 3-[2-(dimethylamino)ethyl]-5-[(1,1-dioxo-5-methyl-1,2,5-thiadiazolidin- 2-yl)-methyl]-1H-indole and analogues: agonists for the 5-HT1D receptor. Abstract: A novel series of 5-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)tryptamines was designed, synthesized, and evaluated as 5-HT1D receptor agonists. Compounds such as 8d,f,k were identified which had comparable affinity, potency, and receptor selectivity to that of the antimigraine drug sumatriptan. Both 8d,k ... aid3978.table aid3978.tbin
3979 13 Title: Synthesis and serotonergic activity of 5-(oxadiazolyl)tryptamines: potent agonists for 5-HT1D receptors. Abstract: The synthesis and 5-HT1D receptor activity of a novel series of 5-(oxadiazolyl)tryptamines is described. Modifications of the oxadiazole 3-substituent, length of the linking chain (n), and the amine substituents are explored and reveal a large binding pocket in the 5-HT1D receptor domain. Oxadiazole substituents such as benzyl are accommodated without loss of agonist potency ... aid3979.table aid3979.tbin
3980 2 Title: (+/-) 3-Amino-6-carboxamido-1,2,3,4-tetrahydrocarbazole: a conformationally restricted analogue of 5-carboxamidotryptamine with selectivity for the serotonin 5-HT1D receptor. aid3980.table aid3980.tbin
3981 1 Title: (+)-cis-4,5,7a,8,9,10,11,11a-octahydro-7H-10-methylindolo[1,7- bc][2,6]-naphthyridine: a 5-HT2C/2B receptor antagonist with low 5-HT2A receptor affinity. Abstract: The indolonaphthyridine 8 is described as a selective 5-HT2C/2B vs 5-HT2A receptor antagonist. The compound was synthesized in seven steps starting from indoline and isonicotinic acid chloride. The key step is a photocyclization of the indolinyl tetrahydropyridinocarbamic acid ethyl ester 4 to the cis-octahydroindolo[1, 7-bc][2... aid3981.table aid3981.tbin
3982 4 Title: The serotonin 5-HT4 receptor. 1. Design of a new class of agonists and receptor map of the agonist recognition site. Abstract: The design and synthesis of a new class of potent and selective 5-HT4 receptor agonists containing an indole nucleus linked to a carbazimidamide are presented. A conformational study of the 5-HT4 receptor agonists serotonin and zacopride led to the identification of an initial pharmacophore and to the definition of a three-dimensional map of the 5-HT4 agonist reco... aid3982.table aid3982.tbin
3983 8 Title: The serotonin 5-HT4 receptor. 2. Structure-activity studies of the indole carbazimidamide class of agonists. Abstract: A number of substituted indole carbazimidamides were prepared and evaluated as 5-HT4 receptor agonists by using the isolated field-stimulated guinea pig ileum preparation. Their selectivity for the 5-HT4 receptor was established by examining their affinity for other 5-HT receptors using radioligand-binding techniques. Several selective and highly potent full as well as pa... aid3983.table aid3983.tbin
3984 1 Title: Computer-aided design and synthesis of 5-substituted tryptamines and their pharmacology at the 5-HT1D receptor: discovery of compounds with potential anti-migraine properties. Abstract: The design and synthesis of a series of novel 5-substituted tryptamines with pharmacological activity at 5-HT1D and other monoamine receptors is described. Structural modifications of N- and C-linked (principally hydantoin) analogues at the 5-position were synthesized and their pharmacological activities w... aid3984.table aid3984.tbin
3985 11 Title: New selective and potent 5-HT(1B/1D) antagonists: chemistry and pharmacological evaluation of N-piperazinylphenyl biphenylcarboxamides and biphenylsulfonamides. Abstract: A series of new analogues of N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl] 2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)biphenyl-4-carboxamide (1; GR127935) as potent and selective 5-HT(1B/1D) antagonists were synthesized and evaluated pharmacologically. Their receptor binding profiles were comparable to that of 1. The 1... aid3985.table aid3985.tbin
3986 10 Title: Synthesis and binding studies of some epibatidine analogues. Abstract: A series of epibatidine analogues and their positional isomers bearing an 8-azabicyclo[3.2.1]octane moiety is described. Some of the compounds, especially those containing 8-azabicyclo[3.2.1]oct-2-ene moiety show high affinity for the nicotinic cholinergic receptor. aid3986.table aid3986.tbin
3987 1 Tested for the effect on binding at 5-hydroxytryptamine 1A receptor; No activity aid3987.table aid3987.tbin
3988 10 Title: Synthesis and molecular modeling of new 1-aryl-3-[4-arylpiperazin-1-yl]-1-propane derivatives with high affinity at the serotonin transporter and at 5-HT(1A) receptors. Abstract: It has been proposed that 5-HT(1A) receptor antagonists augment the antidepressant efficacy of selective serotonin (5-HT) reuptake inhibitors. In a search toward new and efficient antidepressants, 1-(aryl)-3-[4-arylpiperazin-1-yl]-1-propane molecular hybrids were designed, synthesized, and evaluated for 5-HT reup... aid3988.table aid3988.tbin
3989 9 Title: Synthesis and molecular modeling of new 1-aryl-3-[4-arylpiperazin-1-yl]-1-propane derivatives with high affinity at the serotonin transporter and at 5-HT(1A) receptors. Abstract: It has been proposed that 5-HT(1A) receptor antagonists augment the antidepressant efficacy of selective serotonin (5-HT) reuptake inhibitors. In a search toward new and efficient antidepressants, 1-(aryl)-3-[4-arylpiperazin-1-yl]-1-propane molecular hybrids were designed, synthesized, and evaluated for 5-HT reup... aid3989.table aid3989.tbin
3990 1 Title: Synthesis and evaluation of 4-(2'-methoxyphenyl)-1-[2'-[N-(2&quot;-pyridinyl)-p- iodobenzamido]ethyl]piperazine (p-MPPI): a new iodinated 5-HT1A ligand. aid3990.table aid3990.tbin
3991 9 Title: Synthesis and pharmacological evaluation of potent and highly selective D3 receptor ligands: inhibition of cocaine-seeking behavior and the role of dopamine D3/D2 receptors. Abstract: The synthesis, pharmacological evaluation, and structure-activity relationships (SARs) of a series of novel arylalkylpiperazines structurally related to BP897 (3) are described. In binding studies, the new derivatives were tested against a panel of dopamine, serotonin, and noradrenaline receptor subtypes. Fo... aid3991.table aid3991.tbin
3992 4 Title: 7-[3-(1-piperidinyl)propoxy]chromenones as potential atypical antipsychotics. 2. Pharmacological profile of 7-[3-[4-(6-fluoro-1, 2-benzisoxazol-3-yl)-piperidin-1-yl]propoxy]-3-(hydroxymeth yl)chromen -4-one (abaperidone, FI-8602). Abstract: A series of novel 7-[3-(1-piperidinyl)propoxy]chromenones was synthesized and tested as potential antipsychotics in several in vitro and in vivo assays. The compounds possessed good affinity for D2 receptors, together with a greater affinity for 5-HT2 ... aid3992.table aid3992.tbin
3993 36 Title: Derivatives of 2-(dipropylamino)tetralin: effect of the C8-substituent on the interaction with 5-HT1A receptors. Abstract: A series of 2-(dipropylamino)tetralin derivatives in which the C8 substituent is varied has been prepared and evaluated pharmacologically to explore the importance of the C8 substituent in the interaction of 2-aminotetralin-based ligands with serotonin (5-HT1A) receptors. Enantiopure derivatives were prepared by facile palladium-catalyzed reactions of the triflates of... aid3993.table aid3993.tbin
3994 1 Title: Dihydrobenzofuran analogues of hallucinogens. 3. Models of 4-substituted (2,5-dimethoxyphenyl)alkylamine derivatives with rigidified methoxy groups. Abstract: Tetrahydrobenzodifuran functionalities were employed as conformationally restricted bioisosteres of the aromatic methoxy groups in prototypical hallucinogenic phenylalkylamines 1 and 2. Thus, a series of 8-substituted 1-(2,3,6,7-tetrahydrobenzo[1,2-b:4,5-b']difuran-4-yl)-2-aminoal kanes (7a-e) were prepared and evaluated for activit... aid3994.table aid3994.tbin
3995 8 Title: (S)-(-)-4-[4-[2-(isochroman-1-yl)ethyl]-piperazin-1-yl] benzenesulfonamide, a selective dopamine D4 antagonist. aid3995.table aid3995.tbin
3996 4 Title: 5-HT1A-receptor antagonism: N-alkyl derivatives of (R)-(-)-8,11-dimethoxynoraporphine. Abstract: Prompted by previous findings that a p-dimethoxy substitution pattern on an aromatic ring permits retention of dopaminergic agonist effects in certain ring systems, catechol derivatives of which are potent dopaminergic agonists, an 8,11-dimethoxy substitution pattern was introduced into the aporphine ring in place of the 10,11-dihydroxy moiety in apomorphine. Acid-catalyzed rearrangement of an... aid3996.table aid3996.tbin
3997 3 Title: N-(phthalimidoalkyl) derivatives of serotonergic agents: a common interaction at 5-HT1A serotonin binding sites? Abstract: Several classes of agents are known to bind at central 5-HT1A serotonin sites In order to challenge the hypothesis that these agents bind in a relatively similar manner (i.e., share common aryl and terminal amine sites), we prepared N-(phthalimidobutyl) derivatives of examples of several such agents. With regard to arylpiperazines, we had previously shown that introdu... aid3997.table aid3997.tbin
3998 1 Title: N-(phthalimidoalkyl) derivatives of serotonergic agents: a common interaction at 5-HT1A serotonin binding sites? Abstract: Several classes of agents are known to bind at central 5-HT1A serotonin sites In order to challenge the hypothesis that these agents bind in a relatively similar manner (i.e., share common aryl and terminal amine sites), we prepared N-(phthalimidobutyl) derivatives of examples of several such agents. With regard to arylpiperazines, we had previously shown that introdu... aid3998.table aid3998.tbin
3999 19 Title: N-(phthalimidoalkyl) derivatives of serotonergic agents: a common interaction at 5-HT1A serotonin binding sites? Abstract: Several classes of agents are known to bind at central 5-HT1A serotonin sites In order to challenge the hypothesis that these agents bind in a relatively similar manner (i.e., share common aryl and terminal amine sites), we prepared N-(phthalimidobutyl) derivatives of examples of several such agents. With regard to arylpiperazines, we had previously shown that introdu... aid3999.table aid3999.tbin
4000 12 Title: Synthesis and structure activity relationships of cis- and trans-2,3,4,4a,9,9a-hexahydro-1H-indeno[2,1-c]pyridines for 5-HT receptor subtypes. Abstract: A series of cis- and trans-fused hexahydroindeno[2,1-c]pyridines have been prepared and evaluated for affinity and selectivity at the 5-HT1A subtype of the serotonin receptor. Using molecular modeling studies we predicted that the 5-methoxy-trans-fused members of this class would exhibit affinity for this site. In agreement with these pre... aid4000.table aid4000.tbin
4001 24 Title: Synthesis and structure-affinity relationships of 1-[omega-(4-aryl-1-piperazinyl)alkyl]-1-aryl ketones as 5-HT(7) receptor ligands. Abstract: Structural requirements for 5-HT(7) receptor affinity and selectivity over that for the 5-HT(1A) receptor were studied on a series of 1-[omega-(4-aryl-1-piperazinyl)alkyl]-1-aryl ketones. The presence of a hydroxy or methoxy substituent on aryl ketone moiety, alkyl chain length, and the nature of N-1-piperazine substituent were explored. 6-[4-(3-Ben... aid4001.table aid4001.tbin
4002 16 Title: Novel potent sigma 1 ligands: N-[omega-(tetralin-1-yl)alkyl]piperidine derivatives. Abstract: A series of substituted N-[(tetralin-1-yl)alkyl]piperidines and a number of related N-di-n-propyl-[(tetralin-1-yl)alkyl]amines were prepared. Structural modifications such as piperidine substitutions, intermediate chain lengthening, and the nature of the aromatic ring were explored in order to identify structural requirements for selective sigma 1 affinity. They were tested in radioligand binding... aid4002.table aid4002.tbin
4003 2 Title: (R)-(+)-2-[[[3-(Morpholinomethyl)-2H-chromen-8-yl]oxy]methyl] morpholine methanesulfonate: a new selective rat 5-hydroxytryptamine1B receptor antagonist. Abstract: In the search for new 5-hydroxytryptamine (5-HT) receptor antagonists it was found that the compound (R)-(+)-2-[[[3-(morpholinomethyl)-2H-chromen-8-yl]oxy] methyl] morpholine methanesulfonate, (R)-25, is a selective rat 5-hydroxytryptamine1B (r5-HT1B) receptor antagonist. The binding profile showed a 13-fold preference for r5-H... aid4003.table aid4003.tbin
4004 6 Title: Novel potent and selective central 5-HT3 receptor ligands provided with different intrinsic efficacy. 2. Molecular basis of the intrinsic efficacy of arylpiperazine derivatives at the central 5-HT3 receptors. Abstract: Novel 5-HT3 receptor ligands were designed and synthesized with the aim of obtaining deeper insight into the molecular basis of the intrinsic efficacy of arylpiperazines interacting with the central 5-HT3 receptor. The newly synthesized compounds and some previously publish... aid4004.table aid4004.tbin
4005 2 Title: (R)-1,2,3,4-tetrahydro[1]benzothieno[2,3-c]pyridines: novel optically active compounds with strong 5-HT1A receptor binding ability exhibiting anticonflict activity and lessening of memory impairment. Abstract: (R)-1,2,3,4-Tetrahydro[1]benzothieno[2,3-c]pyridine derivatives (60-114) were synthesized. The (R)-isomers have affinity for the 5-HT1A receptor while the (S)-isomers have no such ability. The affinity of the (R)-isomers was discussed on the basis of structure-activity relationships... aid4005.table aid4005.tbin
4006 13 Title: N-[[1-(2-phenylethyl)pyrrolidin-2-yl]methyl]cyclohexanecarboxamides as selective 5-HT1A receptor agonists. Abstract: A series of benzamides was synthesized as selective agonists for the 5-HT1A receptor. It was found that (S)-N-[[1-(2-phenylethyl)pyrrolidin-2-yl]methyl]cyclohexanecarb oxamide(7-(S)) has potent and selective agonistic activity for the 5-HT1A receptor (5-HT1A; Ki 0.49 nmol/L, D2; IC50 = &gt;1000 nmol/L, 5-HT2; Ki = 240 nmol/L). aid4006.table aid4006.tbin
4007 1 Title: Activity of aromatic substituted phenylpiperazines lacking affinity for dopamine binding sites in a preclinical test of antipsychotic efficacy. Abstract: Generally, antipsychotic agents are dopamine receptor blocking agents that also block conditioned avoidance responding (CAR) in the rat. Recently, however, both (Q-methoxyphenyl)piperazine (OMPP, 1h) and (m-chlorophenyl)piperazine (MCPP, 1o) have been reported to block conditioned avoidance responding in the rat although neither has dopa... aid4007.table aid4007.tbin
4008 8 Title: Design and synthesis of S-(-)-2-[[4-(napht-1-yl)piperazin-1-yl]methyl]-1,4-dioxoperhydropyrrolo[1,2-a]pyrazine (CSP-2503) using computational simulation. A 5-HT1A receptor agonist. Abstract: Based on a computational model for 5-HT(1A)R-ligand interaction and QSAR studies, we have designed and synthesized a new series of arylpiperazines 2-8 which exhibit high 5-HT(1A)R affinity and selectivity over alpha(1)-adrenergic receptors. Among them, compound CSP-2503 (4) has been pharmacologically ... aid4008.table aid4008.tbin
4009 3 Title: Dopamine D(3) receptor antagonists. 1. Synthesis and structure-activity relationships of 5,6-dimethoxy-N-alkyl- and N-alkylaryl-substituted 2-aminoindans. Abstract: 5,6-Dimethoxy-2-(N-dipropyl)-aminoindan (3, PNU-99194A) was found to be a selective dopamine D(3) receptor antagonist with potential antipsychotic properties in animal models. To investigate the effects of nitrogen substitution on structure-activity relationships, a series of 5,6-dimethoxy-N-alkyl- and N-alkylaryl-substituted ... aid4009.table aid4009.tbin
4010 5 Title: Synthesis and dopaminergic activity of 3-substituted 1-(aminomethyl)-3,4-dihydro-5,6-dihydroxy-1H-2-benzopyrans: characterization of an auxiliary binding region in the D1 receptor. Abstract: The synthesis and dopaminergic activity of a series of C3 and nitrogen-substituted 1-(aminomethyl)-3,4-dihydro-5,6-dihydroxy-1H-2-benzopyrans (isochromans) is described. The synthesis of the compounds was stereospecific for the 1,3 cis isomer, and the enantioselective synthesis of both enantiomers of ... aid4010.table aid4010.tbin
4011 38 Title: Structure-affinity relationship study on N-[4-(4-arylpiperazin-1-yl)butyl]arylcarboxamides as potent and selective dopamine D(3) receptor ligands. Abstract: The benzamide PB12 (N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-3-methoxybenzamide) (1), already reported as potent and selective dopamine D(4) receptor ligand, has been modified searching for structural features that could lead to D(3) receptor affinity. Changes in the aromatic ring linked to N-1 piperazine ring led to the identifi... aid4011.table aid4011.tbin
4012 1 Title: Arylpiperazine derivatives as high-affinity 5-HT1A serotonin ligands. Abstract: Although simple arylpiperazines are commonly considered to be moderately selective for 5-HT1B serotonin binding sites, N4-substitution of such compounds can enhance their affinity for 5-HT1A sites and/or decrease their affinity for 5-HT1B sites. A small series of 4-substituted 1-arylpiperazines was prepared in an attempt to develop agents with high affinity for 5-HT1A sites. Derivatives where the aryl portion ... aid4012.table aid4012.tbin
4013 1 Title: Potent anticonflict activity and lessening of memory impairment with a series of novel [1]benzothieno[2,3-c]pyridines and 1,2,3,4-tetrahydro[1]benzothieno[2,3-c]pyridines. Abstract: [1]Benzothieno[2,3-c]pyridines (10a-c, 11, 12a-t, and 13a,b) and 1,2,3,4-tetrahydro[1]benzothieno[2,3-c]pyridines (3a-c, 7, 8a-c, and 9) were synthesized. The compounds are bioisosteres of beta-carbolines and 1,2,3,4-tetrahydro-beta-carbolines where the indole nitrogen is replaced by sulfur. Their pharmacologi... aid4013.table aid4013.tbin
4014 6 Title: Synthesis, absolute configuration, and biological profile of the enantiomers of trans-[2-(2,6-dimethoxyphenoxy)ethyl] [(3-p-tolyl-2,3-dihydro-1,4-benzodioxin-2-yl)methyl]amine (mephendioxan), a potent competitive alpha 1A-adrenoreceptor antagonist. Abstract: The enantiomers of trans-[2-(2,6-dimethoxyphenoxy)ethyl] [(3-p-tolyl-2,3-dihydro-1,4-benzodioxin-2-yl) methyl]amine (mephendioxan, 2) were synthesized from the chiral trans-3-p-tolyl-2,3-dihydro-1,4-benzodioxin-2-carboxylic acids [(+)... aid4014.table aid4014.tbin
4015 10 Title: 8-[4-[2-(1,2,3,4-Tetrahydroisoquinolinyl]butyl-8-azaspiro[4.5]decane-7,9-dione: a new 5-HT1A receptor ligand with the same activity profile as buspirone. Abstract: A new analog of buspirone (1), i.e., 8-[4-[2-(1,2,3,4-tetrahydroisoquinolinyl)]butyl]-8-azaspiro- [4.5]decane-7,9-dione (6a), was synthesized. In was demonstrated that buspirone and its analog 6a were equipotent 5-HT(1A) ligands. Several behavioral models showed that 6a had essentially the same functional profile at 5-HT(1A) re... aid4015.table aid4015.tbin
4016 18 Title: Analogues of the 5-HT1A serotonin antagonist 1-(2-methoxyphenyl)-4-[4-(2-phthalimido)butyl]piperazine with reduced alpha 1-adrenergic affinity. Abstract: 1-(2-Methoxyphenyl)-4-[4-(2-phthalimido)butyl]piperazine (NAN-190; 1a) is a putative postsynaptic 5-HT1A serotonin antagonist. This high affinity ligand (Ki = 0.6 nM), although selective for 5-HT1A versus other 5-HT receptors, binds with nearly equal affinity at alpha 1-adrenergic receptors (Ki = 0.8 nm). Structure-affinity relationship ... aid4016.table aid4016.tbin
4017 3 Title: (S)-5-fluoro-8-hydroxy-2-(dipropylamino)tetralin: a putative 5-HT1A-receptor antagonist. aid4017.table aid4017.tbin
4018 2 Title: (S)-5-fluoro-8-hydroxy-2-(dipropylamino)tetralin: a putative 5-HT1A-receptor antagonist. aid4018.table aid4018.tbin
4019 14 Title: Alpha1-adrenoceptor antagonists. 6. Structural optimization of pyridazinone-arylpiperazines. Study of the influence on affinity and selectivity of cyclic substituents at the pyridazinone ring and alkoxy groups at the arylpiperazine moiety. Abstract: In continuing our search for selective alpha(1)-adrenoceptor (AR) antagonists, we have synthesized new alkoxyarylpiperazinylalkylpyridazinone derivatives. The new compounds were tested for their affinity toward alpha(1)- and alpha(2)-AR and to... aid4019.table aid4019.tbin
4020 11 Title: Design and synthesis of new benzimidazole-arylpiperazine derivatives acting as mixed 5-HT1A/5-HT3 ligands. Abstract: A series of new benzimidazole-arylpiperazine derivatives III were designed, synthesized and evaluated for binding affinity at serotoninergic 5-HT(1A) and 5-HT(3) receptors. Compound IIIc was identified as a novel mixed 5-HT(1A)/5-HT(3) ligand with high affinity for both serotonin receptors and excellent selectivity over alpha(1)-adrenergic and dopamine D(2) receptors. This ... aid4020.table aid4020.tbin
4021 5 Title: Dihydrobenzofuran analogues of hallucinogens. 3. Models of 4-substituted (2,5-dimethoxyphenyl)alkylamine derivatives with rigidified methoxy groups. Abstract: Tetrahydrobenzodifuran functionalities were employed as conformationally restricted bioisosteres of the aromatic methoxy groups in prototypical hallucinogenic phenylalkylamines 1 and 2. Thus, a series of 8-substituted 1-(2,3,6,7-tetrahydrobenzo[1,2-b:4,5-b']difuran-4-yl)-2-aminoal kanes (7a-e) were prepared and evaluated for activit... aid4021.table aid4021.tbin
4022 1 Title: Dihydrobenzofuran analogues of hallucinogens. 3. Models of 4-substituted (2,5-dimethoxyphenyl)alkylamine derivatives with rigidified methoxy groups. Abstract: Tetrahydrobenzodifuran functionalities were employed as conformationally restricted bioisosteres of the aromatic methoxy groups in prototypical hallucinogenic phenylalkylamines 1 and 2. Thus, a series of 8-substituted 1-(2,3,6,7-tetrahydrobenzo[1,2-b:4,5-b']difuran-4-yl)-2-aminoal kanes (7a-e) were prepared and evaluated for activit... aid4022.table aid4022.tbin
4023 45 Title: Derivatives of (R)- and (S)-5-fluoro-8-hydroxy-2-(dipropylamino)tetralin: synthesis and interactions with 5-HT1A receptors. Abstract: Analogs of the 5-HT1A receptor antagonist (S)-5-fluoro-8-hydroxy-2-(dipropylamino)tetralin [(S)-1,(S)-UH301] have been prepared. The C8-substituent has been varied, and in some derivatives one of the N-propyl groups has been exchanged for a 4-(8-aza-7,9-dioxospiro[4.5]decan-8-yl)-butyl group. The novel compounds have been evaluated for affinity to rat brain... aid4023.table aid4023.tbin
4024 24 Title: trans-4-[4-(Methoxyphenyl)cyclohexyl]-1-arylpiperazines: a new class of potent and selective 5-HT(1A) receptor ligands as conformationally constrained analogues of 4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-1-arylpiperazines. Abstract: The present paper concerns the influence of conformational parameters on the recognition by rat 5-HT1A receptors of derivatives 4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-1-(2-pyridinyl)piperazine (1a) and 3-(5-methoxy-1,2,3,4-... aid4024.table aid4024.tbin
4025 1 Title: Synthesis and pharmacological characterization of novel 6-fluorochroman derivatives as potential 5-HT1A receptor antagonists. Abstract: A series of novel 6-fluorochroman derivatives was prepared and evaluated as antagonists for the 5-HT1A receptor. N-2-[[(6-Fluorochroman-8-yl)oxy]ethyl]-4-(4-methoxyphenyl)butylami ne (3; J. Med. Chem. 1997, 40, 1252-1257) was chosen as a lead, and structural modifications were done on the aliphatic portion of the chroman ring, the tether linking the middl... aid4025.table aid4025.tbin
4026 32 Title: Synthesis and pharmacological characterization of novel 6-fluorochroman derivatives as potential 5-HT1A receptor antagonists. Abstract: A series of novel 6-fluorochroman derivatives was prepared and evaluated as antagonists for the 5-HT1A receptor. N-2-[[(6-Fluorochroman-8-yl)oxy]ethyl]-4-(4-methoxyphenyl)butylami ne (3; J. Med. Chem. 1997, 40, 1252-1257) was chosen as a lead, and structural modifications were done on the aliphatic portion of the chroman ring, the tether linking the middl... aid4026.table aid4026.tbin
4027 1 Title: Synthesis and pharmacological characterization of novel 6-fluorochroman derivatives as potential 5-HT1A receptor antagonists. Abstract: A series of novel 6-fluorochroman derivatives was prepared and evaluated as antagonists for the 5-HT1A receptor. N-2-[[(6-Fluorochroman-8-yl)oxy]ethyl]-4-(4-methoxyphenyl)butylami ne (3; J. Med. Chem. 1997, 40, 1252-1257) was chosen as a lead, and structural modifications were done on the aliphatic portion of the chroman ring, the tether linking the middl... aid4027.table aid4027.tbin
4028 1 Title: Synthesis and pharmacological characterization of novel 6-fluorochroman derivatives as potential 5-HT1A receptor antagonists. Abstract: A series of novel 6-fluorochroman derivatives was prepared and evaluated as antagonists for the 5-HT1A receptor. N-2-[[(6-Fluorochroman-8-yl)oxy]ethyl]-4-(4-methoxyphenyl)butylami ne (3; J. Med. Chem. 1997, 40, 1252-1257) was chosen as a lead, and structural modifications were done on the aliphatic portion of the chroman ring, the tether linking the middl... aid4028.table aid4028.tbin
4029 28 Title: 5-HT1A-versus D2-receptor selectivity of flesinoxan and analogous N4-substituted N1-arylpiperazines. Abstract: We investigated the structural requirements for high 5-HT1A affinity of the agonist flesinoxan and its selectivity versus D2 receptors. For this purpose a series of arylpiperazine congeners of flesinoxan were synthesized and evaluated for their ability to displace [3H]-8-OH-DPAT and [3H]spiperone from their specific binding sites in rat frontal cortex homogenates and rat striatum... aid4029.table aid4029.tbin
4030 1 Title: Synthesis and dopaminergic activity of 3-substituted 1-(aminomethyl)-3,4-dihydro-5,6-dihydroxy-1H-2-benzopyrans: characterization of an auxiliary binding region in the D1 receptor. Abstract: The synthesis and dopaminergic activity of a series of C3 and nitrogen-substituted 1-(aminomethyl)-3,4-dihydro-5,6-dihydroxy-1H-2-benzopyrans (isochromans) is described. The synthesis of the compounds was stereospecific for the 1,3 cis isomer, and the enantioselective synthesis of both enantiomers of ... aid4030.table aid4030.tbin
4031 1 Title: Pyrimido[5,4-b]indole derivatives. 1. A new class of potent and selective alpha 1 adrenoceptor ligands. Abstract: A number of 3-substituted pyrimido[5,4-b]indole-2,4-diones (7-23) were evaluated for their in vitro alpha 1 adrenoceptor affinity by radioligand receptor binding assays. Some compounds bearing a (phenylpiperazinyl)alkyl side chain were potent alpha 1 adrenoceptor ligands. The most active derivative in displacement of [3H]prazosin from rat cortical membranes was 3-[2-[4-(2-meth... aid4031.table aid4031.tbin
4032 8 Title: Pyrimido[5,4-b]indole derivatives. 1. A new class of potent and selective alpha 1 adrenoceptor ligands. Abstract: A number of 3-substituted pyrimido[5,4-b]indole-2,4-diones (7-23) were evaluated for their in vitro alpha 1 adrenoceptor affinity by radioligand receptor binding assays. Some compounds bearing a (phenylpiperazinyl)alkyl side chain were potent alpha 1 adrenoceptor ligands. The most active derivative in displacement of [3H]prazosin from rat cortical membranes was 3-[2-[4-(2-meth... aid4032.table aid4032.tbin
4033 8 Title: Pyrimido[5,4-b]indole derivatives. 1. A new class of potent and selective alpha 1 adrenoceptor ligands. Abstract: A number of 3-substituted pyrimido[5,4-b]indole-2,4-diones (7-23) were evaluated for their in vitro alpha 1 adrenoceptor affinity by radioligand receptor binding assays. Some compounds bearing a (phenylpiperazinyl)alkyl side chain were potent alpha 1 adrenoceptor ligands. The most active derivative in displacement of [3H]prazosin from rat cortical membranes was 3-[2-[4-(2-meth... aid4033.table aid4033.tbin
4034 8 Binding affinity against [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor expressed in CHO-K1 cells aid4034.table aid4034.tbin
4035 7 Title: N,N-di-n-propylserotonin: binding at serotonin binding sites and a comparison with 8-hydroxy-2-(di-n-propylamino)tetralin. Abstract: 8-Hydroxy-2-(di-n-propylamino)tetralin (8-OH-DPAT) is a serotonergic agonist with high affinity and selectivity for a particular population of central serotonin (5-HT) binding sites (i.e., 5-HT1A sites). Because the selectivity of 8-OH-DPAT may be due to the terminal amine substituents, the di-n-propyl analogue of 5-HT (i.e., 4) and of 5-methoxytryptamine (i... aid4035.table aid4035.tbin
4036 10 Title: Synthesis of (R,S)-trans-8-hydroxy-2-[N-n-propyl-N-(3'-iodo-2'-propenyl)amino]tetral in (trans-8-OH-PIPAT): a new 5-HT1A receptor ligand. Abstract: In order to develop tracers with higher specific activity to supplant the currently used [3H]-8-OH-DPAT [8-hydroxy-2-(N,N-di-n-propylamino)tetralin] for in vitro and in vivo evaluation of 5-HT1A receptors, a new radioiodinated ligand was prepared. (R,S)-trans-8- Hydroxy-2-[N-n-propyl-N-(3'-iodo-2'-propenyl)amino]tetralin (trans-8-OH-PIPAT), 8,... aid4036.table aid4036.tbin
4037 5 Title: Synthesis of (R,S)-trans-8-hydroxy-2-[N-n-propyl-N-(3'-iodo-2'-propenyl)amino]tetral in (trans-8-OH-PIPAT): a new 5-HT1A receptor ligand. Abstract: In order to develop tracers with higher specific activity to supplant the currently used [3H]-8-OH-DPAT [8-hydroxy-2-(N,N-di-n-propylamino)tetralin] for in vitro and in vivo evaluation of 5-HT1A receptors, a new radioiodinated ligand was prepared. (R,S)-trans-8- Hydroxy-2-[N-n-propyl-N-(3'-iodo-2'-propenyl)amino]tetralin (trans-8-OH-PIPAT), 8,... aid4037.table aid4037.tbin
4038 2 Title: alpha1-Adrenoceptor antagonists. 5. Pyridazinone-arylpiperazines. Probing the influence on affinity and selectivity of both ortho-alkoxy groups at the arylpiperazine moiety and cyclic substituents at the pyridazinone nucleus. Abstract: Our previous work on pyridazinone-arylpiperazine derivatives suggested some structural features that a compound should have to show high affinity and good selectivity for alpha(1) adrenoceptors (AR) with respect to alpha(2)-AR. Accordingly, two classes of n... aid4038.table aid4038.tbin
4039 18 Title: Synthesis and molecular modeling of new 1-aryl-3-[4-arylpiperazin-1-yl]-1-propane derivatives with high affinity at the serotonin transporter and at 5-HT(1A) receptors. Abstract: It has been proposed that 5-HT(1A) receptor antagonists augment the antidepressant efficacy of selective serotonin (5-HT) reuptake inhibitors. In a search toward new and efficient antidepressants, 1-(aryl)-3-[4-arylpiperazin-1-yl]-1-propane molecular hybrids were designed, synthesized, and evaluated for 5-HT reup... aid4039.table aid4039.tbin
4040 7 Title: alpha1-Adrenoceptor antagonists. 5. Pyridazinone-arylpiperazines. Probing the influence on affinity and selectivity of both ortho-alkoxy groups at the arylpiperazine moiety and cyclic substituents at the pyridazinone nucleus. Abstract: Our previous work on pyridazinone-arylpiperazine derivatives suggested some structural features that a compound should have to show high affinity and good selectivity for alpha(1) adrenoceptors (AR) with respect to alpha(2)-AR. Accordingly, two classes of n... aid4040.table aid4040.tbin
4041 1 Title: Design and synthesis of N-alkylated saccharins as selective alpha-1a adrenergic receptor antagonists. Abstract: Benign prostatic hyperplasia can be managed pharmacologically with alpha-1 adrenergic receptor antagonists. Agents that demonstrate selectivity for the alpha-1a receptor subtype may offer advantages in clinical applications with respect to hypotensive side effects. The N-alkylated saccharins reported here represent a new class of subtype selective alpha-1a adrenergic receptor an... aid4041.table aid4041.tbin
4042 48 Title: Piperazinylalkyl heterocycles as potential antipsychotic agents. Abstract: We recently reported on a series of pyrrole Mannich bases orally active in inhibiting the conditioned avoidance response (CAR) in rats. These compounds exhibit affinity for both D2 and 5-HT1A receptors, and some are noncataleptogenic. Such a profile suggests that they may be potential antipsychotic agents which lack the propensity for causing extrapyramidal side effects and tardive dyskinesias in humans. One of the... aid4042.table aid4042.tbin
4043 4 Title: 5-HT1 and 5-HT2 binding profiles of the serotonergic agents alpha-methylserotonin and 2-methylserotonin. Abstract: alpha-Methyl-5-hydroxytryptamine (alpha-Me-5-HT; 2) and 2-methyl-5-hydroxytryptamine (2-Me-5-HT; 3) are considered to be 5-HT2-selective and 5-HT3-selective agents, respectively. These agents were synthesized and examined at serotonin (5-HT) binding sites because there is relatively little documentation as to their selectivity and because they have not been previously examine... aid4043.table aid4043.tbin
4044 10 Title: Stereoselective LSD-like activity in a series of d-lysergic acid amides of (R)- and (S)-2-aminoalkanes. Abstract: The 3-pentyl-, (R)- and (S)-2-pentyl-, 2-hexyl-, and 2-heptylamides of d-lysergic acid were synthesized and evaluated in biochemical and behavioral assays for LSD-like activity. In radioligand competition studies, the (R)-lysergamides were consistently more potent than the (S)-amides in displacing [3H]ketanserin from 5-HT2A receptors in rat cortical homogenate and in displacin... aid4044.table aid4044.tbin
4045 5 Title: Derivatives of (R)-1,11-methyleneaporphine: synthesis, structure, and interactions with G-protein coupled receptors. Abstract: The design and synthesis of a well-characterized novel ring system, (R)-lambda1,11-methyleneaporphine [(R)-4], and 15 derivatives thereof are presented. The addition of various nucleophiles to (R)-lambda1,11-carbonylaporphine [(R)-11] or to the 1,11-hydroxymethyleneaporphine epimers gave separable mixtures of epimers. The epimeric ratios obtained in most reactions... aid4045.table aid4045.tbin
4046 1 Title: (S)-5-fluoro-8-hydroxy-2-(dipropylamino)tetralin: a putative 5-HT1A-receptor antagonist. aid4046.table aid4046.tbin
4047 1 Title: Naphthosultam derivatives: a new class of potent and selective 5-HT2 antagonists. Abstract: A series of 2-(aminoalkyl)naphth[1,8-cd]isothiazole 1,1-dioxides was synthesized and examined in various receptor binding tests. Most compounds demonstrated high affinity for the 5-HT2 receptor with moderate to high selectivity. A member of this series, compound 24 (RP 62203), displays high 5-HT2 receptor affinity (Ki = 0.26 nM), which is respectively more than 100 and 1000 times higher than its af... aid4047.table aid4047.tbin
4048 1 Title: Naphthosultam derivatives: a new class of potent and selective 5-HT2 antagonists. Abstract: A series of 2-(aminoalkyl)naphth[1,8-cd]isothiazole 1,1-dioxides was synthesized and examined in various receptor binding tests. Most compounds demonstrated high affinity for the 5-HT2 receptor with moderate to high selectivity. A member of this series, compound 24 (RP 62203), displays high 5-HT2 receptor affinity (Ki = 0.26 nM), which is respectively more than 100 and 1000 times higher than its af... aid4048.table aid4048.tbin
4049 5 Title: Studies on quinazolines and 1,2,4-benzothiadiazine 1,1-dioxides. 8.1, 2 synthesis and pharmacological evaluation of tricyclic fused quinazolines and 1,2,4-benzothiadiazine 1,1-dioxides as potential alpha1-adrenoceptor antagonists. Abstract: A series of 2-substituted methyl 2,3-dihydroimidazo[1, 2-c]quinazolin-5(6H)-ones (4), 3-substituted methyl 2, 3-dihydroimidazo[1,2-c]quinazolin-5(6H)-ones (5), 3-substituted methyl 2,3-dihydro-5H-thiazolo[2,3-b]quinazolin-5-ones (15a,b), 3-substituted ... aid4049.table aid4049.tbin
4050 11 Title: Novel (R)-2-amino-5-fluorotetralins: dopaminergic antagonists and inverse agonists. Abstract: A series of secondary and tertiary N-alkyl derivatives of (R)-2-amino-5-fluorotetralin have been prepared. The affinities of the compounds for [3H]raclopride-labeled cloned human dopamine (DA) D2 and D3 receptors as well as [3H]-8-OH-DPAT-labeled rat hippocampal 5-HT1A receptors were determined. In order to selectively determine affinities for the high-affinity agonist binding site at DA D2 recep... aid4050.table aid4050.tbin
4051 15 Title: 2-(Alkylamino)tetralin derivatives: interaction with 5-HT1A serotonin binding sites. Abstract: 8-Hydroxy-2-(di-n-propylamino)tetralin (8-OH-DPAT) is a selective 5-HT1A serotonin agonist. Derivatives of 8-OH-DPAT with amine substituents larger or more bulky than n-propyl appear to be inactive in a presynaptic biochemical assay measuring agonist-induced feedback inhibition of 5-HT synthesis but have never been examined in brain binding assays. A series of N-phenylalkyl derivatives of 8-meth... aid4051.table aid4051.tbin
4052 14 Title: High potent and selective arylpiperazine derivatives as ligands for the 5-HT1A receptor. Abstract: This paper reports the synthesis and affinities on the 5-HT1A versus the alpha1A receptors of new arylpiperazinylalkylthiothienopyrimidine and thiadiazole derivatives 16-24. Arylpiperazines 16-23 show affinities values in the nanomolar range for the 5-HT1A receptor. The compound 16 is highly potent (Ki 0.26 nM, selectivity 28), the derivatives 20 and 21 are less potent, but highly selective ... aid4052.table aid4052.tbin
4053 2 Title: 3-[4-[1-(6-Fluorobenzo[b]thiophen-3-yl)-4-piperazinyl]butyl]- 2,5,5-trimethyl-4-thiazolidinone: a new atypical antipsychotic agent for the treatment of schizophrenia. aid4053.table aid4053.tbin
4054 1 Title: 3-[4-[1-(6-Fluorobenzo[b]thiophen-3-yl)-4-piperazinyl]butyl]- 2,5,5-trimethyl-4-thiazolidinone: a new atypical antipsychotic agent for the treatment of schizophrenia. aid4054.table aid4054.tbin
4055 26 Ability to displace [3H]-8-OH-DPAT from serotonergic 5-hydroxytryptamine 1A receptor aid4055.table aid4055.tbin
4056 17 Binding affinity at 5-hydroxytryptamine 1A receptor in rat cerebral cortex membranes by [3H]8-OH-DPAT displacement. aid4056.table aid4056.tbin
4057 8 Compound was evaluated for its ability to displace [3H]8-OH-DPAT from serotonergic 5-hydroxytryptamine 1A receptor aid4057.table aid4057.tbin
4058 46 Title: Orally active benzamide antipsychotic agents with affinity for dopamine D2, serotonin 5-HT1A, and adrenergic alpha1 receptors. Abstract: New antipsychotic drugs are needed because current therapy is ineffective for many schizophrenics and because treatment is often accompanied by extrapyramidal symptoms and dyskinesias. This paper describes the design, synthesis, and evaluation of a series of related (aminomethyl)benzamides in assays predictive of antipsychotic activity in humans. These c... aid4058.table aid4058.tbin
4059 86 Title: New 1-aryl-3-(4-arylpiperazin-1-yl)propane derivatives, with dual action at 5-HT1A serotonin receptors and serotonin transporter, as a new class of antidepressants. Abstract: In a search toward new and efficient antidepressants, 1-aryl-3-(4-arylpiperazin-1-yl)propane derivatives were designed, synthesized, and evaluated for 5-HT reuptake inhibition and 5-HT1A receptor antagonism. This dual pharmacological profile should lead, in principle, to a rapid and pronounced enhancement in serotoni... aid4059.table aid4059.tbin
4060 12 Title: Synthesis and pharmacological evaluation of 6-piperidino- and 6-piperazinoalkyl-2(3H)-benzothiazolones as mixed sigma/5-HT(1A) ligands. Abstract: In an effort to produce new pharmacological probes with mixed sigma/5-HT(1A) affinity, we have synthesized a series of 12 original 6-piperidino- or piperazino-alkyl-2(3H)-benzothiazolones and their receptor binding profile (sigma, 5-HT(1A), 5-HT(2A), 5-HT(3), D(2), H(1), and M(1)) was determined. The best mixed sigma/5-HT(1A) affinity profile wa... aid4060.table aid4060.tbin
4061 3 Title: Orally active benzamide antipsychotic agents with affinity for dopamine D2, serotonin 5-HT1A, and adrenergic alpha1 receptors. Abstract: New antipsychotic drugs are needed because current therapy is ineffective for many schizophrenics and because treatment is often accompanied by extrapyramidal symptoms and dyskinesias. This paper describes the design, synthesis, and evaluation of a series of related (aminomethyl)benzamides in assays predictive of antipsychotic activity in humans. These c... aid4061.table aid4061.tbin
4062 54 Title: Synthesis and structure-activity relationships of a new model of arylpiperazines. 1. 2-[[4-(o-methoxyphenyl)piperazin-1-yl]methyl]-1, 3-dioxoperhydroimidazo[1,5-alpha]pyridine: a selective 5-HT1A receptor agonist. Abstract: A series of new bicyclohydantoin-arylpiperazines was prepared and evaluated for affinity at 5-HT1A, alpha 1, and D2 receptors. Most of the compounds showed very low affinity for D2 receptors, and most of them demonstrated moderate to high affinity for 5-HT1A and alpha ... aid4062.table aid4062.tbin
4063 22 Title: Structure-activity relationship studies of central nervous system agents. 5. Effect of the hydrocarbon chain on the affinity of 4-substituted 1-(3-chlorophenyl)piperazines for 5-HT1A receptor site. Abstract: The effect of the hydrocarbon chain of the model 4-substituted 1-(3-chlorophenyl)piperazines 12-31 on their affinity for 5-HT1A receptor sites was investigated. It was found that elongation of the 4-n-alkyl chain strongly increases the 5-HT1A affinity of the investigated compounds. Th... aid4063.table aid4063.tbin
4064 2 Title: Structure-activity relationship studies of central nervous system agents. 5. Effect of the hydrocarbon chain on the affinity of 4-substituted 1-(3-chlorophenyl)piperazines for 5-HT1A receptor site. Abstract: The effect of the hydrocarbon chain of the model 4-substituted 1-(3-chlorophenyl)piperazines 12-31 on their affinity for 5-HT1A receptor sites was investigated. It was found that elongation of the 4-n-alkyl chain strongly increases the 5-HT1A affinity of the investigated compounds. Th... aid4064.table aid4064.tbin
4065 15 Title: Spiperone: influence of spiro ring substituents on 5-HT2A serotonin receptor binding. Abstract: Spiperone (1) is a widely used pharmacological tool that acts as a potent dopamine D2, serotonin 5-HT1A, and serotonin 5-HT2A antagonist. Although spiperone also binds at 5-HT2C receptors, it is one of the very few agents that display some (ca. 1000-fold) binding selectivity for 5-HT2A versus 5-HT2C receptors and, hence, might serve as a useful template for the development of novel 5-HT2A antag... aid4065.table aid4065.tbin
4066 20 Title: N-Substituted (2,3-dihydro-1,4-benzodioxin-2-yl)methylamine derivatives as D(2) antagonists/5-HT(1A) partial agonists with potential as atypical antipsychotic agents. Abstract: A series of N-substituted 1-(2,3-dihydro-1, 4-benzodioxin-2-yl)methylamine derivatives with D(2) antagonist/5-HT(1A) partial agonist activity has been prepared as potential atypical antipsychotic agents. Optimization of in vitro receptor binding activity and in vivo activity in rodent models of psychosis has led to... aid4066.table aid4066.tbin
4067 3 Title: Dopamine D3 and D4 receptor antagonists: synthesis and structure--activity relationships of (S)-(+)-N-(1-Benzyl-3-pyrrolidinyl)-5-chloro-4- [(cyclopropylcarbonyl) amino]-2-methoxybenzamide (YM-43611) and related compounds. Abstract: In this study, we synthesized a series of (S)-N-(3-pyrrolidinyl)benzamide derivatives, 1, 2a-d, 5a-1, and 7, and their enantiomers, (R)-1 and (R)-5c-e, and evaluated their binding affinity for cloned dopamine D2, D3, and D4 receptors and their inhibitory activ... aid4067.table aid4067.tbin
4068 2 Title: Thieno[3,2-b]- and thieno[2,3-b]pyrrole bioisosteric analogues of the hallucinogen and serotonin agonist N,N-dimethyltryptamine. Abstract: The synthesis and biological activity of 6-[2-(N, N-dimethylamino)ethyl]-4H-thieno[3,2-b]pyrrole (3a) and 4-[2-(N, N-dimethylamino)ethyl]-6H-thieno[2,3-b]pyrrole (3b), thienopyrroles as potential bioisosteres of N,N-dimethyltryptamine (1a), are reported. Hallucinogen-like activity was evaluated in the two-lever drug discrimination paradigm using LSD- a... aid4068.table aid4068.tbin
4069 1 Title: Thieno[3,2-b]- and thieno[2,3-b]pyrrole bioisosteric analogues of the hallucinogen and serotonin agonist N,N-dimethyltryptamine. Abstract: The synthesis and biological activity of 6-[2-(N, N-dimethylamino)ethyl]-4H-thieno[3,2-b]pyrrole (3a) and 4-[2-(N, N-dimethylamino)ethyl]-6H-thieno[2,3-b]pyrrole (3b), thienopyrroles as potential bioisosteres of N,N-dimethyltryptamine (1a), are reported. Hallucinogen-like activity was evaluated in the two-lever drug discrimination paradigm using LSD- a... aid4069.table aid4069.tbin
4070 2 Title: Synthesis and pharmacological evaluation of 1-(aminomethyl)-3,4-dihydro-5-hydroxy-1H-2-benzopyrans as dopamine D1 selective ligands. Abstract: A series of 3-substituted 1-(aminomethyl)-3,4-dihydro-5-hydroxy-1H-2- benzopyrans were prepared as potential D1 selective antagonists. The compounds were evaluated for their affinity and selectivity for the D1 receptor as well as for their functional antagonism of D1-mediated pharmacological events. The compounds show potent D1 antagonist propertie... aid4070.table aid4070.tbin
4071 23 Title: Derivatives of cis-2-amino-8-hydroxy-1-methyltetralin: mixed 5-HT1A-receptor agonists and dopamine D2-receptor antagonists. Abstract: (1S,2R)-8-Hydroxy-1-methyl-2-(dipropylamino)tetralin [(1S,2R)-3] has been previously characterized as a selective and potent but partial 5-HT1A-receptor agonist. In the present study, we have prepared derivatives of (1S,2R)- and (1R,2S)-3 in which various C8-substituents have been introduced. In addition, the enantiomers of the N-isopropyl-N-n-propylamino d... aid4071.table aid4071.tbin
4072 21 Title: 11-substituted (R)-aporphines: synthesis, pharmacology, and modeling of D2A and 5-HT1A receptor interactions. Abstract: A series of C11-substituted (R)-aporphines and C11-oxygenated (R)-noraporphines has been synthesized and evaluated for central serotonergic and dopaminergic effects in vitro and in vivo. The various C11-substituents were introduced using efficient nickel- and palladium-catalyzed reactions of the corresponding triflate (R)-11-[[(trifluoromethyl)sulfonyl]oxy]aporphine (6).... aid4072.table aid4072.tbin
4073 32 Title: New (2-methoxyphenyl)piperazine derivatives as 5-HT1A receptor ligands with reduced alpha 1-adrenergic activity. Synthesis and structure-affinity relationships. Abstract: New 2-(methoxyphenyl)piperazine derivatives 1 and 2 containing a terminal heteroaryl or cycloalkyl amide fragment were prepared and their 5-HT1A affinities evaluated by radioligand binding assays. The influence of the alkyl chain length or the amide group on affinity was evaluated. A four-carbon chain appears to be optim... aid4073.table aid4073.tbin
4074 21 Title: 10-substituted 11-oxygenated (R)-aporphines: synthesis, pharmacology, and modeling of 5-HT1A receptor interactions. Abstract: Derivatives of the selective serotonin 5-HT1A receptor agonist (R)-11-hydroxy-10-methylaporphine (2) having various substituents in the C10-position or at the nitrogen have been synthesized from natural morphine or 6-O-acetylcodeine, respectively. The C10-substituents were introduced using efficient Stille or Suzuki cross-coupling reactions. The compounds were eval... aid4074.table aid4074.tbin
4075 1 Title: Synthesis and structure-activity relationship of substituted tetrahydro- and hexahydro-1,2-benzisothiazol-3-one 1,1-dioxides and thiadiazinones: potential anxiolytic agents. Abstract: Several novel substituted tetrahydro- and hexahydro-1,2-benzisothiazol-3-one 1,1-dioxides and thiadiazinones were prepared and examined in a series of in vitro and in vivo tests to determine their pharmacological profile. Most compounds were orally active in blocking the conditioned avoidance response (CAR) ... aid4075.table aid4075.tbin
4076 2 Title: Synthesis and structure-activity relationship of substituted tetrahydro- and hexahydro-1,2-benzisothiazol-3-one 1,1-dioxides and thiadiazinones: potential anxiolytic agents. Abstract: Several novel substituted tetrahydro- and hexahydro-1,2-benzisothiazol-3-one 1,1-dioxides and thiadiazinones were prepared and examined in a series of in vitro and in vivo tests to determine their pharmacological profile. Most compounds were orally active in blocking the conditioned avoidance response (CAR) ... aid4076.table aid4076.tbin
4077 1 Title: Synthesis and structure-activity relationship of substituted tetrahydro- and hexahydro-1,2-benzisothiazol-3-one 1,1-dioxides and thiadiazinones: potential anxiolytic agents. Abstract: Several novel substituted tetrahydro- and hexahydro-1,2-benzisothiazol-3-one 1,1-dioxides and thiadiazinones were prepared and examined in a series of in vitro and in vivo tests to determine their pharmacological profile. Most compounds were orally active in blocking the conditioned avoidance response (CAR) ... aid4077.table aid4077.tbin
4078 1 Title: Synthesis and structure-activity relationship of substituted tetrahydro- and hexahydro-1,2-benzisothiazol-3-one 1,1-dioxides and thiadiazinones: potential anxiolytic agents. Abstract: Several novel substituted tetrahydro- and hexahydro-1,2-benzisothiazol-3-one 1,1-dioxides and thiadiazinones were prepared and examined in a series of in vitro and in vivo tests to determine their pharmacological profile. Most compounds were orally active in blocking the conditioned avoidance response (CAR) ... aid4078.table aid4078.tbin
4079 1 Title: Synthesis and structure-activity relationship of substituted tetrahydro- and hexahydro-1,2-benzisothiazol-3-one 1,1-dioxides and thiadiazinones: potential anxiolytic agents. Abstract: Several novel substituted tetrahydro- and hexahydro-1,2-benzisothiazol-3-one 1,1-dioxides and thiadiazinones were prepared and examined in a series of in vitro and in vivo tests to determine their pharmacological profile. Most compounds were orally active in blocking the conditioned avoidance response (CAR) ... aid4079.table aid4079.tbin
4080 1 Title: Synthesis and structure-activity relationship of substituted tetrahydro- and hexahydro-1,2-benzisothiazol-3-one 1,1-dioxides and thiadiazinones: potential anxiolytic agents. Abstract: Several novel substituted tetrahydro- and hexahydro-1,2-benzisothiazol-3-one 1,1-dioxides and thiadiazinones were prepared and examined in a series of in vitro and in vivo tests to determine their pharmacological profile. Most compounds were orally active in blocking the conditioned avoidance response (CAR) ... aid4080.table aid4080.tbin
4081 1 Title: Synthesis and structure-activity relationship of substituted tetrahydro- and hexahydro-1,2-benzisothiazol-3-one 1,1-dioxides and thiadiazinones: potential anxiolytic agents. Abstract: Several novel substituted tetrahydro- and hexahydro-1,2-benzisothiazol-3-one 1,1-dioxides and thiadiazinones were prepared and examined in a series of in vitro and in vivo tests to determine their pharmacological profile. Most compounds were orally active in blocking the conditioned avoidance response (CAR) ... aid4081.table aid4081.tbin
4082 1 Title: Synthesis and structure-activity relationship of substituted tetrahydro- and hexahydro-1,2-benzisothiazol-3-one 1,1-dioxides and thiadiazinones: potential anxiolytic agents. Abstract: Several novel substituted tetrahydro- and hexahydro-1,2-benzisothiazol-3-one 1,1-dioxides and thiadiazinones were prepared and examined in a series of in vitro and in vivo tests to determine their pharmacological profile. Most compounds were orally active in blocking the conditioned avoidance response (CAR) ... aid4082.table aid4082.tbin
4083 1 Title: Synthesis and structure-activity relationship of substituted tetrahydro- and hexahydro-1,2-benzisothiazol-3-one 1,1-dioxides and thiadiazinones: potential anxiolytic agents. Abstract: Several novel substituted tetrahydro- and hexahydro-1,2-benzisothiazol-3-one 1,1-dioxides and thiadiazinones were prepared and examined in a series of in vitro and in vivo tests to determine their pharmacological profile. Most compounds were orally active in blocking the conditioned avoidance response (CAR) ... aid4083.table aid4083.tbin
4084 1 Title: Synthesis and structure-activity relationship of substituted tetrahydro- and hexahydro-1,2-benzisothiazol-3-one 1,1-dioxides and thiadiazinones: potential anxiolytic agents. Abstract: Several novel substituted tetrahydro- and hexahydro-1,2-benzisothiazol-3-one 1,1-dioxides and thiadiazinones were prepared and examined in a series of in vitro and in vivo tests to determine their pharmacological profile. Most compounds were orally active in blocking the conditioned avoidance response (CAR) ... aid4084.table aid4084.tbin
4085 1 Title: Synthesis and structure-activity relationship of substituted tetrahydro- and hexahydro-1,2-benzisothiazol-3-one 1,1-dioxides and thiadiazinones: potential anxiolytic agents. Abstract: Several novel substituted tetrahydro- and hexahydro-1,2-benzisothiazol-3-one 1,1-dioxides and thiadiazinones were prepared and examined in a series of in vitro and in vivo tests to determine their pharmacological profile. Most compounds were orally active in blocking the conditioned avoidance response (CAR) ... aid4085.table aid4085.tbin
4086 1 Title: Synthesis and structure-activity relationship of substituted tetrahydro- and hexahydro-1,2-benzisothiazol-3-one 1,1-dioxides and thiadiazinones: potential anxiolytic agents. Abstract: Several novel substituted tetrahydro- and hexahydro-1,2-benzisothiazol-3-one 1,1-dioxides and thiadiazinones were prepared and examined in a series of in vitro and in vivo tests to determine their pharmacological profile. Most compounds were orally active in blocking the conditioned avoidance response (CAR) ... aid4086.table aid4086.tbin
4087 1 Title: Synthesis and structure-activity relationship of substituted tetrahydro- and hexahydro-1,2-benzisothiazol-3-one 1,1-dioxides and thiadiazinones: potential anxiolytic agents. Abstract: Several novel substituted tetrahydro- and hexahydro-1,2-benzisothiazol-3-one 1,1-dioxides and thiadiazinones were prepared and examined in a series of in vitro and in vivo tests to determine their pharmacological profile. Most compounds were orally active in blocking the conditioned avoidance response (CAR) ... aid4087.table aid4087.tbin
4088 23 Title: Synthesis and structure-activity relationship of substituted tetrahydro- and hexahydro-1,2-benzisothiazol-3-one 1,1-dioxides and thiadiazinones: potential anxiolytic agents. Abstract: Several novel substituted tetrahydro- and hexahydro-1,2-benzisothiazol-3-one 1,1-dioxides and thiadiazinones were prepared and examined in a series of in vitro and in vivo tests to determine their pharmacological profile. Most compounds were orally active in blocking the conditioned avoidance response (CAR) ... aid4088.table aid4088.tbin
4089 4 Title: Synthesis and structure-activity relationship of substituted tetrahydro- and hexahydro-1,2-benzisothiazol-3-one 1,1-dioxides and thiadiazinones: potential anxiolytic agents. Abstract: Several novel substituted tetrahydro- and hexahydro-1,2-benzisothiazol-3-one 1,1-dioxides and thiadiazinones were prepared and examined in a series of in vitro and in vivo tests to determine their pharmacological profile. Most compounds were orally active in blocking the conditioned avoidance response (CAR) ... aid4089.table aid4089.tbin
4090 1 Title: Synthesis and structure-activity relationship of substituted tetrahydro- and hexahydro-1,2-benzisothiazol-3-one 1,1-dioxides and thiadiazinones: potential anxiolytic agents. Abstract: Several novel substituted tetrahydro- and hexahydro-1,2-benzisothiazol-3-one 1,1-dioxides and thiadiazinones were prepared and examined in a series of in vitro and in vivo tests to determine their pharmacological profile. Most compounds were orally active in blocking the conditioned avoidance response (CAR) ... aid4090.table aid4090.tbin
4091 29 Title: N4-unsubstituted N1-arylpiperazines as high-affinity 5-HT1A receptor ligands. Abstract: In order to explore the structural requirements for high 5-HT1A affinity, a series of aryl-substituted N1-phenylpiperazines were synthesized and evaluated for their ability to displace [3H]-8-OH-DPAT from its specific binding sites in rat frontal cortex homogenates. We found 2-methoxy substitution to be favorable, while 4-methoxy substitution was detrimental for 5-HT1A affinity. Substitution with annel... aid4091.table aid4091.tbin
4092 35 Title: Structure-affinity relationship studies on 5-HT1A receptor ligands. 1. Heterobicyclic phenylpiperazines with N4-alkyl substituents. Abstract: Structure-affinity relationship (SAR) studies for 5-HT1A receptor site are presented for two series of heterobicyclic phenylpiperazines with N4-alkyl substituents: 4-alkyl derivatives of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine (3) and 1-(benzo[b]furan-7-yl)piperazine (4). The linear and branched hydrocarbon chain derivatives up to n-decyl wer... aid4092.table aid4092.tbin
4093 2 Title: Structure-affinity relationship studies on 5-HT1A receptor ligands. 1. Heterobicyclic phenylpiperazines with N4-alkyl substituents. Abstract: Structure-affinity relationship (SAR) studies for 5-HT1A receptor site are presented for two series of heterobicyclic phenylpiperazines with N4-alkyl substituents: 4-alkyl derivatives of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine (3) and 1-(benzo[b]furan-7-yl)piperazine (4). The linear and branched hydrocarbon chain derivatives up to n-decyl wer... aid4093.table aid4093.tbin
4094 2 Title: Structure-affinity relationship studies on 5-HT1A receptor ligands. 1. Heterobicyclic phenylpiperazines with N4-alkyl substituents. Abstract: Structure-affinity relationship (SAR) studies for 5-HT1A receptor site are presented for two series of heterobicyclic phenylpiperazines with N4-alkyl substituents: 4-alkyl derivatives of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine (3) and 1-(benzo[b]furan-7-yl)piperazine (4). The linear and branched hydrocarbon chain derivatives up to n-decyl wer... aid4094.table aid4094.tbin
4095 22 Title: Arylpiperazine derivatives as high-affinity 5-HT1A serotonin ligands. Abstract: Although simple arylpiperazines are commonly considered to be moderately selective for 5-HT1B serotonin binding sites, N4-substitution of such compounds can enhance their affinity for 5-HT1A sites and/or decrease their affinity for 5-HT1B sites. A small series of 4-substituted 1-arylpiperazines was prepared in an attempt to develop agents with high affinity for 5-HT1A sites. Derivatives where the aryl portion ... aid4095.table aid4095.tbin
4096 23 Title: Central serotonin receptors as targets for drug research. aid4096.table aid4096.tbin
4097 1 Title: Central serotonin receptors as targets for drug research. aid4097.table aid4097.tbin
4098 1 Title: Central serotonin receptors as targets for drug research. aid4098.table aid4098.tbin
4099 31 Title: C-9 and N-substituted analogs of cis-(3aR)-(-)-2,3,3a,4,5,9b-hexahydro-3- propyl-1H-benz[e]indole-9-carboxamide: 5-HT1A receptor agonists with various degrees of metabolic stability. Abstract: Closely related analogs of the 5-HT1A receptor agonist cis-(3aR)-(-)-2,3,3a,4,5,9b-hexahydro-3-propyl-1H-benz[e]indole-9- carboxamide (1, U93385) were synthesized and pharmacologically evaluated. 9-Carboxamide analogs with varied nitrogen substitution (R2) were synthesized, and their serotonergic ac... aid4099.table aid4099.tbin
4100 16 Title: Novel derivatives of 3-(dipropylamino)chroman. Interactions with 5-HT1A and D2A receptors. Abstract: Novel 8-aryl and 8-aroyl substituted derivatives of 3-(dipropylamino)chroman are described. The compounds have been prepared by a palladium catalyzed reaction of iodoarenes and a stannylated derivative of [eta6-3-(dipropylamino)chroman]Cr(CO)3. Several of the compounds have high affinity for 5-HT1A receptors whereas the affinity for D2A receptors is lower, the 8-arylated derivatives being ... aid4100.table aid4100.tbin
4101 12 Title: Synthesis and structure-activity relationships of a new model of arylpiperazines. 2. Three-dimensional quantitative structure-activity relationships of hydantoin-phenylpiperazine derivatives with affinity for 5-HT1A and alpha 1 receptors. A comparison of CoMFA models. Abstract: A series of 48 bicyclohydantoin-phenylpiperazines (1-4) with affinity for 5-HT1A and alpha 1 receptors was subjected to three-dimensional quantitative structure-affinity relationship analysis using comparative mole... aid4101.table aid4101.tbin
4102 1 Title: (S)- and (R)-8-(di-n-propylamino)-6,7,8,9-tetrahydro-3H-benz[e]indole-1- carbaldehyde: a new class of orally active 5-HT1A-receptor agonists. Abstract: The enantiomers of 6,7,8,9-tetrahydro-N,N-di-n-propyl-3H-benz[e]indol-8- amine (S-(-)-2b and R-(+)-2b) and their corresponding 1-formyl analogs (S-(-)-6 and R-(+)-6) were prepared and evaluated pharmacologically for serotonergic and dopaminergic activity. The introduction of a formyl group in the 1-position shifted the pharmacological prof... aid4102.table aid4102.tbin
4103 2 Title: (S)- and (R)-8-(di-n-propylamino)-6,7,8,9-tetrahydro-3H-benz[e]indole-1- carbaldehyde: a new class of orally active 5-HT1A-receptor agonists. Abstract: The enantiomers of 6,7,8,9-tetrahydro-N,N-di-n-propyl-3H-benz[e]indol-8- amine (S-(-)-2b and R-(+)-2b) and their corresponding 1-formyl analogs (S-(-)-6 and R-(+)-6) were prepared and evaluated pharmacologically for serotonergic and dopaminergic activity. The introduction of a formyl group in the 1-position shifted the pharmacological prof... aid4103.table aid4103.tbin
4104 11 Title: (S)- and (R)-8-(di-n-propylamino)-6,7,8,9-tetrahydro-3H-benz[e]indole-1- carbaldehyde: a new class of orally active 5-HT1A-receptor agonists. Abstract: The enantiomers of 6,7,8,9-tetrahydro-N,N-di-n-propyl-3H-benz[e]indol-8- amine (S-(-)-2b and R-(+)-2b) and their corresponding 1-formyl analogs (S-(-)-6 and R-(+)-6) were prepared and evaluated pharmacologically for serotonergic and dopaminergic activity. The introduction of a formyl group in the 1-position shifted the pharmacological prof... aid4104.table aid4104.tbin
4105 24 Title: Synthesis of novel 5-substituted 3-amino-3,4-dihydro-2H-1-benzopyran derivatives and their interactions with the 5-HT1A receptor. Abstract: A series of new enantiomerically pure 3-amino-3,4-dihydro-2H-1-benzopyrans (3-aminochromans) has been synthesized from (R)- and (S)-5-methoxy-3-amino-3,4-dihydro-2H-1-benzopyran. The absolute configuration of the respective (R)- and (S)-enantiomers was deduced from X-ray crystallography of (R)-3-(N-isopropylamino)-5-methoxy-3,4-dihydro-2H-1-benzopyran... aid4105.table aid4105.tbin
4106 1 Title: Synthesis of novel 5-substituted 3-amino-3,4-dihydro-2H-1-benzopyran derivatives and their interactions with the 5-HT1A receptor. Abstract: A series of new enantiomerically pure 3-amino-3,4-dihydro-2H-1-benzopyrans (3-aminochromans) has been synthesized from (R)- and (S)-5-methoxy-3-amino-3,4-dihydro-2H-1-benzopyran. The absolute configuration of the respective (R)- and (S)-enantiomers was deduced from X-ray crystallography of (R)-3-(N-isopropylamino)-5-methoxy-3,4-dihydro-2H-1-benzopyran... aid4106.table aid4106.tbin
4107 3 Title: Synthesis of novel 5-substituted 3-amino-3,4-dihydro-2H-1-benzopyran derivatives and their interactions with the 5-HT1A receptor. Abstract: A series of new enantiomerically pure 3-amino-3,4-dihydro-2H-1-benzopyrans (3-aminochromans) has been synthesized from (R)- and (S)-5-methoxy-3-amino-3,4-dihydro-2H-1-benzopyran. The absolute configuration of the respective (R)- and (S)-enantiomers was deduced from X-ray crystallography of (R)-3-(N-isopropylamino)-5-methoxy-3,4-dihydro-2H-1-benzopyran... aid4107.table aid4107.tbin
4108 12 Title: Atropisomeric derivatives of 2',6'-disubstituted (R)-11-phenylaporphine: selective serotonin 5-HT(7) receptor antagonists. aid4108.table aid4108.tbin
4109 15 Title: Isoindol-1-one analogues of 4-(2'-methoxyphenyl)-1-[2'-[N-(2&quot;-pyridyl)-p-iodobenzamido]ethyl]pipera zine (p-MPPI) as 5-HT1A receptor ligands. Abstract: In developing radioiodinated antagonists for in vivo imaging of 5-HT1A receptors with SPECT, a series of new arylpiperazine benzamido derivatives, including 4-(2'-methoxyphenyl)-1-[2'-[N-(2&quot;-pyridyl)-p-iodobenzamido]ethyl]p iperazine (p-MPPI, 31) (Kd = 0.36 nM), as potential ligands for 5-HT1A receptors were reported previously. ... aid4109.table aid4109.tbin
4110 12 Title: Influence of the terminal amide fragment geometry in some 3-arylideneindolin-2(1H)-ones on their 5-HT1A/5-HT2A receptor activity. Abstract: Several 1,4-disubstituted arylpiperazine derivatives of 3-arylideneindolin-2(1H)-one (Z and E isomers) were tested for their 5-HT1A and 5-HT2A receptor activity in vitro and in vivo. It was shown that introduction of 3-arylidene substituents to indolin-2(1H)-one moiety allowed to change the mixed 5-HT1A/5-HT2A receptor ligands to 5-HT2A ones with anta... aid4110.table aid4110.tbin
4111 3 Title: trans-2-Aryl-N,N-dipropylcyclopropylamines: synthesis and interactions with 5-HT(1A) receptors. Abstract: Twelve N,N-dipropyl-substituted derivatives of trans-2-arylcyclopropylamine have been prepared and assayed for their ability to displace [(3)H]-8-OH-DPAT from rat brain 5-HT(1A) receptors. The new derivatives include phenyl (7a), bromo- (7b) and fluorophenyl (7c-e), 2-methoxy-5-fluorophenyl (7h), and 2-hydroxy-5-fluorophenyl (7l) as well as trifluoromethylphenyl (7f) and 2,3-dichlorop... aid4111.table aid4111.tbin
4112 1 Title: trans-2-Aryl-N,N-dipropylcyclopropylamines: synthesis and interactions with 5-HT(1A) receptors. Abstract: Twelve N,N-dipropyl-substituted derivatives of trans-2-arylcyclopropylamine have been prepared and assayed for their ability to displace [(3)H]-8-OH-DPAT from rat brain 5-HT(1A) receptors. The new derivatives include phenyl (7a), bromo- (7b) and fluorophenyl (7c-e), 2-methoxy-5-fluorophenyl (7h), and 2-hydroxy-5-fluorophenyl (7l) as well as trifluoromethylphenyl (7f) and 2,3-dichlorop... aid4112.table aid4112.tbin
4113 2 Title: trans-2-Aryl-N,N-dipropylcyclopropylamines: synthesis and interactions with 5-HT(1A) receptors. Abstract: Twelve N,N-dipropyl-substituted derivatives of trans-2-arylcyclopropylamine have been prepared and assayed for their ability to displace [(3)H]-8-OH-DPAT from rat brain 5-HT(1A) receptors. The new derivatives include phenyl (7a), bromo- (7b) and fluorophenyl (7c-e), 2-methoxy-5-fluorophenyl (7h), and 2-hydroxy-5-fluorophenyl (7l) as well as trifluoromethylphenyl (7f) and 2,3-dichlorop... aid4113.table aid4113.tbin
4114 1 Title: trans-2-Aryl-N,N-dipropylcyclopropylamines: synthesis and interactions with 5-HT(1A) receptors. Abstract: Twelve N,N-dipropyl-substituted derivatives of trans-2-arylcyclopropylamine have been prepared and assayed for their ability to displace [(3)H]-8-OH-DPAT from rat brain 5-HT(1A) receptors. The new derivatives include phenyl (7a), bromo- (7b) and fluorophenyl (7c-e), 2-methoxy-5-fluorophenyl (7h), and 2-hydroxy-5-fluorophenyl (7l) as well as trifluoromethylphenyl (7f) and 2,3-dichlorop... aid4114.table aid4114.tbin
4115 1 Title: trans-2-Aryl-N,N-dipropylcyclopropylamines: synthesis and interactions with 5-HT(1A) receptors. Abstract: Twelve N,N-dipropyl-substituted derivatives of trans-2-arylcyclopropylamine have been prepared and assayed for their ability to displace [(3)H]-8-OH-DPAT from rat brain 5-HT(1A) receptors. The new derivatives include phenyl (7a), bromo- (7b) and fluorophenyl (7c-e), 2-methoxy-5-fluorophenyl (7h), and 2-hydroxy-5-fluorophenyl (7l) as well as trifluoromethylphenyl (7f) and 2,3-dichlorop... aid4115.table aid4115.tbin
4116 1 Title: trans-2-Aryl-N,N-dipropylcyclopropylamines: synthesis and interactions with 5-HT(1A) receptors. Abstract: Twelve N,N-dipropyl-substituted derivatives of trans-2-arylcyclopropylamine have been prepared and assayed for their ability to displace [(3)H]-8-OH-DPAT from rat brain 5-HT(1A) receptors. The new derivatives include phenyl (7a), bromo- (7b) and fluorophenyl (7c-e), 2-methoxy-5-fluorophenyl (7h), and 2-hydroxy-5-fluorophenyl (7l) as well as trifluoromethylphenyl (7f) and 2,3-dichlorop... aid4116.table aid4116.tbin
4117 1 Title: trans-2-Aryl-N,N-dipropylcyclopropylamines: synthesis and interactions with 5-HT(1A) receptors. Abstract: Twelve N,N-dipropyl-substituted derivatives of trans-2-arylcyclopropylamine have been prepared and assayed for their ability to displace [(3)H]-8-OH-DPAT from rat brain 5-HT(1A) receptors. The new derivatives include phenyl (7a), bromo- (7b) and fluorophenyl (7c-e), 2-methoxy-5-fluorophenyl (7h), and 2-hydroxy-5-fluorophenyl (7l) as well as trifluoromethylphenyl (7f) and 2,3-dichlorop... aid4117.table aid4117.tbin
4118 1 Title: trans-2-Aryl-N,N-dipropylcyclopropylamines: synthesis and interactions with 5-HT(1A) receptors. Abstract: Twelve N,N-dipropyl-substituted derivatives of trans-2-arylcyclopropylamine have been prepared and assayed for their ability to displace [(3)H]-8-OH-DPAT from rat brain 5-HT(1A) receptors. The new derivatives include phenyl (7a), bromo- (7b) and fluorophenyl (7c-e), 2-methoxy-5-fluorophenyl (7h), and 2-hydroxy-5-fluorophenyl (7l) as well as trifluoromethylphenyl (7f) and 2,3-dichlorop... aid4118.table aid4118.tbin
4119 1 Title: trans-2-Aryl-N,N-dipropylcyclopropylamines: synthesis and interactions with 5-HT(1A) receptors. Abstract: Twelve N,N-dipropyl-substituted derivatives of trans-2-arylcyclopropylamine have been prepared and assayed for their ability to displace [(3)H]-8-OH-DPAT from rat brain 5-HT(1A) receptors. The new derivatives include phenyl (7a), bromo- (7b) and fluorophenyl (7c-e), 2-methoxy-5-fluorophenyl (7h), and 2-hydroxy-5-fluorophenyl (7l) as well as trifluoromethylphenyl (7f) and 2,3-dichlorop... aid4119.table aid4119.tbin
4120 1 Title: trans-2-Aryl-N,N-dipropylcyclopropylamines: synthesis and interactions with 5-HT(1A) receptors. Abstract: Twelve N,N-dipropyl-substituted derivatives of trans-2-arylcyclopropylamine have been prepared and assayed for their ability to displace [(3)H]-8-OH-DPAT from rat brain 5-HT(1A) receptors. The new derivatives include phenyl (7a), bromo- (7b) and fluorophenyl (7c-e), 2-methoxy-5-fluorophenyl (7h), and 2-hydroxy-5-fluorophenyl (7l) as well as trifluoromethylphenyl (7f) and 2,3-dichlorop... aid4120.table aid4120.tbin
4121 1 Title: trans-2-Aryl-N,N-dipropylcyclopropylamines: synthesis and interactions with 5-HT(1A) receptors. Abstract: Twelve N,N-dipropyl-substituted derivatives of trans-2-arylcyclopropylamine have been prepared and assayed for their ability to displace [(3)H]-8-OH-DPAT from rat brain 5-HT(1A) receptors. The new derivatives include phenyl (7a), bromo- (7b) and fluorophenyl (7c-e), 2-methoxy-5-fluorophenyl (7h), and 2-hydroxy-5-fluorophenyl (7l) as well as trifluoromethylphenyl (7f) and 2,3-dichlorop... aid4121.table aid4121.tbin
4122 1 Title: trans-2-Aryl-N,N-dipropylcyclopropylamines: synthesis and interactions with 5-HT(1A) receptors. Abstract: Twelve N,N-dipropyl-substituted derivatives of trans-2-arylcyclopropylamine have been prepared and assayed for their ability to displace [(3)H]-8-OH-DPAT from rat brain 5-HT(1A) receptors. The new derivatives include phenyl (7a), bromo- (7b) and fluorophenyl (7c-e), 2-methoxy-5-fluorophenyl (7h), and 2-hydroxy-5-fluorophenyl (7l) as well as trifluoromethylphenyl (7f) and 2,3-dichlorop... aid4122.table aid4122.tbin
4123 1 Title: trans-2-Aryl-N,N-dipropylcyclopropylamines: synthesis and interactions with 5-HT(1A) receptors. Abstract: Twelve N,N-dipropyl-substituted derivatives of trans-2-arylcyclopropylamine have been prepared and assayed for their ability to displace [(3)H]-8-OH-DPAT from rat brain 5-HT(1A) receptors. The new derivatives include phenyl (7a), bromo- (7b) and fluorophenyl (7c-e), 2-methoxy-5-fluorophenyl (7h), and 2-hydroxy-5-fluorophenyl (7l) as well as trifluoromethylphenyl (7f) and 2,3-dichlorop... aid4123.table aid4123.tbin
4124 1 Title: trans-2-Aryl-N,N-dipropylcyclopropylamines: synthesis and interactions with 5-HT(1A) receptors. Abstract: Twelve N,N-dipropyl-substituted derivatives of trans-2-arylcyclopropylamine have been prepared and assayed for their ability to displace [(3)H]-8-OH-DPAT from rat brain 5-HT(1A) receptors. The new derivatives include phenyl (7a), bromo- (7b) and fluorophenyl (7c-e), 2-methoxy-5-fluorophenyl (7h), and 2-hydroxy-5-fluorophenyl (7l) as well as trifluoromethylphenyl (7f) and 2,3-dichlorop... aid4124.table aid4124.tbin
4125 1 Title: trans-2-Aryl-N,N-dipropylcyclopropylamines: synthesis and interactions with 5-HT(1A) receptors. Abstract: Twelve N,N-dipropyl-substituted derivatives of trans-2-arylcyclopropylamine have been prepared and assayed for their ability to displace [(3)H]-8-OH-DPAT from rat brain 5-HT(1A) receptors. The new derivatives include phenyl (7a), bromo- (7b) and fluorophenyl (7c-e), 2-methoxy-5-fluorophenyl (7h), and 2-hydroxy-5-fluorophenyl (7l) as well as trifluoromethylphenyl (7f) and 2,3-dichlorop... aid4125.table aid4125.tbin
4126 4 Title: Central dopaminergic and 5-hydroxytryptaminergic effects of C3-methylated derivatives of 8-hydroxy-2-(di-n-propylamino)tetralin. Abstract: A number of stereochemically well defined C3-methylated derivatives of the potent 5-hydroxytryptamine (5-HT) receptor agonist 8-hydroxy-2-(di-n-propylamino)tetralin (8-OH-DPAT) have been synthesized, and their stereochemical characteristics have been studies by use of NMR spectroscopy, X-ray crystallography, and molecular mechanics calculations. The co... aid4126.table aid4126.tbin
4127 1 Title: (R)-1,2,3,4-tetrahydro[1]benzothieno[2,3-c]pyridines: novel optically active compounds with strong 5-HT1A receptor binding ability exhibiting anticonflict activity and lessening of memory impairment. Abstract: (R)-1,2,3,4-Tetrahydro[1]benzothieno[2,3-c]pyridine derivatives (60-114) were synthesized. The (R)-isomers have affinity for the 5-HT1A receptor while the (S)-isomers have no such ability. The affinity of the (R)-isomers was discussed on the basis of structure-activity relationships... aid4127.table aid4127.tbin
4128 3 Title: N-[[1-(2-phenylethyl)pyrrolidin-2-yl]methyl]cyclohexanecarboxamides as selective 5-HT1A receptor agonists. Abstract: A series of benzamides was synthesized as selective agonists for the 5-HT1A receptor. It was found that (S)-N-[[1-(2-phenylethyl)pyrrolidin-2-yl]methyl]cyclohexanecarb oxamide(7-(S)) has potent and selective agonistic activity for the 5-HT1A receptor (5-HT1A; Ki 0.49 nmol/L, D2; IC50 = &gt;1000 nmol/L, 5-HT2; Ki = 240 nmol/L). aid4128.table aid4128.tbin
4129 4 Title: Design, synthesis, structure-activity relationships, and biological characterization of novel arylalkoxyphenylalkylamine sigma ligands as potential antipsychotic drugs. Abstract: sigma Receptor antagonists may be effective antipsychotic drugs that do not induce motor side effects caused by ingestion of classical drugs such as haloperidol. We obtained evidence that 1-(2-dipropylaminoethyl)-4-methoxy-6H-dibenzo[b,d]pyran hydrochloride 2a had selective affinity for sigma receptor over dopami... aid4129.table aid4129.tbin
4130 3 Title: Synthesis and biological characterization of alpha-(4-fluorophenyl)-4-(5-fluoro-2-pyrimidinyl)-1-piperazinebutanol and analogues as potential atypical antipsychotic agents. Abstract: A series of 1-(pyrimidin-2-yl)piperazine derivatives were prepared and evaluated in receptor binding assays and in in vivo behavioral paradigms as potential atypical antipsychotic agents. Compound 16 (BMS 181100 (formerly BMY 14802)) emerged as the lead compound from within the series on the basis of its good... aid4130.table aid4130.tbin
4131 28 Title: Development of a presynaptic 5-HT1A antagonist. Abstract: A new 5-HT(1A) silent antagonist 14 (5-HT(1A) IC(50)=2.2 nM) antagonizes the effects of agonists on reciprocal forepaw treading behavior, on neuronal firing in the rat dorsal raphe, and on 5-HT(1A) release in the raphe and hippocampus. While 14 alone was inactive in the social interaction paradigm, it completely reversed the social interaction activity of the serotonergic compounds (buspirone, 1, and 2). aid4131.table aid4131.tbin
4132 5 Inhibitory concentration against [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor expressed in CHO-K1 cells aid4132.table aid4132.tbin
4133 3 Tested in vitro for receptor binding affinity to 5-hydroxytryptamine 1A receptor in rat cortex using [3H]OH-DPAT radioligand aid4133.table aid4133.tbin
4134 1 Tested in vitro for receptor binding affinity to 5-hydroxytryptamine 1A receptor in rat cortex using [3H]OH-DPAT radioligand; NT means not tested aid4134.table aid4134.tbin
4135 4 Title: N-[1-(2-Phenylethyl)pyrrolidin-3-yl]-1-adamantanecarboxamides as novel 5-HT2 receptor antagonists. Abstract: A series of 1-adamantanecarboxamides was synthesized and examined for their potency as a selective 5-HT2 receptor antagonist. We found (S)-N-[1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-1-adamantane carboxamide hydrochloride hydrate (10-(S), Y-39241) to have a high affinity and selectivity for 5-HT2 receptors, and this potent anti-platelet effect of Y-39241 was confirmed both in vi... aid4135.table aid4135.tbin
4136 15 Title: Sigma ligands with subnanomolar affinity and preference for the sigma 2 binding site. 1. 3-(omega-aminoalkyl)-1H-indoles. Abstract: A series of 4-(1H-indol-3-yl)-1-butyl-substituted 4-phenylpiperidines, 4-phenyl-1,2,3,6-tetrahydropyridines, and 4-phenylpiperazines was synthesized. The phenyl group was optionally substituted with 4-fluoro or 2-methoxy substituents. High affinity for both sigma 1 and sigma 2 binding sites was achieved with these compounds. Additionally, these compounds had ... aid4136.table aid4136.tbin
4137 26 Binding affinity towards 5-hydroxytryptamine 1A receptor using receptor binding assay aid4137.table aid4137.tbin
4138 1 Title: 6-Hydroxy-3-n-propyl-2,3,4,5-tetrahydro-1H-3-benzazepine and analogs: new centrally acting 5-HT1A receptor agonists. Abstract: The ring-closed phenylethylamine analogue 6-hydroxy-3-n-propyl-2,3,4,5-tetrahydro-1H-3-benzazepine (1) is a 5-HT1A receptor agonist of moderate potency, according to both in vivo biochemical data and in vitro binding data. The active compounds of this series also induce the 5-HT behavioral syndrome. Molecular modeling studies were performed with molecular mechanic... aid4138.table aid4138.tbin
4139 10 Title: 6-Hydroxy-3-n-propyl-2,3,4,5-tetrahydro-1H-3-benzazepine and analogs: new centrally acting 5-HT1A receptor agonists. Abstract: The ring-closed phenylethylamine analogue 6-hydroxy-3-n-propyl-2,3,4,5-tetrahydro-1H-3-benzazepine (1) is a 5-HT1A receptor agonist of moderate potency, according to both in vivo biochemical data and in vitro binding data. The active compounds of this series also induce the 5-HT behavioral syndrome. Molecular modeling studies were performed with molecular mechanic... aid4139.table aid4139.tbin
4140 2 Title: Improvement in the selectivity and metabolic stability of the serotonin 5-HT(1A) ligand, S 15535: a series of cis- and trans-2-(arylcycloalkylamine) 1-indanols. Abstract: S 15535 (1) displays a distinctive profile of agonist and antagonist (weak partial agonist) activity at pre- and postsynaptic 5-HT(1A) receptors, respectively. It has proven to be active in several models predictive of anxiolytic, antidepressant, and procognitive properties. In an attempt to increase its selectivity and ... aid4140.table aid4140.tbin
4141 1 Title: Improvement in the selectivity and metabolic stability of the serotonin 5-HT(1A) ligand, S 15535: a series of cis- and trans-2-(arylcycloalkylamine) 1-indanols. Abstract: S 15535 (1) displays a distinctive profile of agonist and antagonist (weak partial agonist) activity at pre- and postsynaptic 5-HT(1A) receptors, respectively. It has proven to be active in several models predictive of anxiolytic, antidepressant, and procognitive properties. In an attempt to increase its selectivity and ... aid4141.table aid4141.tbin
4142 1 Title: Improvement in the selectivity and metabolic stability of the serotonin 5-HT(1A) ligand, S 15535: a series of cis- and trans-2-(arylcycloalkylamine) 1-indanols. Abstract: S 15535 (1) displays a distinctive profile of agonist and antagonist (weak partial agonist) activity at pre- and postsynaptic 5-HT(1A) receptors, respectively. It has proven to be active in several models predictive of anxiolytic, antidepressant, and procognitive properties. In an attempt to increase its selectivity and ... aid4142.table aid4142.tbin
4143 1 Title: Improvement in the selectivity and metabolic stability of the serotonin 5-HT(1A) ligand, S 15535: a series of cis- and trans-2-(arylcycloalkylamine) 1-indanols. Abstract: S 15535 (1) displays a distinctive profile of agonist and antagonist (weak partial agonist) activity at pre- and postsynaptic 5-HT(1A) receptors, respectively. It has proven to be active in several models predictive of anxiolytic, antidepressant, and procognitive properties. In an attempt to increase its selectivity and ... aid4143.table aid4143.tbin
4144 1 Title: Improvement in the selectivity and metabolic stability of the serotonin 5-HT(1A) ligand, S 15535: a series of cis- and trans-2-(arylcycloalkylamine) 1-indanols. Abstract: S 15535 (1) displays a distinctive profile of agonist and antagonist (weak partial agonist) activity at pre- and postsynaptic 5-HT(1A) receptors, respectively. It has proven to be active in several models predictive of anxiolytic, antidepressant, and procognitive properties. In an attempt to increase its selectivity and ... aid4144.table aid4144.tbin
4145 1 Title: Improvement in the selectivity and metabolic stability of the serotonin 5-HT(1A) ligand, S 15535: a series of cis- and trans-2-(arylcycloalkylamine) 1-indanols. Abstract: S 15535 (1) displays a distinctive profile of agonist and antagonist (weak partial agonist) activity at pre- and postsynaptic 5-HT(1A) receptors, respectively. It has proven to be active in several models predictive of anxiolytic, antidepressant, and procognitive properties. In an attempt to increase its selectivity and ... aid4145.table aid4145.tbin
4146 1 Title: Improvement in the selectivity and metabolic stability of the serotonin 5-HT(1A) ligand, S 15535: a series of cis- and trans-2-(arylcycloalkylamine) 1-indanols. Abstract: S 15535 (1) displays a distinctive profile of agonist and antagonist (weak partial agonist) activity at pre- and postsynaptic 5-HT(1A) receptors, respectively. It has proven to be active in several models predictive of anxiolytic, antidepressant, and procognitive properties. In an attempt to increase its selectivity and ... aid4146.table aid4146.tbin
4147 1 Title: Improvement in the selectivity and metabolic stability of the serotonin 5-HT(1A) ligand, S 15535: a series of cis- and trans-2-(arylcycloalkylamine) 1-indanols. Abstract: S 15535 (1) displays a distinctive profile of agonist and antagonist (weak partial agonist) activity at pre- and postsynaptic 5-HT(1A) receptors, respectively. It has proven to be active in several models predictive of anxiolytic, antidepressant, and procognitive properties. In an attempt to increase its selectivity and ... aid4147.table aid4147.tbin
4148 1 Title: Improvement in the selectivity and metabolic stability of the serotonin 5-HT(1A) ligand, S 15535: a series of cis- and trans-2-(arylcycloalkylamine) 1-indanols. Abstract: S 15535 (1) displays a distinctive profile of agonist and antagonist (weak partial agonist) activity at pre- and postsynaptic 5-HT(1A) receptors, respectively. It has proven to be active in several models predictive of anxiolytic, antidepressant, and procognitive properties. In an attempt to increase its selectivity and ... aid4148.table aid4148.tbin
4149 1 Title: Improvement in the selectivity and metabolic stability of the serotonin 5-HT(1A) ligand, S 15535: a series of cis- and trans-2-(arylcycloalkylamine) 1-indanols. Abstract: S 15535 (1) displays a distinctive profile of agonist and antagonist (weak partial agonist) activity at pre- and postsynaptic 5-HT(1A) receptors, respectively. It has proven to be active in several models predictive of anxiolytic, antidepressant, and procognitive properties. In an attempt to increase its selectivity and ... aid4149.table aid4149.tbin
4150 1 Title: Improvement in the selectivity and metabolic stability of the serotonin 5-HT(1A) ligand, S 15535: a series of cis- and trans-2-(arylcycloalkylamine) 1-indanols. Abstract: S 15535 (1) displays a distinctive profile of agonist and antagonist (weak partial agonist) activity at pre- and postsynaptic 5-HT(1A) receptors, respectively. It has proven to be active in several models predictive of anxiolytic, antidepressant, and procognitive properties. In an attempt to increase its selectivity and ... aid4150.table aid4150.tbin
4151 1 Title: Improvement in the selectivity and metabolic stability of the serotonin 5-HT(1A) ligand, S 15535: a series of cis- and trans-2-(arylcycloalkylamine) 1-indanols. Abstract: S 15535 (1) displays a distinctive profile of agonist and antagonist (weak partial agonist) activity at pre- and postsynaptic 5-HT(1A) receptors, respectively. It has proven to be active in several models predictive of anxiolytic, antidepressant, and procognitive properties. In an attempt to increase its selectivity and ... aid4151.table aid4151.tbin
4152 1 Title: Improvement in the selectivity and metabolic stability of the serotonin 5-HT(1A) ligand, S 15535: a series of cis- and trans-2-(arylcycloalkylamine) 1-indanols. Abstract: S 15535 (1) displays a distinctive profile of agonist and antagonist (weak partial agonist) activity at pre- and postsynaptic 5-HT(1A) receptors, respectively. It has proven to be active in several models predictive of anxiolytic, antidepressant, and procognitive properties. In an attempt to increase its selectivity and ... aid4152.table aid4152.tbin
4153 1 Title: Improvement in the selectivity and metabolic stability of the serotonin 5-HT(1A) ligand, S 15535: a series of cis- and trans-2-(arylcycloalkylamine) 1-indanols. Abstract: S 15535 (1) displays a distinctive profile of agonist and antagonist (weak partial agonist) activity at pre- and postsynaptic 5-HT(1A) receptors, respectively. It has proven to be active in several models predictive of anxiolytic, antidepressant, and procognitive properties. In an attempt to increase its selectivity and ... aid4153.table aid4153.tbin
4154 1 Title: Improvement in the selectivity and metabolic stability of the serotonin 5-HT(1A) ligand, S 15535: a series of cis- and trans-2-(arylcycloalkylamine) 1-indanols. Abstract: S 15535 (1) displays a distinctive profile of agonist and antagonist (weak partial agonist) activity at pre- and postsynaptic 5-HT(1A) receptors, respectively. It has proven to be active in several models predictive of anxiolytic, antidepressant, and procognitive properties. In an attempt to increase its selectivity and ... aid4154.table aid4154.tbin
4155 10 Title: Synthesis and molecular modeling of new 1-aryl-3-[4-arylpiperazin-1-yl]-1-propane derivatives with high affinity at the serotonin transporter and at 5-HT(1A) receptors. Abstract: It has been proposed that 5-HT(1A) receptor antagonists augment the antidepressant efficacy of selective serotonin (5-HT) reuptake inhibitors. In a search toward new and efficient antidepressants, 1-(aryl)-3-[4-arylpiperazin-1-yl]-1-propane molecular hybrids were designed, synthesized, and evaluated for 5-HT reup... aid4155.table aid4155.tbin
4156 1 Title: Structure-affinity relationship study on N-[4-(4-arylpiperazin-1-yl)butyl]arylcarboxamides as potent and selective dopamine D(3) receptor ligands. Abstract: The benzamide PB12 (N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-3-methoxybenzamide) (1), already reported as potent and selective dopamine D(4) receptor ligand, has been modified searching for structural features that could lead to D(3) receptor affinity. Changes in the aromatic ring linked to N-1 piperazine ring led to the identifi... aid4156.table aid4156.tbin
4157 4 Title: Structure-affinity relationship study on N-[4-(4-arylpiperazin-1-yl)butyl]arylcarboxamides as potent and selective dopamine D(3) receptor ligands. Abstract: The benzamide PB12 (N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-3-methoxybenzamide) (1), already reported as potent and selective dopamine D(4) receptor ligand, has been modified searching for structural features that could lead to D(3) receptor affinity. Changes in the aromatic ring linked to N-1 piperazine ring led to the identifi... aid4157.table aid4157.tbin
4158 1 Title: A structure-affinity relationship study on derivatives of N-[2-[4-(4-Chlorophenyl)piperazin-1-yl]ethyl]-3-methoxybenzamide, a high-affinity and selective D(4) receptor ligand. Abstract: N-[2-[4-(4-Chlorophenyl)piperazin-1-yl]ethyl]-3-methoxybenzamide (1), a high-affinity and selective dopamine D(4) receptor ligand, was chosen as a lead, and structural modifications were done on its amide bond and on its alkyl chain linking the benzamide moiety to the piperazine ring and by preparing some ... aid4158.table aid4158.tbin
4159 2 Title: (R)-11-hydroxy- and (R)-11-hydroxy-10-methylaporphine: synthesis, pharmacology, and modeling of D2A and 5-HT1A receptor interactions. Abstract: (R)-11-Hydroxyaporphine (2) and (R)-11-hydroxy-10-methylaporphine (3) were synthesized from natural morphine by using new, short, and efficient synthetic sequences. The dopaminergic and serotonergic effects of 2 and 3 were evaluated by use of in vitro and in vivo test systems. The results indicate that 3 is a potent, selective, and efficacious 5-H... aid4159.table aid4159.tbin
4160 55 Title: (R)-1,2,3,4-tetrahydro[1]benzothieno[2,3-c]pyridines: novel optically active compounds with strong 5-HT1A receptor binding ability exhibiting anticonflict activity and lessening of memory impairment. Abstract: (R)-1,2,3,4-Tetrahydro[1]benzothieno[2,3-c]pyridine derivatives (60-114) were synthesized. The (R)-isomers have affinity for the 5-HT1A receptor while the (S)-isomers have no such ability. The affinity of the (R)-isomers was discussed on the basis of structure-activity relationships... aid4160.table aid4160.tbin
4161 4 Title: [[(Arylpiperazinyl)alkyl]thio]thieno[2,3-d]pyrimidinone derivatives as high-affinity, selective 5-HT1A receptor ligands. Abstract: A series of 2-[[(4-aryl-1-piperazinyl)alkyl]thio]thieno[2,3-d]pyrimidin-4 (1H)-one and 3-substituted 2-[[(4-aryl-1-piperazinyl)alky]thio]thieno[2,3-d]pyrimidin-4 (3H)-one derivatives was prepared and evaluated for in vitro 5-HT1A receptor affinity by radioligand binding assays; the selectivity for 5-HT1A receptors rather than alpha 1-adrenoceptors was also exa... aid4161.table aid4161.tbin
4162 2 Title: Studies on quinazolines and 1,2,4-benzothiadiazine 1,1-dioxides. 8.1, 2 synthesis and pharmacological evaluation of tricyclic fused quinazolines and 1,2,4-benzothiadiazine 1,1-dioxides as potential alpha1-adrenoceptor antagonists. Abstract: A series of 2-substituted methyl 2,3-dihydroimidazo[1, 2-c]quinazolin-5(6H)-ones (4), 3-substituted methyl 2, 3-dihydroimidazo[1,2-c]quinazolin-5(6H)-ones (5), 3-substituted methyl 2,3-dihydro-5H-thiazolo[2,3-b]quinazolin-5-ones (15a,b), 3-substituted ... aid4162.table aid4162.tbin
4163 1 Title: Derivatives of (R)- and (S)-5-fluoro-8-hydroxy-2-(dipropylamino)tetralin: synthesis and interactions with 5-HT1A receptors. Abstract: Analogs of the 5-HT1A receptor antagonist (S)-5-fluoro-8-hydroxy-2-(dipropylamino)tetralin [(S)-1,(S)-UH301] have been prepared. The C8-substituent has been varied, and in some derivatives one of the N-propyl groups has been exchanged for a 4-(8-aza-7,9-dioxospiro[4.5]decan-8-yl)-butyl group. The novel compounds have been evaluated for affinity to rat brain... aid4163.table aid4163.tbin
4164 1 Title: Derivatives of (R)- and (S)-5-fluoro-8-hydroxy-2-(dipropylamino)tetralin: synthesis and interactions with 5-HT1A receptors. Abstract: Analogs of the 5-HT1A receptor antagonist (S)-5-fluoro-8-hydroxy-2-(dipropylamino)tetralin [(S)-1,(S)-UH301] have been prepared. The C8-substituent has been varied, and in some derivatives one of the N-propyl groups has been exchanged for a 4-(8-aza-7,9-dioxospiro[4.5]decan-8-yl)-butyl group. The novel compounds have been evaluated for affinity to rat brain... aid4164.table aid4164.tbin
4165 1 Title: Derivatives of (R)- and (S)-5-fluoro-8-hydroxy-2-(dipropylamino)tetralin: synthesis and interactions with 5-HT1A receptors. Abstract: Analogs of the 5-HT1A receptor antagonist (S)-5-fluoro-8-hydroxy-2-(dipropylamino)tetralin [(S)-1,(S)-UH301] have been prepared. The C8-substituent has been varied, and in some derivatives one of the N-propyl groups has been exchanged for a 4-(8-aza-7,9-dioxospiro[4.5]decan-8-yl)-butyl group. The novel compounds have been evaluated for affinity to rat brain... aid4165.table aid4165.tbin
4166 1 Title: Derivatives of (R)- and (S)-5-fluoro-8-hydroxy-2-(dipropylamino)tetralin: synthesis and interactions with 5-HT1A receptors. Abstract: Analogs of the 5-HT1A receptor antagonist (S)-5-fluoro-8-hydroxy-2-(dipropylamino)tetralin [(S)-1,(S)-UH301] have been prepared. The C8-substituent has been varied, and in some derivatives one of the N-propyl groups has been exchanged for a 4-(8-aza-7,9-dioxospiro[4.5]decan-8-yl)-butyl group. The novel compounds have been evaluated for affinity to rat brain... aid4166.table aid4166.tbin
4167 7 Title: Derivatives of (R)- and (S)-5-fluoro-8-hydroxy-2-(dipropylamino)tetralin: synthesis and interactions with 5-HT1A receptors. Abstract: Analogs of the 5-HT1A receptor antagonist (S)-5-fluoro-8-hydroxy-2-(dipropylamino)tetralin [(S)-1,(S)-UH301] have been prepared. The C8-substituent has been varied, and in some derivatives one of the N-propyl groups has been exchanged for a 4-(8-aza-7,9-dioxospiro[4.5]decan-8-yl)-butyl group. The novel compounds have been evaluated for affinity to rat brain... aid4167.table aid4167.tbin
4168 1 Title: Derivatives of (R)- and (S)-5-fluoro-8-hydroxy-2-(dipropylamino)tetralin: synthesis and interactions with 5-HT1A receptors. Abstract: Analogs of the 5-HT1A receptor antagonist (S)-5-fluoro-8-hydroxy-2-(dipropylamino)tetralin [(S)-1,(S)-UH301] have been prepared. The C8-substituent has been varied, and in some derivatives one of the N-propyl groups has been exchanged for a 4-(8-aza-7,9-dioxospiro[4.5]decan-8-yl)-butyl group. The novel compounds have been evaluated for affinity to rat brain... aid4168.table aid4168.tbin
4169 15 Title: Derivatives of (R)- and (S)-5-fluoro-8-hydroxy-2-(dipropylamino)tetralin: synthesis and interactions with 5-HT1A receptors. Abstract: Analogs of the 5-HT1A receptor antagonist (S)-5-fluoro-8-hydroxy-2-(dipropylamino)tetralin [(S)-1,(S)-UH301] have been prepared. The C8-substituent has been varied, and in some derivatives one of the N-propyl groups has been exchanged for a 4-(8-aza-7,9-dioxospiro[4.5]decan-8-yl)-butyl group. The novel compounds have been evaluated for affinity to rat brain... aid4169.table aid4169.tbin
4170 1 Title: Derivatives of (R)- and (S)-5-fluoro-8-hydroxy-2-(dipropylamino)tetralin: synthesis and interactions with 5-HT1A receptors. Abstract: Analogs of the 5-HT1A receptor antagonist (S)-5-fluoro-8-hydroxy-2-(dipropylamino)tetralin [(S)-1,(S)-UH301] have been prepared. The C8-substituent has been varied, and in some derivatives one of the N-propyl groups has been exchanged for a 4-(8-aza-7,9-dioxospiro[4.5]decan-8-yl)-butyl group. The novel compounds have been evaluated for affinity to rat brain... aid4170.table aid4170.tbin
4171 21 Title: Derivatives of (R)- and (S)-5-fluoro-8-hydroxy-2-(dipropylamino)tetralin: synthesis and interactions with 5-HT1A receptors. Abstract: Analogs of the 5-HT1A receptor antagonist (S)-5-fluoro-8-hydroxy-2-(dipropylamino)tetralin [(S)-1,(S)-UH301] have been prepared. The C8-substituent has been varied, and in some derivatives one of the N-propyl groups has been exchanged for a 4-(8-aza-7,9-dioxospiro[4.5]decan-8-yl)-butyl group. The novel compounds have been evaluated for affinity to rat brain... aid4171.table aid4171.tbin
4172 1 Title: Derivatives of (R)- and (S)-5-fluoro-8-hydroxy-2-(dipropylamino)tetralin: synthesis and interactions with 5-HT1A receptors. Abstract: Analogs of the 5-HT1A receptor antagonist (S)-5-fluoro-8-hydroxy-2-(dipropylamino)tetralin [(S)-1,(S)-UH301] have been prepared. The C8-substituent has been varied, and in some derivatives one of the N-propyl groups has been exchanged for a 4-(8-aza-7,9-dioxospiro[4.5]decan-8-yl)-butyl group. The novel compounds have been evaluated for affinity to rat brain... aid4172.table aid4172.tbin
4173 15 Title: Derivatives of (R)- and (S)-5-fluoro-8-hydroxy-2-(dipropylamino)tetralin: synthesis and interactions with 5-HT1A receptors. Abstract: Analogs of the 5-HT1A receptor antagonist (S)-5-fluoro-8-hydroxy-2-(dipropylamino)tetralin [(S)-1,(S)-UH301] have been prepared. The C8-substituent has been varied, and in some derivatives one of the N-propyl groups has been exchanged for a 4-(8-aza-7,9-dioxospiro[4.5]decan-8-yl)-butyl group. The novel compounds have been evaluated for affinity to rat brain... aid4173.table aid4173.tbin
4174 1 Title: Derivatives of (R)- and (S)-5-fluoro-8-hydroxy-2-(dipropylamino)tetralin: synthesis and interactions with 5-HT1A receptors. Abstract: Analogs of the 5-HT1A receptor antagonist (S)-5-fluoro-8-hydroxy-2-(dipropylamino)tetralin [(S)-1,(S)-UH301] have been prepared. The C8-substituent has been varied, and in some derivatives one of the N-propyl groups has been exchanged for a 4-(8-aza-7,9-dioxospiro[4.5]decan-8-yl)-butyl group. The novel compounds have been evaluated for affinity to rat brain... aid4174.table aid4174.tbin
4175 21 Title: Derivatives of (R)- and (S)-5-fluoro-8-hydroxy-2-(dipropylamino)tetralin: synthesis and interactions with 5-HT1A receptors. Abstract: Analogs of the 5-HT1A receptor antagonist (S)-5-fluoro-8-hydroxy-2-(dipropylamino)tetralin [(S)-1,(S)-UH301] have been prepared. The C8-substituent has been varied, and in some derivatives one of the N-propyl groups has been exchanged for a 4-(8-aza-7,9-dioxospiro[4.5]decan-8-yl)-butyl group. The novel compounds have been evaluated for affinity to rat brain... aid4175.table aid4175.tbin
4176 1 Title: Derivatives of (R)- and (S)-5-fluoro-8-hydroxy-2-(dipropylamino)tetralin: synthesis and interactions with 5-HT1A receptors. Abstract: Analogs of the 5-HT1A receptor antagonist (S)-5-fluoro-8-hydroxy-2-(dipropylamino)tetralin [(S)-1,(S)-UH301] have been prepared. The C8-substituent has been varied, and in some derivatives one of the N-propyl groups has been exchanged for a 4-(8-aza-7,9-dioxospiro[4.5]decan-8-yl)-butyl group. The novel compounds have been evaluated for affinity to rat brain... aid4176.table aid4176.tbin
4177 4 Title: Derivatives of (R)- and (S)-5-fluoro-8-hydroxy-2-(dipropylamino)tetralin: synthesis and interactions with 5-HT1A receptors. Abstract: Analogs of the 5-HT1A receptor antagonist (S)-5-fluoro-8-hydroxy-2-(dipropylamino)tetralin [(S)-1,(S)-UH301] have been prepared. The C8-substituent has been varied, and in some derivatives one of the N-propyl groups has been exchanged for a 4-(8-aza-7,9-dioxospiro[4.5]decan-8-yl)-butyl group. The novel compounds have been evaluated for affinity to rat brain... aid4177.table aid4177.tbin
4178 3 Title: Derivatives of (R)- and (S)-5-fluoro-8-hydroxy-2-(dipropylamino)tetralin: synthesis and interactions with 5-HT1A receptors. Abstract: Analogs of the 5-HT1A receptor antagonist (S)-5-fluoro-8-hydroxy-2-(dipropylamino)tetralin [(S)-1,(S)-UH301] have been prepared. The C8-substituent has been varied, and in some derivatives one of the N-propyl groups has been exchanged for a 4-(8-aza-7,9-dioxospiro[4.5]decan-8-yl)-butyl group. The novel compounds have been evaluated for affinity to rat brain... aid4178.table aid4178.tbin
4179 9 Title: Derivatives of (R)- and (S)-5-fluoro-8-hydroxy-2-(dipropylamino)tetralin: synthesis and interactions with 5-HT1A receptors. Abstract: Analogs of the 5-HT1A receptor antagonist (S)-5-fluoro-8-hydroxy-2-(dipropylamino)tetralin [(S)-1,(S)-UH301] have been prepared. The C8-substituent has been varied, and in some derivatives one of the N-propyl groups has been exchanged for a 4-(8-aza-7,9-dioxospiro[4.5]decan-8-yl)-butyl group. The novel compounds have been evaluated for affinity to rat brain... aid4179.table aid4179.tbin
4180 5 Title: Derivatives of (R)- and (S)-5-fluoro-8-hydroxy-2-(dipropylamino)tetralin: synthesis and interactions with 5-HT1A receptors. Abstract: Analogs of the 5-HT1A receptor antagonist (S)-5-fluoro-8-hydroxy-2-(dipropylamino)tetralin [(S)-1,(S)-UH301] have been prepared. The C8-substituent has been varied, and in some derivatives one of the N-propyl groups has been exchanged for a 4-(8-aza-7,9-dioxospiro[4.5]decan-8-yl)-butyl group. The novel compounds have been evaluated for affinity to rat brain... aid4180.table aid4180.tbin
4181 4 Title: Derivatives of (R)- and (S)-5-fluoro-8-hydroxy-2-(dipropylamino)tetralin: synthesis and interactions with 5-HT1A receptors. Abstract: Analogs of the 5-HT1A receptor antagonist (S)-5-fluoro-8-hydroxy-2-(dipropylamino)tetralin [(S)-1,(S)-UH301] have been prepared. The C8-substituent has been varied, and in some derivatives one of the N-propyl groups has been exchanged for a 4-(8-aza-7,9-dioxospiro[4.5]decan-8-yl)-butyl group. The novel compounds have been evaluated for affinity to rat brain... aid4181.table aid4181.tbin
4182 9 Title: Derivatives of (R)- and (S)-5-fluoro-8-hydroxy-2-(dipropylamino)tetralin: synthesis and interactions with 5-HT1A receptors. Abstract: Analogs of the 5-HT1A receptor antagonist (S)-5-fluoro-8-hydroxy-2-(dipropylamino)tetralin [(S)-1,(S)-UH301] have been prepared. The C8-substituent has been varied, and in some derivatives one of the N-propyl groups has been exchanged for a 4-(8-aza-7,9-dioxospiro[4.5]decan-8-yl)-butyl group. The novel compounds have been evaluated for affinity to rat brain... aid4182.table aid4182.tbin
4183 1 Title: Derivatives of (R)- and (S)-5-fluoro-8-hydroxy-2-(dipropylamino)tetralin: synthesis and interactions with 5-HT1A receptors. Abstract: Analogs of the 5-HT1A receptor antagonist (S)-5-fluoro-8-hydroxy-2-(dipropylamino)tetralin [(S)-1,(S)-UH301] have been prepared. The C8-substituent has been varied, and in some derivatives one of the N-propyl groups has been exchanged for a 4-(8-aza-7,9-dioxospiro[4.5]decan-8-yl)-butyl group. The novel compounds have been evaluated for affinity to rat brain... aid4183.table aid4183.tbin
4184 1 Title: Derivatives of (R)- and (S)-5-fluoro-8-hydroxy-2-(dipropylamino)tetralin: synthesis and interactions with 5-HT1A receptors. Abstract: Analogs of the 5-HT1A receptor antagonist (S)-5-fluoro-8-hydroxy-2-(dipropylamino)tetralin [(S)-1,(S)-UH301] have been prepared. The C8-substituent has been varied, and in some derivatives one of the N-propyl groups has been exchanged for a 4-(8-aza-7,9-dioxospiro[4.5]decan-8-yl)-butyl group. The novel compounds have been evaluated for affinity to rat brain... aid4184.table aid4184.tbin
4185 1 Title: Derivatives of (R)- and (S)-5-fluoro-8-hydroxy-2-(dipropylamino)tetralin: synthesis and interactions with 5-HT1A receptors. Abstract: Analogs of the 5-HT1A receptor antagonist (S)-5-fluoro-8-hydroxy-2-(dipropylamino)tetralin [(S)-1,(S)-UH301] have been prepared. The C8-substituent has been varied, and in some derivatives one of the N-propyl groups has been exchanged for a 4-(8-aza-7,9-dioxospiro[4.5]decan-8-yl)-butyl group. The novel compounds have been evaluated for affinity to rat brain... aid4185.table aid4185.tbin
4186 1 Title: Derivatives of (R)- and (S)-5-fluoro-8-hydroxy-2-(dipropylamino)tetralin: synthesis and interactions with 5-HT1A receptors. Abstract: Analogs of the 5-HT1A receptor antagonist (S)-5-fluoro-8-hydroxy-2-(dipropylamino)tetralin [(S)-1,(S)-UH301] have been prepared. The C8-substituent has been varied, and in some derivatives one of the N-propyl groups has been exchanged for a 4-(8-aza-7,9-dioxospiro[4.5]decan-8-yl)-butyl group. The novel compounds have been evaluated for affinity to rat brain... aid4186.table aid4186.tbin
4187 1 Title: Polycyclic aryl- and heteroarylpiperazinyl imides as 5-HT1A receptor ligands and potential anxiolytic agents: synthesis and structure-activity relationship studies. Abstract: A series of polycyclic aryl- and heteroarylpiperazinyl imides were prepared and tested in various receptor-binding and behavioral tests. Parameters measured included in vitro inhibition of D2 and 5-HT1A receptor binding, inhibition of apomorphine (APO) induced stereotyped and climbing behavior, and activity in blocki... aid4187.table aid4187.tbin
4188 17 Title: Polycyclic aryl- and heteroarylpiperazinyl imides as 5-HT1A receptor ligands and potential anxiolytic agents: synthesis and structure-activity relationship studies. Abstract: A series of polycyclic aryl- and heteroarylpiperazinyl imides were prepared and tested in various receptor-binding and behavioral tests. Parameters measured included in vitro inhibition of D2 and 5-HT1A receptor binding, inhibition of apomorphine (APO) induced stereotyped and climbing behavior, and activity in blocki... aid4188.table aid4188.tbin
4189 14 Title: New benzocycloalkylpiperazines, potent and selective 5-HT1A receptor ligands. Abstract: A series of 1-(benzocycloalkyl)-4-(benzamidolkyl)piperazine derivatives was prepared in order to obtain compounds with a high affinity and selectivity for 5-HT1A receptors. The modifications of aromatic substituents, the length of the alkyl chain, and the size of the ring were explored. Most of N-(1,2,3,4-tetrahydronaphthyl)-N'-(benzamidoethyl)piperazines (32-37) were bound to 5-HT1A receptors in a nan... aid4189.table aid4189.tbin
4190 27 Title: Synthesis and SAR of adatanserin: novel adamantyl aryl- and heteroarylpiperazines with dual serotonin 5-HT(1A) and 5-HT(2) activity as potential anxiolytic and antidepressant agents. Abstract: Several novel functionalized adamantyl aryl- and heteroarylpiperazine derivatives were prepared and examined in various receptor binding and behavioral tests to determine their serotonin receptor activities. Many compounds demonstrated modest to high affinity for 5-HT(1A) receptors, with compounds 9... aid4190.table aid4190.tbin
4191 1 Title: Synthesis and SAR of adatanserin: novel adamantyl aryl- and heteroarylpiperazines with dual serotonin 5-HT(1A) and 5-HT(2) activity as potential anxiolytic and antidepressant agents. Abstract: Several novel functionalized adamantyl aryl- and heteroarylpiperazine derivatives were prepared and examined in various receptor binding and behavioral tests to determine their serotonin receptor activities. Many compounds demonstrated modest to high affinity for 5-HT(1A) receptors, with compounds 9... aid4191.table aid4191.tbin
4192 1 Title: Synthesis and SAR of adatanserin: novel adamantyl aryl- and heteroarylpiperazines with dual serotonin 5-HT(1A) and 5-HT(2) activity as potential anxiolytic and antidepressant agents. Abstract: Several novel functionalized adamantyl aryl- and heteroarylpiperazine derivatives were prepared and examined in various receptor binding and behavioral tests to determine their serotonin receptor activities. Many compounds demonstrated modest to high affinity for 5-HT(1A) receptors, with compounds 9... aid4192.table aid4192.tbin
4193 8 Title: Synthesis and molecular modeling of new 1-aryl-3-[4-arylpiperazin-1-yl]-1-propane derivatives with high affinity at the serotonin transporter and at 5-HT(1A) receptors. Abstract: It has been proposed that 5-HT(1A) receptor antagonists augment the antidepressant efficacy of selective serotonin (5-HT) reuptake inhibitors. In a search toward new and efficient antidepressants, 1-(aryl)-3-[4-arylpiperazin-1-yl]-1-propane molecular hybrids were designed, synthesized, and evaluated for 5-HT reup... aid4193.table aid4193.tbin
4194 1 Title: A structure-affinity relationship study on derivatives of N-[2-[4-(4-Chlorophenyl)piperazin-1-yl]ethyl]-3-methoxybenzamide, a high-affinity and selective D(4) receptor ligand. Abstract: N-[2-[4-(4-Chlorophenyl)piperazin-1-yl]ethyl]-3-methoxybenzamide (1), a high-affinity and selective dopamine D(4) receptor ligand, was chosen as a lead, and structural modifications were done on its amide bond and on its alkyl chain linking the benzamide moiety to the piperazine ring and by preparing some ... aid4194.table aid4194.tbin
4195 3 Title: N-Substituted (2,3-dihydro-1,4-benzodioxin-2-yl)methylamine derivatives as D(2) antagonists/5-HT(1A) partial agonists with potential as atypical antipsychotic agents. Abstract: A series of N-substituted 1-(2,3-dihydro-1, 4-benzodioxin-2-yl)methylamine derivatives with D(2) antagonist/5-HT(1A) partial agonist activity has been prepared as potential atypical antipsychotic agents. Optimization of in vitro receptor binding activity and in vivo activity in rodent models of psychosis has led to... aid4195.table aid4195.tbin
4196 32 Title: QSAR study on the affinity of some arylpiperazines towards the 5-HT1A/alpha1-adrenergic receptor using the E-state index. Abstract: QSAR models represent the relationship of biological activity with either physicochemical parameters or structural indices. QSAR study was performed on some arylpiperazines as 5-HT(1A)/alpha(1)-adrenergic receptor antagonists using E-state indices to identify the pharmacophoric requirements. It was found that some of the atoms played important roles to both a... aid4196.table aid4196.tbin
4197 1 Title: 1-(2,5-Dimethoxy-4-(trifluoromethyl)phenyl)-2-aminopropane: a potent serotonin 5-HT2A/2C agonist. Abstract: A method was found to synthesize 1-(2,5-dimethoxy-4-(trifluoromethyl) phenyl)-2-aminopropane, 5, and its des-alpha-methyl congener 2-(2,5-dimethoxy-4-(trifluoromethyl)phenyl)aminoethane, 6, the trifluoromethyl analogs of substituted hallucinogenic phenethylamine derivatives such as 1-(2,5-dimethoxy-4-iodophenyl)-2-aminopropane (3, DOI) that are potent 5-HT2A/2C agonists. In our hand... aid4197.table aid4197.tbin
4198 1 Title: Isoindol-1-one analogues of 4-(2'-methoxyphenyl)-1-[2'-[N-(2&quot;-pyridyl)-p-iodobenzamido]ethyl]pipera zine (p-MPPI) as 5-HT1A receptor ligands. Abstract: In developing radioiodinated antagonists for in vivo imaging of 5-HT1A receptors with SPECT, a series of new arylpiperazine benzamido derivatives, including 4-(2'-methoxyphenyl)-1-[2'-[N-(2&quot;-pyridyl)-p-iodobenzamido]ethyl]p iperazine (p-MPPI, 31) (Kd = 0.36 nM), as potential ligands for 5-HT1A receptors were reported previously. ... aid4198.table aid4198.tbin
4199 1 Title: Synthesis and evaluation of 4-(2'-methoxyphenyl)-1-[2'-[N-(2&quot;-pyridinyl)-p- iodobenzamido]ethyl]piperazine (p-MPPI): a new iodinated 5-HT1A ligand. aid4199.table aid4199.tbin
4200 1 Title: Synthesis and evaluation of 4-(2'-methoxyphenyl)-1-[2'-[N-(2&quot;-pyridinyl)-p- iodobenzamido]ethyl]piperazine (p-MPPI): a new iodinated 5-HT1A ligand. aid4200.table aid4200.tbin
4201 10 Title: On the bioactive conformation of NAN-190 (1) and MP3022 (2), 5-HT(1A) receptor antagonists. Abstract: Structural modifications of 1, a postsynaptic 5-HT(1A) receptor antagonist, provided its flexible (8, 12) and rigid (7, 9, 11, 13) analogues. Compounds 7, 8, 9, and 11 showed high 5-HT(1A) receptor affinity (K(i) = 4-72 nM). They acted as 5-HT(1A) postsynaptic receptor antagonists, since, like 1, they inhibited the behavioral syndrome, i.e., flat body posture (FBP) and forepaw treading (F... aid4201.table aid4201.tbin
4202 16 Title: New arylpiperazine 5-HT(1A) receptor ligands containing the pyrimido[2,1-f]purine fragment: synthesis, in vitro, and in vivo pharmacological evaluation. Abstract: New 1H,3H-pyrimido[2,1-f]purine-2,4-dione derivatives of arylpiperazine (11-22) were prepared and evaluated in vitro for their affinity for 5-HT(1A), 5-HT(2A), alpha(1), and D(2) receptors. The tested compounds showed high affinity for 5-HT(1A) and alpha(1) receptors (K(i) = 1.1-87 and 10-62 nM, respectively) and moderate to low... aid4202.table aid4202.tbin
4203 5 Title: Novel potent and selective central 5-HT3 receptor ligands provided with different intrinsic efficacy. 1. Mapping the central 5-HT3 receptor binding site by arylpiperazine derivatives. Abstract: Synthesis and pharmacological evaluation of a series of condensed quinoline and pyridine derivatives bearing a N-methylpiperazine moiety attached to the 2-position of the quinoline or pyridine nucleus are described. 5-HT receptor binding studies revealed subnanomolar affinity for the 5-HT3 receptor... aid4203.table aid4203.tbin
4204 1 Title: Novel potent and selective central 5-HT3 receptor ligands provided with different intrinsic efficacy. 1. Mapping the central 5-HT3 receptor binding site by arylpiperazine derivatives. Abstract: Synthesis and pharmacological evaluation of a series of condensed quinoline and pyridine derivatives bearing a N-methylpiperazine moiety attached to the 2-position of the quinoline or pyridine nucleus are described. 5-HT receptor binding studies revealed subnanomolar affinity for the 5-HT3 receptor... aid4204.table aid4204.tbin
4205 3 Title: (R)-11-hydroxy- and (R)-11-hydroxy-10-methylaporphine: synthesis, pharmacology, and modeling of D2A and 5-HT1A receptor interactions. Abstract: (R)-11-Hydroxyaporphine (2) and (R)-11-hydroxy-10-methylaporphine (3) were synthesized from natural morphine by using new, short, and efficient synthetic sequences. The dopaminergic and serotonergic effects of 2 and 3 were evaluated by use of in vitro and in vivo test systems. The results indicate that 3 is a potent, selective, and efficacious 5-H... aid4205.table aid4205.tbin
4206 3 Title: Dihydrobenzofuran analogues of hallucinogens. 4. Mescaline derivatives. Abstract: Dihydrobenzofuran and tetrahydrobenzodifuran functionalities were employed as conformationally restricted bioisosteres of the aromatic methoxy groups in the prototypical hallucinogen, mescaline (1). Thus, 4-(2-aminoethyl)-6,7-dimethoxy-2,3-dihydrobenzofuran hydrochloride (8) and 1-(8-methoxy-2,3,5,6-tetrahydrobenzo[1,2-b:5,4-b']difuran-4-yl)-2- aminoethane hydrochloride (9) were prepared and evaluated along ... aid4206.table aid4206.tbin
4207 1 Title: Dihydrobenzofuran analogues of hallucinogens. 4. Mescaline derivatives. Abstract: Dihydrobenzofuran and tetrahydrobenzodifuran functionalities were employed as conformationally restricted bioisosteres of the aromatic methoxy groups in the prototypical hallucinogen, mescaline (1). Thus, 4-(2-aminoethyl)-6,7-dimethoxy-2,3-dihydrobenzofuran hydrochloride (8) and 1-(8-methoxy-2,3,5,6-tetrahydrobenzo[1,2-b:5,4-b']difuran-4-yl)-2- aminoethane hydrochloride (9) were prepared and evaluated along ... aid4207.table aid4207.tbin
4208 6 Title: Substituted naphthofurans as hallucinogenic phenethylamine-ergoline hybrid molecules with unexpected muscarinic antagonist activity. Abstract: A series of substituted racemic naphthofurans were synthesized as &quot;hybrid&quot; molecules of the two major prototypical hallucinogenic drug classes, the phenethylamines and the tryptamines/ergolines. Although it was hypothesized that these new agents might possess high affinity for the serotonin 5-HT2A/2C receptor subtypes, unexpected affinity... aid4208.table aid4208.tbin
4209 2 Title: (R)- and (S)-5,6,7,8-tetrahydro-1-hydroxy-N,N-dipropyl-9H-benzocyclohepten- 8-ylamine. Stereoselective interactions with 5-HT1A receptors in the brain. Abstract: The enantiomers of 5,6,7,8-tetrahydro-1-hydroxy-N,N-dipropyl-9H-benzocyclohepten-8-++ +ylamine (3) have been synthesized and evaluated for central 5-hydroxytryptamine (5-HT) and dopamine (DA) receptor activity by use of behavioral and biochemical tests in rats. In addition, the ability of the compounds to displace [3H]-8-OH-DPAT ... aid4209.table aid4209.tbin
4210 1 Title: (R)- and (S)-5,6,7,8-tetrahydro-1-hydroxy-N,N-dipropyl-9H-benzocyclohepten- 8-ylamine. Stereoselective interactions with 5-HT1A receptors in the brain. Abstract: The enantiomers of 5,6,7,8-tetrahydro-1-hydroxy-N,N-dipropyl-9H-benzocyclohepten-8-++ +ylamine (3) have been synthesized and evaluated for central 5-hydroxytryptamine (5-HT) and dopamine (DA) receptor activity by use of behavioral and biochemical tests in rats. In addition, the ability of the compounds to displace [3H]-8-OH-DPAT ... aid4210.table aid4210.tbin
4211 2 Title: Stereoselective LSD-like activity in d-lysergic acid amides of (R)- and (S)-2-aminobutane. Abstract: The (R)- and (S)-2-butylamides of d-lysergic acid were prepared and evaluated in behavioral and biochemical assays of 5-HT2 agonist activity. In rats trained to discriminate 0.08 mg/kg LSD tartrate from saline, both isomers completely substituted for the training stimulus. Similarly, both isomers were found to possess very high affinity in displacing [125I]-(R)-DOI ([125I]-(R)-1-(2,5-dimet... aid4211.table aid4211.tbin
4212 3 Title: Benzofuran bioisosteres of hallucinogenic tryptamines. Abstract: The benzofuran analogues of the hallucinogens 5-methoxy-N,N-dimethyltryptamine and 5-methoxy-alpha-methyltryptamine were synthesized and evaluated for affinity at the serotonin 5-HT2 and 5-HT1A receptors in rat brain homogenate, labeled with [125I]-1-(2,5-dimethoxy-4-iodophenyl)-2-aminopropane ([125I]DOI) and [3H]-8-hydroxy-2-(N,N-di-n-propylamino)tetralin ([3H]-8-OH-DPAT), respectively. At the 5-HT2 receptor, the benzofuran... aid4212.table aid4212.tbin
4213 14 Title: Binding of indolylalkylamines at 5-HT2 serotonin receptors: examination of a hydrophobic binding region. Abstract: Taking advantage of a proposed hydrophobic region on 5-HT2 receptors previously identified by radioligand-binding studies utilizing various phenylisopropylamine derivatives, we prepared and evaluated several N1 - and/or C7-alkyl-substituted derivatives of alpha-methyltryptamine in order to improve its affinity and selectivity. It was determined that substitution of an n-propy... aid4213.table aid4213.tbin
4214 11 Title: Syntheses and binding studies of new [(aryl)(aryloxy)methyl]piperidine derivatives and related compounds as potential antidepressant drugs with high affinity for serotonin (5-HT) and norepinephrine (NE) transporters. Abstract: In a wide search program toward new, efficient, and fast-acting antidepressant drugs, we have prepared series of new compounds having an (aryl)(aryloxy)methyl moiety linked directly or through a methylene chain to different substituted and unsubstituted cycles (isoq... aid4214.table aid4214.tbin
4215 24 Title: Alpha(1)-adrenoceptor antagonists. 4. Pharmacophore-based design, synthesis, and biological evaluation of new imidazo-, benzimidazo-, and indoloarylpiperazine derivatives. Abstract: As a part of a program aimed at discovering compounds endowed with alpha(1)-adrenoceptor (AR) blocking properties, in this paper we describe the synthesis and biological characterization of the compounds designed to fully match a three-dimensional pharmacophore model for alpha(1)-AR antagonists previously deve... aid4215.table aid4215.tbin
4216 10 Title: Orally active central dopamine and serotonin receptor ligands: 5-, 6-, 7-, and 8-[[trifluoromethyl)sulfonyl]oxy]-2-(di-n-propylamino)tetralins and the formation of active metabolites in vivo. Abstract: The racemic triflate derivatives 5-8 of the 5-, 6-, 7-, and 8-hydroxylated 2-(di-n-propylamino)-teralins 1-4 were shown to possess similar pharmacological profiles to their phenolic counterparts in in vitro binding and in vivo biochemical and behavioral assays in rats. Consequently, subcuta... aid4216.table aid4216.tbin
4217 1 Title: N,N-di-n-propylserotonin: binding at serotonin binding sites and a comparison with 8-hydroxy-2-(di-n-propylamino)tetralin. Abstract: 8-Hydroxy-2-(di-n-propylamino)tetralin (8-OH-DPAT) is a serotonergic agonist with high affinity and selectivity for a particular population of central serotonin (5-HT) binding sites (i.e., 5-HT1A sites). Because the selectivity of 8-OH-DPAT may be due to the terminal amine substituents, the di-n-propyl analogue of 5-HT (i.e., 4) and of 5-methoxytryptamine (i... aid4217.table aid4217.tbin
4218 1 Title: Serotonergic properties of spiroxatrine enantiomers. Abstract: The neuroleptic drug spiperone (1) has proven very useful in the characterization of putative serotonin (5-hydroxytryptamine, 5-HT) receptors. Thus, 5-HT1 receptors have been divided into subtypes based on their affinities for 1: 5-HT1A sites have high affinity, while 5-HT1B sites have low affinity. However, the usefulness of 1 for the pharmacological characterization of 5-HT1A sites is limited because of its high affinity for... aid4218.table aid4218.tbin
4219 1 Title: Binding of indolylalkylamines at 5-HT2 serotonin receptors: examination of a hydrophobic binding region. Abstract: Taking advantage of a proposed hydrophobic region on 5-HT2 receptors previously identified by radioligand-binding studies utilizing various phenylisopropylamine derivatives, we prepared and evaluated several N1 - and/or C7-alkyl-substituted derivatives of alpha-methyltryptamine in order to improve its affinity and selectivity. It was determined that substitution of an n-propy... aid4219.table aid4219.tbin
4220 2 Title: New benzocycloalkylpiperazines, potent and selective 5-HT1A receptor ligands. Abstract: A series of 1-(benzocycloalkyl)-4-(benzamidolkyl)piperazine derivatives was prepared in order to obtain compounds with a high affinity and selectivity for 5-HT1A receptors. The modifications of aromatic substituents, the length of the alkyl chain, and the size of the ring were explored. Most of N-(1,2,3,4-tetrahydronaphthyl)-N'-(benzamidoethyl)piperazines (32-37) were bound to 5-HT1A receptors in a nan... aid4220.table aid4220.tbin
4221 1 Title: Chromeno[3,4-c]pyridin-5-ones: selective human dopamine D4 receptor antagonists as potential antipsychotic agents. Abstract: The discovery of a series of chromeno[3,4-c]pyridin-5-ones with selective affinity for the dopamine D4 receptor is described. Target compounds were tested for binding to cloned human dopamine D2, D3, and D4 receptor subtypes expressed in Chinese hamster ovary (CHO) K-1 cells. Several compounds demonstrated single digit nanomolar Ki values for binding to the D4 recep... aid4221.table aid4221.tbin
4222 6 Title: Synthesis and serotonin receptor affinities of a series of trans-2-(indol-3-yl)cyclopropylamine derivatives. Abstract: A series of four racemic ring-substituted trans-2-(indol-3-yl)cyclopropylamine derivatives was synthesized and tested for affinity at the 5-HT1A receptor, by competition with [3H]-8-OH-DPAT in rat hippocampal homogenates, and for affinity at the agonist-labeled cloned human 5-HT2A, 5-HT2B, and 5-HT2C receptor subtypes. None of the compounds had high affinity for the 5-HT1... aid4222.table aid4222.tbin
4223 5 Title: Aryl 1-but-3-ynyl-4-phenyl-1,2,3,6-tetrahydropyridines as potential antipsychotic agents: synthesis and structure-activity relationships. Abstract: A novel series of aryl 1-but-3-ynyl-4-phenyl-1,2,3,6-tetrahydropyridines with dopaminergic activity is described. The structure-activity relationships of this series were studied by synthesis of analogs and evaluation of their affinities for the dopamine (DA) D2 receptor and inhibition of locomotor activity (LMA) in rodents. The basic amine, a... aid4223.table aid4223.tbin
4224 8 Title: A 3-D model for 5-HT1A-receptor agonists based on stereoselective methyl-substituted and conformationally restricted analogues of 8-hydroxy-2-(dipropylamino)tetralin. Abstract: The enantiomers of cis- and trans-1,2,3,4,4a,5,10,10a-octahydro-9-hydroxy-1- propylbenzo[g]quinolines (10 and 11, respectively) and the enantiomers of trans-1,2,3,4,4a,5,6,10b-octahydro-10- hydroxy-4-propylbenzo[f]quinoline (12) have been synthesized and their stereochemical and conformational characteristics have ... aid4224.table aid4224.tbin
4225 16 Title: A 3-D model for 5-HT1A-receptor agonists based on stereoselective methyl-substituted and conformationally restricted analogues of 8-hydroxy-2-(dipropylamino)tetralin. Abstract: The enantiomers of cis- and trans-1,2,3,4,4a,5,10,10a-octahydro-9-hydroxy-1- propylbenzo[g]quinolines (10 and 11, respectively) and the enantiomers of trans-1,2,3,4,4a,5,6,10b-octahydro-10- hydroxy-4-propylbenzo[f]quinoline (12) have been synthesized and their stereochemical and conformational characteristics have ... aid4225.table aid4225.tbin
4226 18 Title: Activity of aromatic substituted phenylpiperazines lacking affinity for dopamine binding sites in a preclinical test of antipsychotic efficacy. Abstract: Generally, antipsychotic agents are dopamine receptor blocking agents that also block conditioned avoidance responding (CAR) in the rat. Recently, however, both (Q-methoxyphenyl)piperazine (OMPP, 1h) and (m-chlorophenyl)piperazine (MCPP, 1o) have been reported to block conditioned avoidance responding in the rat although neither has dopa... aid4226.table aid4226.tbin
4227 1 Title: (R)-1,2,3,4-tetrahydro[1]benzothieno[2,3-c]pyridines: novel optically active compounds with strong 5-HT1A receptor binding ability exhibiting anticonflict activity and lessening of memory impairment. Abstract: (R)-1,2,3,4-Tetrahydro[1]benzothieno[2,3-c]pyridine derivatives (60-114) were synthesized. The (R)-isomers have affinity for the 5-HT1A receptor while the (S)-isomers have no such ability. The affinity of the (R)-isomers was discussed on the basis of structure-activity relationships... aid4227.table aid4227.tbin
4228 8 Title: The selective 5-HT1B receptor inverse agonist 1'-methyl-5-[[2'-methyl-4'-(5-methyl-1,2, 4-oxadiazol-3-yl)biphenyl-4-yl]carbonyl]-2,3,6,7-tetrahydro- spiro[furo[2,3-f]indole-3,4'-piperidine] (SB-224289) potently blocks terminal 5-HT autoreceptor function both in vitro and in vivo. Abstract: 5-HT1 receptors are members of the G-protein-coupled receptor superfamily and are negatively linked to adenylyl cyclase activity. The human 5-HT1B and 5-HT1D receptors (previously known as 5-HT1Dbeta an... aid4228.table aid4228.tbin
4229 1 The compound was evaluated for intrinsic activity against human cloned 5-hydroxytryptamine 1B receptor; Not determined aid4229.table aid4229.tbin
4230 1 The compound was evaluated for intrinsic activity against human cloned 5-hydroxytryptamine 1B receptor; Partial agonist aid4230.table aid4230.tbin
4231 1 The compound was evaluated for intrinsic activity against human cloned 5-hydroxytryptamine 1B receptor; Slient antagonist aid4231.table aid4231.tbin
4232 4 The compound was evaluated for intrinsic activity against human cloned 5-hydroxytryptamine 1B receptor aid4232.table aid4232.tbin
4233 1 The compound was evaluated for intrinsic activity against human cloned 5-hydroxytryptamine 1B receptor; Not determined aid4233.table aid4233.tbin
4234 3 The compound was evaluated for intrinsic activity against human cloned 5-hydroxytryptamine 1B receptor; silent antagonist aid4234.table aid4234.tbin
4235 28 Title: Synthesis and structure-affinity relationship investigations of 5-heteroaryl-substituted analogues of the antipsychotic sertindole. A new class of highly selective alpha(1) adrenoceptor antagonists. Abstract: A new class of 5-heteroaryl-substituted 1-(4-fluorophenyl)-3-(4-piperidinyl)-1H-indoles as highly selective and potentially CNS-active alpha 1-adrenoceptor antagonists is described. The compounds are derived from the antipsychotic sertindole. The structure-affinity relationships of t... aid4235.table aid4235.tbin
4236 1 Title: Synthesis and structure-affinity relationship investigations of 5-heteroaryl-substituted analogues of the antipsychotic sertindole. A new class of highly selective alpha(1) adrenoceptor antagonists. Abstract: A new class of 5-heteroaryl-substituted 1-(4-fluorophenyl)-3-(4-piperidinyl)-1H-indoles as highly selective and potentially CNS-active alpha 1-adrenoceptor antagonists is described. The compounds are derived from the antipsychotic sertindole. The structure-affinity relationships of t... aid4236.table aid4236.tbin
4237 1 Title: (+/-)8-Amino-5,6,7,8-tetrahydroisoquinolines as novel antinociceptive agents. Abstract: Several amine-substituted 8-amino-5,6,7,8-tetrahydroisoquinolines were examined as conformationally-constrained analogs of the nicotinic cholinergic (nACh) 3-(aminomethyl)pyridines. Although these ligands failed to bind at nACh receptors, the N-ethyl-N-methyl analog 3d was found to be at least equipotent with nicotine in rodent tests of antinociception. The mechanism of action of 3d is currently unknow... aid4237.table aid4237.tbin
4238 8 Title: N-Arylsulfonylindole derivatives as serotonin 5-HT(6) receptor ligands. Abstract: A series of N(1)-arylsulfonyltryptamines were found to be potent ligands of the human serotonin 5-HT(6) receptor with the 5-methoxy-1-benzenesulfonyl analogue (19) having the highest affinity. Additionally, it was discovered that a group such as 3-(3-methoxybenzyl)-1,2,4-oxadiazol-5-yl in the 2-position of the indole ring (43) can replace the arylsulfonyl substituent in the 1-position with no loss of affinit... aid4238.table aid4238.tbin
4239 5 Title: Differentiation between partial agonists and neutral 5-HT1B antagonists by chemical modulation of 3-[3-(N,N-dimethylamino)propyl]-4-hydroxy- N-[4-(pyridin-4-yl)phenyl]benzamide (GR-55562). Abstract: The synthesis and binding affinity at cloned h5-HT1D, h5-HT1D, and h5-HT1A receptors of 3-[3-(N,N-dimethylamino)propyl]-4-hydroxy- N-[4-(pyridin-4-yl)phenyl]benzamide (2, GR-55562) and four O-methylated analogs are described. The functional activity of these compounds was determined at the h5-... aid4239.table aid4239.tbin
4240 5 Title: Differentiation between partial agonists and neutral 5-HT1B antagonists by chemical modulation of 3-[3-(N,N-dimethylamino)propyl]-4-hydroxy- N-[4-(pyridin-4-yl)phenyl]benzamide (GR-55562). Abstract: The synthesis and binding affinity at cloned h5-HT1D, h5-HT1D, and h5-HT1A receptors of 3-[3-(N,N-dimethylamino)propyl]-4-hydroxy- N-[4-(pyridin-4-yl)phenyl]benzamide (2, GR-55562) and four O-methylated analogs are described. The functional activity of these compounds was determined at the h5-... aid4240.table aid4240.tbin
4241 11 Title: Synthesis of potent and selective dopamine D(4) antagonists as candidate radioligands. Abstract: A series of dopamine D(4) antagonists was synthesized and evaluated as potential candidates for development as positron emission tomography (PET) radioligands. All new compounds display high affinity and selectivity for the D(4) receptors and compounds 5b, 5d, and 5e were identified as candidates for radioligand development. aid4241.table aid4241.tbin
4242 27 Title: SAR development of a selective 5-HT1D antagonist/serotonin reuptake inhibitor lead using rapid parallel synthesis. Abstract: Incorporation of an SRI (serotonin reuptake inhibitor) pharmacophore into a selective 5-HT(1D) agonist has led to the discovery of a molecule having both 5-HT(1D) antagonist and SRI activity. RPS methodology was used to develop the SAR and identify potential approaches to reduce unwanted adrenergic alpha 1 and dopamine D(2) cross-reactivities. aid4242.table aid4242.tbin
4243 1 Title: Design and synthesis of novel alpha1a adrenoceptor-selective dihydropyridine antagonists for the treatment of benign prostatic hyperplasia. Abstract: We report the synthesis and evaluation of novel alpha1a adrenoceptor subtype-selective antagonists. Systematic modification of the lipophilic 4,4-diphenylpiperidinyl moiety of the dihydropyridine derivatives 1 and 2 provided several highly selective and potent alpha1a antagonists. From this series, we identified the 4-(methoxycarbonyl)-4-phe... aid4243.table aid4243.tbin
4244 8 Title: Dimers of 5HT1 ligands preferentially bind to 5HT1B/1D receptor subtypes. Abstract: New dimers of known 5HT1 ligands (5HT, 1-NP or 8-OH-DPAT) have been prepared and evaluated at human cloned 5HT1B, 5HT1D and 5HT1A receptors. Binding experiments show that all these dimers have better affinities at 5HT1B/1D receptors than their corresponding monomeric ligands. Studies of inhibition of the forskolin-stimulated c-AMP formation mediated by the human 5HT1B receptor show that hetero-bivalent lig... aid4244.table aid4244.tbin
4245 21 Title: 3-(2-pyrrolidin-1-ylethyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole derivatives as high affinity human 5-HT(1B/1D) ligands. Abstract: A series of 3-(2-pyrrolidin-1-ylethyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole derivatives (2) has been prepared using parallel synthesis techniques, and their structure-activity relationships studied. High affinity human 5-HT(1B/1D) (h5-HT(1B/1D)) ligands have been identified. aid4245.table aid4245.tbin
4246 1 Title: 3-(2-pyrrolidin-1-ylethyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole derivatives as high affinity human 5-HT(1B/1D) ligands. Abstract: A series of 3-(2-pyrrolidin-1-ylethyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole derivatives (2) has been prepared using parallel synthesis techniques, and their structure-activity relationships studied. High affinity human 5-HT(1B/1D) (h5-HT(1B/1D)) ligands have been identified. aid4246.table aid4246.tbin
4247 4 Title: Binding of beta-carbolines at 5-HT(2) serotonin receptors. Abstract: A series of ring-substituted (i.e., methoxy and bromo) 3,4-dihydro- and 1,2,3,4-tetrahydro-beta-carbolines was examined at 5-HT(2A) and 5-HT(2C) serotonin receptors. Whereas most of the methoxy-substituted derivatives typically displayed affinities similar to their unsubstituted parents, certain (particularly 8-substituted) bromo derivatives displayed enhanced affinity. A binding profile was obtained for selected beta-ca... aid4247.table aid4247.tbin
4248 19 Title: (R)-3-(N-methylpyrrolidin-2-ylmethyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole derivatives as high affinity h5-HT1B/1D ligands. Abstract: A series of (R)-3-(N-methylpyrrolidin-2-ylmethyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole derivatives (2) have been prepared using parallel synthesis, and their structure-activity relationship studied. High affinity human 5-HT(1B/1D) (h5-HT(1B/1D)) ligands have been identified. aid4248.table aid4248.tbin
4249 27 Title: Benzylimidazolines as h5-HT1B/1D serotonin receptor ligands: a structure-affinity investigation. Abstract: Benzylimidazolines may represent a class of 5-HT1D ligands that has yet to be exploited. On the basis of a previous report that the 2-(substituted-benzyl)imidazoline alpha-adrenergic agonist oxymetazoline (8) binds with high affinity at calf brain 5-HT1D receptors, we explored the structure-affinity relationships of a series of related derivatives. Each of the aromatic substituents w... aid4249.table aid4249.tbin
4250 1 Title: N-[3-(2-Dimethylaminoethyl)-2-methyl-1H- indol-5-yl]-4-fluorobenzamide: a potent, selective, and orally active 5-HT(1F) receptor agonist potentially useful for migraine therapy. Abstract: Recent studies have demonstrated that selective 5-HT(1F) receptor agonists inhibit neurogenic dural inflammation, a model of migraine headache, indicating that these compounds may be effective therapies for the treatment of migraine pain. This communication describes the synthesis and discovery of a nove... aid4250.table aid4250.tbin
4251 1 Title: N1-(Benzenesulfonyl)tryptamines as novel 5-HT6 antagonists. Abstract: N-Benzenesulfonyl-5-methoxy-N,N-dimethyltryptamine (BS/5-OMe DMT; 5) was shown to bind at human 5-HT6 serotonin receptors with high affinity (Ki = 2.3 nM) relative to serotonin (Ki = 78 nM). Structural variation failed to result in significantly enhanced affinity. BS/5-OMe DMT acts as an antagonist of 5-HT-stimulated adenylate cyclase (pA2 = 8.88 nM) and may represent the first member of a novel class of 5-HT6 antagonis... aid4251.table aid4251.tbin
4252 19 Title: Serotonin dimers: application of the bivalent ligand approach to the design of new potent and selective 5-HT(1B/1D) agonists. Abstract: A series of serotonin dimers of formula 4 in which two serotonin moeities are linked together through their 5-hydroxyl residue has been prepared and evaluated as 5-HT(1B/1D) receptor agonists. Binding experiments at cloned human 5-HT(1B), 5-HT(1D), and 5-HT(1A) receptors show that all of these dimers are very potent ligands at 5-HT(1B/1D) receptors with i... aid4252.table aid4252.tbin
4253 27 Title: 2-(1-Naphthyloxy)ethylamines with enhanced affinity for human 5-HT1D beta (h5-HT1B) serotonin receptors. Abstract: Although the beta-adrenergic antagonist propranolol (1) binds at rodent 5-HT1B serotonin receptors, it displays low affinity (Ki &gt; 10,000 nM) for its species homologue 5-HT1D beta (i.e., h5-HT1B) receptors. The structure of propranolol was systematically modified in an attempt to enhance its affinity for the latter population of receptors. Removal of the alkyl hydroxyl gro... aid4253.table aid4253.tbin
4254 33 Title: Novel potent 5-HT(1F) receptor agonists: structure-activity studies of a series of substituted N-[3-(1-methyl-4-piperidinyl)-1H-pyrrolo[3,2-b]pyridin-5-yl]amides. Abstract: Compound 1a (LY334370), a selective 5-HT(1F) receptor agonist (SSOFRA), inhibited dural inflammation in the neurogenic plasma protein extravasation model of migraine and demonstrated clinical efficacy for the acute treatment of migraine. Although 1a was greater than 100-fold selective over both the 5-HT(1B) and 5-HT(1D... aid4254.table aid4254.tbin
4255 3 Title: Dimerization of sumatriptan as an efficient way to design a potent, centrally and orally active 5-HT1B agonist. Abstract: A new bivalent ligand of formula 3 which results from the covalent coupling of two sumatriptan molecules with a p-xylyl spacer at the level of the sulfonamide nitrogen has been prepared and evaluated as a 5-HT1B/1D receptors agonist. In vitro experiments at 5-HT1B human cloned receptors (Ki = 0.64 nM; EC50 = 0.58 nM) and at the level of the contraction of the New Zeala... aid4255.table aid4255.tbin
4256 5 Title: N-Methyl-5-tert-butyltryptamine: A novel, highly potent 5-HT1D receptor agonist. Abstract: It has been observed that reported 5-HT1D receptor agonists have at least one heteroatom (N, O, or S) on the 5-substituent of the indole. This has led to the hypothesis that a 5-substituent capable of participating in hydrogen bonding is critical for conveying high affinity. This article describes the synthesis and biological evaluation of a new series of 5-alkyltryptamine analogues, which does not ... aid4256.table aid4256.tbin
4257 10 Title: 5-HT1B receptor antagonist properties of novel arylpiperazide derivatives of 1-naphthylpiperazine. Abstract: A new series of arylpiperazide derivatives of 1-naphthylpiperazine of general formula 4 has been prepared and evaluated as 5-HT1B antagonists. Binding experiments at cloned human 5-HT1A, 5-HT1B, and 5-HT1D receptors show that these derivatives are potent and selective ligands for 5-HT1B/1D subtypes with increased binding selectivity versus the 5-HT1A receptor when compared to 1-nap... aid4257.table aid4257.tbin
4258 10 Title: 5-Alkyltryptamine derivatives as highly selective and potent 5-HT1D receptor agonists. Abstract: A series of 5-alkyltryptamines (6) and the corresponding conformationally constrained analogues (8) have been synthesized. The structure activity relationships (SAR) at the 5-position of the indole skeleton and the ethylamine side chain have been studied. Functional activities were assessed using isolated rabbit saphenous vein. Potent, selective ligands were found (6e, Ki 2.5 nM, 5-HT1B/5-HT1D... aid4258.table aid4258.tbin
4259 14 Affinity for 5-hydroxytryptamine 1B receptor subtype aid4259.table aid4259.tbin
4260 12 Title: 5-Thienyltryptamine derivatives as serotonin 5-HT1B/1D receptor agonists: potential treatments for migraine. Abstract: A series of 5-(2- or 3-thienyl)tryptamine derivatives (9) has been synthesized and shown to be potent and selective 5-HT1D versus 5-HT1B receptor agonists and, therefore, potential treatments for migraine. aid4260.table aid4260.tbin
4261 1 Title: A novel ergot alkaloid as a 5-HT(1A) inhibitor produced by Dicyma sp. Abstract: In the course of a search for small-molecule inhibitors of 5-hydroxytryptamine receptors we have identified a novel ergoline derivative (1) from the fungal culture of Dicyma sp. This compound has a pK(i) of 10.2 versus the 5-hydroxytryptamine(1A) receptor subtype. The structure was elucidated by extensive NMR spectroscopy and mass spectrometry. aid4261.table aid4261.tbin
4262 15 Title: Novel potent 5-HT(1F) receptor agonists: structure-activity studies of a series of substituted N-[3-(1-methyl-4-piperidinyl)-1H-pyrrolo[3,2-b]pyridin-5-yl]amides. Abstract: Compound 1a (LY334370), a selective 5-HT(1F) receptor agonist (SSOFRA), inhibited dural inflammation in the neurogenic plasma protein extravasation model of migraine and demonstrated clinical efficacy for the acute treatment of migraine. Although 1a was greater than 100-fold selective over both the 5-HT(1B) and 5-HT(1D... aid4262.table aid4262.tbin
4263 2 Title: Synthesis and structure-affinity relationship investigations of 5-heteroaryl-substituted analogues of the antipsychotic sertindole. A new class of highly selective alpha(1) adrenoceptor antagonists. Abstract: A new class of 5-heteroaryl-substituted 1-(4-fluorophenyl)-3-(4-piperidinyl)-1H-indoles as highly selective and potentially CNS-active alpha 1-adrenoceptor antagonists is described. The compounds are derived from the antipsychotic sertindole. The structure-affinity relationships of t... aid4263.table aid4263.tbin
4264 2 Title: Synthesis and structure-affinity relationship investigations of 5-heteroaryl-substituted analogues of the antipsychotic sertindole. A new class of highly selective alpha(1) adrenoceptor antagonists. Abstract: A new class of 5-heteroaryl-substituted 1-(4-fluorophenyl)-3-(4-piperidinyl)-1H-indoles as highly selective and potentially CNS-active alpha 1-adrenoceptor antagonists is described. The compounds are derived from the antipsychotic sertindole. The structure-affinity relationships of t... aid4264.table aid4264.tbin
4265 1 Title: Synthesis and structure-affinity relationship investigations of 5-heteroaryl-substituted analogues of the antipsychotic sertindole. A new class of highly selective alpha(1) adrenoceptor antagonists. Abstract: A new class of 5-heteroaryl-substituted 1-(4-fluorophenyl)-3-(4-piperidinyl)-1H-indoles as highly selective and potentially CNS-active alpha 1-adrenoceptor antagonists is described. The compounds are derived from the antipsychotic sertindole. The structure-affinity relationships of t... aid4265.table aid4265.tbin
4266 3 Title: Design and synthesis of trans-N-[4-[2-(6-cyano-1,2,3, 4-tetrahydroisoquinolin-2-yl)ethyl]cyclohexyl]-4-quinolinecarboxamide (SB-277011): A potent and selective dopamine D(3) receptor antagonist with high oral bioavailability and CNS penetration in the rat. Abstract: A selective dopamine D(3) receptor antagonist offers the potential for an effective antipsychotic therapy, free of the serious side effects of currently available drugs. Using clearance and brain penetration studies as a scree... aid4266.table aid4266.tbin
4267 3 Title: Discovery of 4-[3-(trans-3-dimethylaminocyclobutyl)-1H-indol-5-ylmethyl]-(4S)-oxazolidin-2-one (4991W93), a 5HT(1B/1D) receptor partial agonist and a potent inhibitor of electrically induced plasma extravasation. Abstract: Utilizing a pharmacophoric model of binding of 3-(2-aminoethyl)indoles to 5HT(1B/1D) receptors, we identified the 3-aminocyclobutyl group as a potential ethylamine isostere. A novel multidimensional chemometric approach was used to predict the intrinsic activity (degree... aid4267.table aid4267.tbin
4268 17 Title: (R)-3-(N-methylpyrrolidin-2-ylmethyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole derivatives as high affinity h5-HT1B/1D ligands. Abstract: A series of (R)-3-(N-methylpyrrolidin-2-ylmethyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole derivatives (2) have been prepared using parallel synthesis, and their structure-activity relationship studied. High affinity human 5-HT(1B/1D) (h5-HT(1B/1D)) ligands have been identified. aid4268.table aid4268.tbin
4269 1 Title: (R)-3-(N-methylpyrrolidin-2-ylmethyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole derivatives as high affinity h5-HT1B/1D ligands. Abstract: A series of (R)-3-(N-methylpyrrolidin-2-ylmethyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole derivatives (2) have been prepared using parallel synthesis, and their structure-activity relationship studied. High affinity human 5-HT(1B/1D) (h5-HT(1B/1D)) ligands have been identified. aid4269.table aid4269.tbin
4270 23 Title: Discovery of 4-[3-(trans-3-dimethylaminocyclobutyl)-1H-indol-5-ylmethyl]-(4S)-oxazolidin-2-one (4991W93), a 5HT(1B/1D) receptor partial agonist and a potent inhibitor of electrically induced plasma extravasation. Abstract: Utilizing a pharmacophoric model of binding of 3-(2-aminoethyl)indoles to 5HT(1B/1D) receptors, we identified the 3-aminocyclobutyl group as a potential ethylamine isostere. A novel multidimensional chemometric approach was used to predict the intrinsic activity (degree... aid4270.table aid4270.tbin
4271 8 Title: Design and synthesis of trans-N-[4-[2-(6-cyano-1,2,3, 4-tetrahydroisoquinolin-2-yl)ethyl]cyclohexyl]-4-quinolinecarboxamide (SB-277011): A potent and selective dopamine D(3) receptor antagonist with high oral bioavailability and CNS penetration in the rat. Abstract: A selective dopamine D(3) receptor antagonist offers the potential for an effective antipsychotic therapy, free of the serious side effects of currently available drugs. Using clearance and brain penetration studies as a scree... aid4271.table aid4271.tbin
4272 1 Title: Design and synthesis of trans-N-[4-[2-(6-cyano-1,2,3, 4-tetrahydroisoquinolin-2-yl)ethyl]cyclohexyl]-4-quinolinecarboxamide (SB-277011): A potent and selective dopamine D(3) receptor antagonist with high oral bioavailability and CNS penetration in the rat. Abstract: A selective dopamine D(3) receptor antagonist offers the potential for an effective antipsychotic therapy, free of the serious side effects of currently available drugs. Using clearance and brain penetration studies as a scree... aid4272.table aid4272.tbin
4273 9 Title: Novel (4-piperazin-1-ylquinolin-6-yl) arylsulfonamides with high affinity and selectivity for the 5-HT(6) receptor. Abstract: The discovery of (4-piperazin-1-ylquinolin-6-yl) arylsulfonamides and their binding affinities for a selection of 5-HT and dopamine subreceptors is described. Many compounds show high affinity (pK(i)&gt;8) for the 5-HT(6) receptor and &gt;100-fold selectivity against a range of other receptors. Structure-activity relationships of these compounds are discussed. aid4273.table aid4273.tbin
4274 1 Title: Identification of a novel series of selective 5-HT7 receptor antagonists. Abstract: Novel 5-HT(7) receptor antagonists containing the benzocycloheptanone core were identified from high throughput screening. Molecular modelling and SAR studies have converted these intractable hits into a more potent, selective and tractable series, exemplified by compound (25), SB-691673. aid4274.table aid4274.tbin
4275 2 Title: A novel ergot alkaloid as a 5-HT(1A) inhibitor produced by Dicyma sp. Abstract: In the course of a search for small-molecule inhibitors of 5-hydroxytryptamine receptors we have identified a novel ergoline derivative (1) from the fungal culture of Dicyma sp. This compound has a pK(i) of 10.2 versus the 5-hydroxytryptamine(1A) receptor subtype. The structure was elucidated by extensive NMR spectroscopy and mass spectrometry. aid4275.table aid4275.tbin
4276 1 Title: A novel ergot alkaloid as a 5-HT(1A) inhibitor produced by Dicyma sp. Abstract: In the course of a search for small-molecule inhibitors of 5-hydroxytryptamine receptors we have identified a novel ergoline derivative (1) from the fungal culture of Dicyma sp. This compound has a pK(i) of 10.2 versus the 5-hydroxytryptamine(1A) receptor subtype. The structure was elucidated by extensive NMR spectroscopy and mass spectrometry. aid4276.table aid4276.tbin
4277 1 Title: A novel ergot alkaloid as a 5-HT(1A) inhibitor produced by Dicyma sp. Abstract: In the course of a search for small-molecule inhibitors of 5-hydroxytryptamine receptors we have identified a novel ergoline derivative (1) from the fungal culture of Dicyma sp. This compound has a pK(i) of 10.2 versus the 5-hydroxytryptamine(1A) receptor subtype. The structure was elucidated by extensive NMR spectroscopy and mass spectrometry. aid4277.table aid4277.tbin
4278 1 Title: A novel, potent, and selective 5-HT(7) antagonist: (R)-3-(2-(2-(4-methylpiperidin-1-yl)ethyl)pyrrolidine-1-sulfonyl) phen ol (SB-269970). aid4278.table aid4278.tbin
4279 6 Title: A novel, potent, and selective 5-HT(7) antagonist: (R)-3-(2-(2-(4-methylpiperidin-1-yl)ethyl)pyrrolidine-1-sulfonyl) phen ol (SB-269970). aid4279.table aid4279.tbin
4280 3 Title: A novel, potent, and selective 5-HT(7) antagonist: (R)-3-(2-(2-(4-methylpiperidin-1-yl)ethyl)pyrrolidine-1-sulfonyl) phen ol (SB-269970). aid4280.table aid4280.tbin
4281 4 Title: Phenyl benzenesulfonamides are novel and selective 5-HT6 antagonists: identification of N-(2,5-dibromo-3-fluorophenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide (SB-357134). Abstract: Substituted N-phenyl-4-methoxy-3-piperazin-1-ylbenzenesulfonamides and conformationally restricted analogues have been identified as high affinity and selective 5-HT6 antagonists. Compounds from this series had a range of pharmacokinetic profiles in rat and in general there was a correlation between clear... aid4281.table aid4281.tbin
4282 12 Title: The selective 5-HT1B receptor inverse agonist 1'-methyl-5-[[2'-methyl-4'-(5-methyl-1,2, 4-oxadiazol-3-yl)biphenyl-4-yl]carbonyl]-2,3,6,7-tetrahydro- spiro[furo[2,3-f]indole-3,4'-piperidine] (SB-224289) potently blocks terminal 5-HT autoreceptor function both in vitro and in vivo. Abstract: 5-HT1 receptors are members of the G-protein-coupled receptor superfamily and are negatively linked to adenylyl cyclase activity. The human 5-HT1B and 5-HT1D receptors (previously known as 5-HT1Dbeta an... aid4282.table aid4282.tbin
4283 3 Title: 5-Chloro-N-(4-methoxy-3-piperazin-1-yl- phenyl)-3-methyl-2-benzothiophenesulfon- amide (SB-271046): a potent, selective, and orally bioavailable 5-HT6 receptor antagonist. aid4283.table aid4283.tbin
4284 1 Title: SB-656104-A: a novel 5-HT(7) receptor antagonist with improved in vivo properties. Abstract: A focused SAR study around the previously reported selective 5-HT(7) receptor antagonist, SB-269970-A has resulted in the identification of a structurally related analogue having an improved pharmacokinetic profile. Replacement of the phenolic group in SB-269970-A with an indole moiety, and replacement of the piperidinyl 4-methyl group with a heterocyclic ring system proved to be the key changes l... aid4284.table aid4284.tbin
4285 1 Title: (R)-3,N-dimethyl-N-[1-methyl-3-(4-methyl-piperidin-1-yl) propyl]benzenesulfonamide: the first selective 5-HT7 receptor antagonist. aid4285.table aid4285.tbin
4286 5 Title: Bicyclic piperazinylbenzenesulphonamides are potent and selective 5-HT6 receptor antagonists. Abstract: The synthesis of novel 3-(octahydropyrido[1,2-a]pyrazin-2-yl)- and 3-(hexahydropyrrolo[1,2-a]pyrazin-2-yl)phenyl-2-benzo[b]thiophene sulphonamide derivatives 3, (S)-4 and (R)-4 is described. The compounds show high affinity for the 5-HT6 receptor, excellent selectivity against a range of other receptors and good brain penetration. aid4286.table aid4286.tbin
4287 6 Title: Benzylimidazolines as h5-HT1B/1D serotonin receptor ligands: a structure-affinity investigation. Abstract: Benzylimidazolines may represent a class of 5-HT1D ligands that has yet to be exploited. On the basis of a previous report that the 2-(substituted-benzyl)imidazoline alpha-adrenergic agonist oxymetazoline (8) binds with high affinity at calf brain 5-HT1D receptors, we explored the structure-affinity relationships of a series of related derivatives. Each of the aromatic substituents w... aid4287.table aid4287.tbin
4288 6 Title: Benzylimidazolines as h5-HT1B/1D serotonin receptor ligands: a structure-affinity investigation. Abstract: Benzylimidazolines may represent a class of 5-HT1D ligands that has yet to be exploited. On the basis of a previous report that the 2-(substituted-benzyl)imidazoline alpha-adrenergic agonist oxymetazoline (8) binds with high affinity at calf brain 5-HT1D receptors, we explored the structure-affinity relationships of a series of related derivatives. Each of the aromatic substituents w... aid4288.table aid4288.tbin
4289 7 Title: The selective 5-HT1B receptor inverse agonist 1'-methyl-5-[[2'-methyl-4'-(5-methyl-1,2, 4-oxadiazol-3-yl)biphenyl-4-yl]carbonyl]-2,3,6,7-tetrahydro- spiro[furo[2,3-f]indole-3,4'-piperidine] (SB-224289) potently blocks terminal 5-HT autoreceptor function both in vitro and in vivo. Abstract: 5-HT1 receptors are members of the G-protein-coupled receptor superfamily and are negatively linked to adenylyl cyclase activity. The human 5-HT1B and 5-HT1D receptors (previously known as 5-HT1Dbeta an... aid4289.table aid4289.tbin
4290 2 Title: The selective 5-HT1B receptor inverse agonist 1'-methyl-5-[[2'-methyl-4'-(5-methyl-1,2, 4-oxadiazol-3-yl)biphenyl-4-yl]carbonyl]-2,3,6,7-tetrahydro- spiro[furo[2,3-f]indole-3,4'-piperidine] (SB-224289) potently blocks terminal 5-HT autoreceptor function both in vitro and in vivo. Abstract: 5-HT1 receptors are members of the G-protein-coupled receptor superfamily and are negatively linked to adenylyl cyclase activity. The human 5-HT1B and 5-HT1D receptors (previously known as 5-HT1Dbeta an... aid4290.table aid4290.tbin
4291 1 Title: 3-[3-(Piperidin-1-yl)propyl]indoles as highly selective h5-HT(1D) receptor agonists. Abstract: Several 5-HT(1D/1B) receptor agonists are now entering the marketplace as treatments for migraine. This paper describes the development of selective h5-HT(1D) receptor agonists as potential antimigraine agents which may produce fewer side effects. A series of 3-[3-(piperidin-1-yl)propyl]indoles has been synthesized which has led to the identification of 80 (L-772,405), a high-affinity h5-HT(1D) ... aid4291.table aid4291.tbin
4292 1 Title: 3-[3-(Piperidin-1-yl)propyl]indoles as highly selective h5-HT(1D) receptor agonists. Abstract: Several 5-HT(1D/1B) receptor agonists are now entering the marketplace as treatments for migraine. This paper describes the development of selective h5-HT(1D) receptor agonists as potential antimigraine agents which may produce fewer side effects. A series of 3-[3-(piperidin-1-yl)propyl]indoles has been synthesized which has led to the identification of 80 (L-772,405), a high-affinity h5-HT(1D) ... aid4292.table aid4292.tbin
4293 1 Title: N-Substituted (2,3-dihydro-1,4-benzodioxin-2-yl)methylamine derivatives as D(2) antagonists/5-HT(1A) partial agonists with potential as atypical antipsychotic agents. Abstract: A series of N-substituted 1-(2,3-dihydro-1, 4-benzodioxin-2-yl)methylamine derivatives with D(2) antagonist/5-HT(1A) partial agonist activity has been prepared as potential atypical antipsychotic agents. Optimization of in vitro receptor binding activity and in vivo activity in rodent models of psychosis has led to... aid4293.table aid4293.tbin
4294 3 Title: Dimerization of sumatriptan as an efficient way to design a potent, centrally and orally active 5-HT1B agonist. Abstract: A new bivalent ligand of formula 3 which results from the covalent coupling of two sumatriptan molecules with a p-xylyl spacer at the level of the sulfonamide nitrogen has been prepared and evaluated as a 5-HT1B/1D receptors agonist. In vitro experiments at 5-HT1B human cloned receptors (Ki = 0.64 nM; EC50 = 0.58 nM) and at the level of the contraction of the New Zeala... aid4294.table aid4294.tbin
4295 1 Title: Synthesis and serotonergic activity of substituted 2, N-benzylcarboxamido-5-(2-ethyl-1-dioxoimidazolidinyl)-N, N-dimethyltryptamine derivatives: novel antagonists for the vascular 5-HT(1B)-like receptor. Abstract: The synthesis and vascular 5-HT(1B)-like receptor activity of a novel series of substituted 2, N-benzylcarboxamido-5-(2-ethyl-1-dioxoimidazolidinyl)-N, N-dimethyltryptamine derivatives are described. Modifications to the 5-ethylene-linked heterocycle and to substituents on the 2... aid4295.table aid4295.tbin
4296 45 Title: Synthesis and serotonergic activity of substituted 2, N-benzylcarboxamido-5-(2-ethyl-1-dioxoimidazolidinyl)-N, N-dimethyltryptamine derivatives: novel antagonists for the vascular 5-HT(1B)-like receptor. Abstract: The synthesis and vascular 5-HT(1B)-like receptor activity of a novel series of substituted 2, N-benzylcarboxamido-5-(2-ethyl-1-dioxoimidazolidinyl)-N, N-dimethyltryptamine derivatives are described. Modifications to the 5-ethylene-linked heterocycle and to substituents on the 2... aid4296.table aid4296.tbin
4297 1 Title: Synthesis and serotonergic activity of substituted 2, N-benzylcarboxamido-5-(2-ethyl-1-dioxoimidazolidinyl)-N, N-dimethyltryptamine derivatives: novel antagonists for the vascular 5-HT(1B)-like receptor. Abstract: The synthesis and vascular 5-HT(1B)-like receptor activity of a novel series of substituted 2, N-benzylcarboxamido-5-(2-ethyl-1-dioxoimidazolidinyl)-N, N-dimethyltryptamine derivatives are described. Modifications to the 5-ethylene-linked heterocycle and to substituents on the 2... aid4297.table aid4297.tbin
4298 35 Title: Novel and selective partial agonists of 5-HT3 receptors. 2. Synthesis and biological evaluation of piperazinopyridopyrrolopyrazines, piperazinopyrroloquinoxalines, and piperazinopyridopyrroloquinoxalines. Abstract: In continuation of our previous work on piperazinopyrrolothienopyrazine derivatives, three series of piperazinopyridopyrrolopyrazines, piperazinopyrroloquinoxalines, and piperazinopyridopyrroloquinoxalines were prepared and evaluated as 5-HT3 receptor ligands. The chemical modi... aid4298.table aid4298.tbin
4299 46 Title: Novel selective and partial agonists of 5-HT3 receptors. Part 1. Synthesis and biological evaluation of piperazinopyrrolothienopyrazines. Abstract: A series of piperazinopyrrolo[1,2-a]thieno[3,2-e]- and -[2,3-e]pyrazine derivatives were prepared and evaluated in order to determine the necessary requirements for high affinity on the 5-HT3 receptors and high selectivity versus other 5-HT receptor subtypes. Various substitutions on the piperazine and the thiophene ring of the pyrrolothienopy... aid4299.table aid4299.tbin
4300 10 Title: Synthesis and binding studies of some epibatidine analogues. Abstract: A series of epibatidine analogues and their positional isomers bearing an 8-azabicyclo[3.2.1]octane moiety is described. Some of the compounds, especially those containing 8-azabicyclo[3.2.1]oct-2-ene moiety show high affinity for the nicotinic cholinergic receptor. aid4300.table aid4300.tbin
4301 16 Title: 2H-[1]benzopyrano[3,4-b]pyridines: synthesis and activity at central monoamine receptors. Abstract: Two general synthetic approaches to a novel series of 2H-[1]benzopyrano[3,4-b]pyridines are described together with their receptor binding profile at a variety of monoamine receptors in mammalian brain tissue. The biologically active members of this series fall into into one of two broad classes: 3,4,4a,5-tetrahydro-2H-[1]benzopyrano[3,4-b]pyridines or trans-1,3,4,4a,5,10b-hexahydro-2H-[1]b... aid4301.table aid4301.tbin
4302 1 Title: trans-2-Aryl-N,N-dipropylcyclopropylamines: synthesis and interactions with 5-HT(1A) receptors. Abstract: Twelve N,N-dipropyl-substituted derivatives of trans-2-arylcyclopropylamine have been prepared and assayed for their ability to displace [(3)H]-8-OH-DPAT from rat brain 5-HT(1A) receptors. The new derivatives include phenyl (7a), bromo- (7b) and fluorophenyl (7c-e), 2-methoxy-5-fluorophenyl (7h), and 2-hydroxy-5-fluorophenyl (7l) as well as trifluoromethylphenyl (7f) and 2,3-dichlorop... aid4302.table aid4302.tbin
4303 1 Title: trans-2-Aryl-N,N-dipropylcyclopropylamines: synthesis and interactions with 5-HT(1A) receptors. Abstract: Twelve N,N-dipropyl-substituted derivatives of trans-2-arylcyclopropylamine have been prepared and assayed for their ability to displace [(3)H]-8-OH-DPAT from rat brain 5-HT(1A) receptors. The new derivatives include phenyl (7a), bromo- (7b) and fluorophenyl (7c-e), 2-methoxy-5-fluorophenyl (7h), and 2-hydroxy-5-fluorophenyl (7l) as well as trifluoromethylphenyl (7f) and 2,3-dichlorop... aid4303.table aid4303.tbin
4304 1 Title: trans-2-Aryl-N,N-dipropylcyclopropylamines: synthesis and interactions with 5-HT(1A) receptors. Abstract: Twelve N,N-dipropyl-substituted derivatives of trans-2-arylcyclopropylamine have been prepared and assayed for their ability to displace [(3)H]-8-OH-DPAT from rat brain 5-HT(1A) receptors. The new derivatives include phenyl (7a), bromo- (7b) and fluorophenyl (7c-e), 2-methoxy-5-fluorophenyl (7h), and 2-hydroxy-5-fluorophenyl (7l) as well as trifluoromethylphenyl (7f) and 2,3-dichlorop... aid4304.table aid4304.tbin
4305 1 Title: trans-2-Aryl-N,N-dipropylcyclopropylamines: synthesis and interactions with 5-HT(1A) receptors. Abstract: Twelve N,N-dipropyl-substituted derivatives of trans-2-arylcyclopropylamine have been prepared and assayed for their ability to displace [(3)H]-8-OH-DPAT from rat brain 5-HT(1A) receptors. The new derivatives include phenyl (7a), bromo- (7b) and fluorophenyl (7c-e), 2-methoxy-5-fluorophenyl (7h), and 2-hydroxy-5-fluorophenyl (7l) as well as trifluoromethylphenyl (7f) and 2,3-dichlorop... aid4305.table aid4305.tbin
4306 1 Title: trans-2-Aryl-N,N-dipropylcyclopropylamines: synthesis and interactions with 5-HT(1A) receptors. Abstract: Twelve N,N-dipropyl-substituted derivatives of trans-2-arylcyclopropylamine have been prepared and assayed for their ability to displace [(3)H]-8-OH-DPAT from rat brain 5-HT(1A) receptors. The new derivatives include phenyl (7a), bromo- (7b) and fluorophenyl (7c-e), 2-methoxy-5-fluorophenyl (7h), and 2-hydroxy-5-fluorophenyl (7l) as well as trifluoromethylphenyl (7f) and 2,3-dichlorop... aid4306.table aid4306.tbin
4307 1 Title: trans-2-Aryl-N,N-dipropylcyclopropylamines: synthesis and interactions with 5-HT(1A) receptors. Abstract: Twelve N,N-dipropyl-substituted derivatives of trans-2-arylcyclopropylamine have been prepared and assayed for their ability to displace [(3)H]-8-OH-DPAT from rat brain 5-HT(1A) receptors. The new derivatives include phenyl (7a), bromo- (7b) and fluorophenyl (7c-e), 2-methoxy-5-fluorophenyl (7h), and 2-hydroxy-5-fluorophenyl (7l) as well as trifluoromethylphenyl (7f) and 2,3-dichlorop... aid4307.table aid4307.tbin
4308 2 Title: Serotonergic and dopaminergic activities of rigidified (R)-aporphine derivatives. Abstract: Novel rigidified (R)-aporphine derivatives were synthesized from (R)-1,11-carbonylaporphine by ring expansion reactions. The structures of the novel analogues were assigned by NMR spectroscopy and X-ray crystallography. The compounds showed moderate affinities and selectivities at serotonin S-HT1A and 5-HT7 and dopamine D2A receptors. aid4308.table aid4308.tbin
4309 43 Title: Synthesis and structure-activity relationships of a new model of arylpiperazines. 4. 1-[omega-(4-Arylpiperazin-1-yl)alkyl]-3-(diphenylmethylene) - 2, 5-pyrrolidinediones and -3-(9H-fluoren-9-ylidene)-2, 5-pyrrolidinediones: study of the steric requirements of the terminal amide fragment on 5-HT1A affinity/selectivity. Abstract: In the present paper, we report the synthesis and the binding profile on 5-HT1A, alpha1 and D2 receptors of a new series of 1-[omega-(4-arylpiperazin-1-yl)alkyl]-3... aid4309.table aid4309.tbin
4310 1 Title: Derivatives of 4-(2'-methoxyphenyl)-1-[2'-(N-2&quot;-pyridinyl-p-iodobenzamido)ethyl]pipera zine (p-MPPI) as 5-HT1A ligands. Abstract: A series of new p-alkylbenzamido derivatives of 4-(2'-methoxyphenyl)-1-[2'-(N-2&quot;-pyridinyl)-p- iodobenzamido)ethyl]piperazines (p-MPPI) were prepared. In vitro binding studies suggest that p-methyl and p-ethyl substituents on the benzamido group display the same high binding affinity to 5-HT1A receptors (Ki = 2.2 and 9.3 nM, rat hippocampal homogenate... aid4310.table aid4310.tbin
4311 17 Title: Derivatives of 4-(2'-methoxyphenyl)-1-[2'-(N-2&quot;-pyridinyl-p-iodobenzamido)ethyl]pipera zine (p-MPPI) as 5-HT1A ligands. Abstract: A series of new p-alkylbenzamido derivatives of 4-(2'-methoxyphenyl)-1-[2'-(N-2&quot;-pyridinyl)-p- iodobenzamido)ethyl]piperazines (p-MPPI) were prepared. In vitro binding studies suggest that p-methyl and p-ethyl substituents on the benzamido group display the same high binding affinity to 5-HT1A receptors (Ki = 2.2 and 9.3 nM, rat hippocampal homogenate... aid4311.table aid4311.tbin
4312 54 Title: New generation dopaminergic agents. 1. Discovery of a novel scaffold which embraces the D2 agonist pharmacophore. Structure-activity relationships of a series of 2-(aminomethyl)chromans. Abstract: A series of 2-(aminomethyl)chromans (2-AMCs) was synthesized and evaluated for their affinity and selectivity for both the high- and low-affinity agonist states (D2High and D2Low, respectively) of the dopamine (DA) D2 receptor. The 7-hydroxy-2-(aminomethyl)chroman moiety was observed to be the p... aid4312.table aid4312.tbin
4313 1 Title: New generation dopaminergic agents. 6. Structure-activity relationship studies of a series of 4-(aminoethoxy)indole and 4-(aminoethoxy)indolone derivatives based on the newly discovered 3-hydroxyphenoxyethylamine D2 template. Abstract: A series of 4-(aminoethoxy)indoles 7 and a related series of 4-(aminoethoxy)indolones 8 were synthesized and evaluated for their affinity for both the high- and low-affinity agonist states (D2High and D2Low, respectively) of the dopamine (DA) D2 receptor. T... aid4313.table aid4313.tbin
4314 41 Title: New generation dopaminergic agents. 6. Structure-activity relationship studies of a series of 4-(aminoethoxy)indole and 4-(aminoethoxy)indolone derivatives based on the newly discovered 3-hydroxyphenoxyethylamine D2 template. Abstract: A series of 4-(aminoethoxy)indoles 7 and a related series of 4-(aminoethoxy)indolones 8 were synthesized and evaluated for their affinity for both the high- and low-affinity agonist states (D2High and D2Low, respectively) of the dopamine (DA) D2 receptor. T... aid4314.table aid4314.tbin
4315 1 Title: New generation dopaminergic agents. 6. Structure-activity relationship studies of a series of 4-(aminoethoxy)indole and 4-(aminoethoxy)indolone derivatives based on the newly discovered 3-hydroxyphenoxyethylamine D2 template. Abstract: A series of 4-(aminoethoxy)indoles 7 and a related series of 4-(aminoethoxy)indolones 8 were synthesized and evaluated for their affinity for both the high- and low-affinity agonist states (D2High and D2Low, respectively) of the dopamine (DA) D2 receptor. T... aid4315.table aid4315.tbin
4316 7 Title: New generation dopaminergic agents. 6. Structure-activity relationship studies of a series of 4-(aminoethoxy)indole and 4-(aminoethoxy)indolone derivatives based on the newly discovered 3-hydroxyphenoxyethylamine D2 template. Abstract: A series of 4-(aminoethoxy)indoles 7 and a related series of 4-(aminoethoxy)indolones 8 were synthesized and evaluated for their affinity for both the high- and low-affinity agonist states (D2High and D2Low, respectively) of the dopamine (DA) D2 receptor. T... aid4316.table aid4316.tbin
4317 1 Title: New generation dopaminergic agents. 6. Structure-activity relationship studies of a series of 4-(aminoethoxy)indole and 4-(aminoethoxy)indolone derivatives based on the newly discovered 3-hydroxyphenoxyethylamine D2 template. Abstract: A series of 4-(aminoethoxy)indoles 7 and a related series of 4-(aminoethoxy)indolones 8 were synthesized and evaluated for their affinity for both the high- and low-affinity agonist states (D2High and D2Low, respectively) of the dopamine (DA) D2 receptor. T... aid4317.table aid4317.tbin
4318 35 Title: Synthesis and structure-activity relationships of a new model of arylpiperazines. Study of the 5-HT(1a)/alpha(1)-adrenergic receptor affinity by classical hansch analysis, artificial neural networks, and computational simulation of ligand recognition. Abstract: A classical quantitative structure-activity relationship (Hansch) study and artificial neural networks (ANNs) have been applied to a training set of 32 substituted phenylpiperazines with affinity for 5-HT(1A) and alpha(1)-adrenergi... aid4318.table aid4318.tbin
4319 2 Title: Synthesis of new (benzimidazolyl)piperazines with affinity for the 5-HT1A receptor via Pd(0) amination of bromobenzimidazoles. Abstract: The synthesis of a new family of (benzimidazolyl)piperazines has been developed through Pd(0) mediated amination of 4- and 6-bromobenzimidazole derivatives. Preliminary studies showed that some of these compounds are potent 5-HT1A receptor ligands. aid4319.table aid4319.tbin
4320 2 Title: Synthesis of new (benzimidazolyl)piperazines with affinity for the 5-HT1A receptor via Pd(0) amination of bromobenzimidazoles. Abstract: The synthesis of a new family of (benzimidazolyl)piperazines has been developed through Pd(0) mediated amination of 4- and 6-bromobenzimidazole derivatives. Preliminary studies showed that some of these compounds are potent 5-HT1A receptor ligands. aid4320.table aid4320.tbin
4321 33 Title: Synthesis and structure-activity relationships of a new model of arylpiperazines. 5. Study of the physicochemical influence of the pharmacophore on 5-HT(1a)/alpha(1)-adrenergic receptor affinity: synthesis of a new derivative with mixed 5-HT(1a)/d(2) antagonist properties. Abstract: In this paper we have designed and synthesized a test series of 32 amide arylpiperazine derivatives VI in order to gain insight into the physicochemical influence of the pharmacophores of 5-HT(1A) and alpha(1)... aid4321.table aid4321.tbin
4322 33 Title: Polycyclic aryl- and heteroarylpiperazinyl imides as 5-HT1A receptor ligands and potential anxiolytic agents: synthesis and structure-activity relationship studies. Abstract: A series of polycyclic aryl- and heteroarylpiperazinyl imides were prepared and tested in various receptor-binding and behavioral tests. Parameters measured included in vitro inhibition of D2 and 5-HT1A receptor binding, inhibition of apomorphine (APO) induced stereotyped and climbing behavior, and activity in blocki... aid4322.table aid4322.tbin
4323 1 Title: Polycyclic aryl- and heteroarylpiperazinyl imides as 5-HT1A receptor ligands and potential anxiolytic agents: synthesis and structure-activity relationship studies. Abstract: A series of polycyclic aryl- and heteroarylpiperazinyl imides were prepared and tested in various receptor-binding and behavioral tests. Parameters measured included in vitro inhibition of D2 and 5-HT1A receptor binding, inhibition of apomorphine (APO) induced stereotyped and climbing behavior, and activity in blocki... aid4323.table aid4323.tbin
4324 11 Title: N-[2-[(substituted chroman-8-yl)oxy]ethyl]-4-(4-methoxyphenyl)butylamines: synthesis and wide range of antagonism at the human 5-HT1A receptor. Abstract: A series of N-[2-[(substituted chroman-8-yl)oxy]ethyl]-4-(4-methoxyphenyl)butylamines was prepared and examined for their 5-HT1A receptor antagonist activity. The parent compound 3a and seven analogs bearing five kinds of substituents on the chroman ring were prepared from the corresponding 8-hydroxychroman intermediates. Radioligand bin... aid4324.table aid4324.tbin
4325 1 Title: Effect of ring fluorination on the pharmacology of hallucinogenic tryptamines. Abstract: A series of fluorinated analogues of the hallucinogenic tryptamines N,N-diethyltryptamine (DET), 4-hydroxy-N,N-dimethyltryptamine (4-OH-DMT, psilocin), and 5-methoxy-DMT was synthesized to investigate possible explanations for the inactivity of 6-fluoro-DET as a hallucinogen and to determine the effects of fluorination on the molecular recognition and activation of these compounds at serotonin recepto... aid4325.table aid4325.tbin
4326 8 Title: Synthesis and evaluation of 4-(2'-methoxyphenyl)-1-[2'-[N-(2&quot;-pyridinyl)-p- iodobenzamido]ethyl]piperazine (p-MPPI): a new iodinated 5-HT1A ligand. aid4326.table aid4326.tbin
4327 13 Title: New sigma and 5-HT1A receptor ligands: omega-(tetralin-1-yl)-n-alkylamine derivatives. Abstract: Two series of compounds that are structurally related to benzomorphans, derived by structural modification of arylpiperazines with high 5-HT1A affinity and moderate sigma affinity, were prepared in order to increase sigma affinity and selectivity. All new compounds are N-substituted-omega-(1,2,3,4-tetrahydronaphthalen-1-yl)- or -omega-(1,2-dihydronaphthalen-4-yl)-n-alkylamines with, in some ca... aid4327.table aid4327.tbin
4328 1 Title: Synthesis and biochemical evaluation of tritium-labeled 1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]oct-3-yl)-1H-indazole-3-carboxa mide, a useful radioligand for 5HT3 receptors. Abstract: The advent of potent, highly selective 5HT3 receptor antagonists has stimulated considerable interest in 5HT3 receptor mediated physiology and pharmacology. To permit detailed biochemical studies regarding interaction of the indazole class of serotonin (5HT) antagonists with 5HT3 receptors in multiple tissu... aid4328.table aid4328.tbin
4329 1 Title: Synthesis and SAR of adatanserin: novel adamantyl aryl- and heteroarylpiperazines with dual serotonin 5-HT(1A) and 5-HT(2) activity as potential anxiolytic and antidepressant agents. Abstract: Several novel functionalized adamantyl aryl- and heteroarylpiperazine derivatives were prepared and examined in various receptor binding and behavioral tests to determine their serotonin receptor activities. Many compounds demonstrated modest to high affinity for 5-HT(1A) receptors, with compounds 9... aid4329.table aid4329.tbin
4330 19 Title: Design and synthesis of propranolol analogues as serotonergic agents. Abstract: Serotonin (5-HT) binds with nearly identical affinity at the various central 5-HT binding sites. Few agents bind with selectivity for 5-HT1A sites. The beta-adrenergic antagonist propranolol binds stereoselectively both at 5-HT1A and 5-HT1B sites (with a several-fold selectivity for the latter) and, whereas it is a 5-HT1A antagonist, it appears to be a 5-HT1B agonist. As such, it could serve as a lead compound... aid4330.table aid4330.tbin
4331 45 Title: Synthesis and SAR of adatanserin: novel adamantyl aryl- and heteroarylpiperazines with dual serotonin 5-HT(1A) and 5-HT(2) activity as potential anxiolytic and antidepressant agents. Abstract: Several novel functionalized adamantyl aryl- and heteroarylpiperazine derivatives were prepared and examined in various receptor binding and behavioral tests to determine their serotonin receptor activities. Many compounds demonstrated modest to high affinity for 5-HT(1A) receptors, with compounds 9... aid4331.table aid4331.tbin
4332 5 Title: Buspirone analogues as ligands of the 5-HT1A receptor. 1. The molecular structure of buspirone and its two analogues. Abstract: An interdisciplinary (X-ray, 1H and 13C NMR, IR, and theoretical quantum mechanical) study on the potent 5-HT1A receptor ligand buspirone (1) and its two structural analogues, mesmar (4,4-dimethyl-1-[4-[4-(2-quinolinyl)-1-piperazinyl]butyl]-2,6- piperidinedione) (2) and kaspar (8-[4-[4-(2-quinolinyl)-1-piperazinyl]butyl]-8-azaspiro[4.5]decane - 7,9-dione) (3), ha... aid4332.table aid4332.tbin
4333 10 Displacement of [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor of rat brain hippocampus aid4333.table aid4333.tbin
4334 37 Title: N-aryl-N'-benzylpiperazines as potential antipsychotic agents. Abstract: N1-(2-Alkoxyphenyl)piperazines additionally containing an N4-benzyl group bearing alcohol, amide, imide, or hydantoin functionalities were prepared and evaluated in the conditioned avoidance response (CAR) test predictive of clinical antipsychotic activity and in in vitro receptor-binding assays. Certain of the compounds display high affinity for the D2, 5-HT1A, and alpha 1-adrenergic receptors. Structures bearing ac... aid4334.table aid4334.tbin
4335 3 Title: Substituted (S)-phenylpiperidines and rigid congeners as preferential dopamine autoreceptor antagonists: synthesis and structure-activity relationships. Abstract: A series of (S)-phenylpiperidines in which the substituents on the aromatic ring and nitrogen have been varied has been prepared. They have been evaluated pharmacologically to explore the importance of these substituents for the interaction with central dopamine (DA) receptors. On the basis of biochemical and behavioral data in ... aid4335.table aid4335.tbin
4336 48 Title: Substituted (S)-phenylpiperidines and rigid congeners as preferential dopamine autoreceptor antagonists: synthesis and structure-activity relationships. Abstract: A series of (S)-phenylpiperidines in which the substituents on the aromatic ring and nitrogen have been varied has been prepared. They have been evaluated pharmacologically to explore the importance of these substituents for the interaction with central dopamine (DA) receptors. On the basis of biochemical and behavioral data in ... aid4336.table aid4336.tbin
4337 1 Title: Substituted (S)-phenylpiperidines and rigid congeners as preferential dopamine autoreceptor antagonists: synthesis and structure-activity relationships. Abstract: A series of (S)-phenylpiperidines in which the substituents on the aromatic ring and nitrogen have been varied has been prepared. They have been evaluated pharmacologically to explore the importance of these substituents for the interaction with central dopamine (DA) receptors. On the basis of biochemical and behavioral data in ... aid4337.table aid4337.tbin
4338 23 Title: Antagonism of 1-(2,5-dimethoxy-4-methylphenyl)-2-aminopropane stimulus with a newly identified 5-HT2- versus 5-HT1C-selective antagonist. Abstract: DOM [i.e., 1-(2,5-dimethoxy-4-methylphenyl)-2-aminopropane] is a 5-HT1C/2 serotonin agonist that exerts stimulus control of behavior in animals. In order to determine if the discriminative stimulus effect of DOM is 5-HT1C- or 5-HT2-mediated, it would be informative to conduct tests of stimulus antagonism with a 5-HT1C- or 5-HT2-selective antag... aid4338.table aid4338.tbin
4339 3 Title: Antagonism of 1-(2,5-dimethoxy-4-methylphenyl)-2-aminopropane stimulus with a newly identified 5-HT2- versus 5-HT1C-selective antagonist. Abstract: DOM [i.e., 1-(2,5-dimethoxy-4-methylphenyl)-2-aminopropane] is a 5-HT1C/2 serotonin agonist that exerts stimulus control of behavior in animals. In order to determine if the discriminative stimulus effect of DOM is 5-HT1C- or 5-HT2-mediated, it would be informative to conduct tests of stimulus antagonism with a 5-HT1C- or 5-HT2-selective antag... aid4339.table aid4339.tbin
4340 11 Displacement of [3H]8-OH-DPAT from rat hippocampal 5-hydroxytryptamine 1A receptor aid4340.table aid4340.tbin
4341 3 Title: Synthesis and pharmacological evaluation of thiopyran analogues of the dopamine D3 receptor-selective agonist (4aR,10bR)-(+)-trans-3,4,4a,10b-tetrahydro-4-n-propyl-2H,5H [1]b enzopyrano[4,3-b]-1,4-oxazin-9-ol (PD 128907). Abstract: Benzopyranoxazine (+)-7 (PD 128907) is the most dopamine (DA) D3 receptor-selective agonist presently known. The only structural feature which distinguishes 7 from the analogous nonselective naphthoxazines is an oxygen atom in the 6-position. To extend this ser... aid4341.table aid4341.tbin
4342 2 Title: Synthesis and pharmacological evaluation of thiopyran analogues of the dopamine D3 receptor-selective agonist (4aR,10bR)-(+)-trans-3,4,4a,10b-tetrahydro-4-n-propyl-2H,5H [1]b enzopyrano[4,3-b]-1,4-oxazin-9-ol (PD 128907). Abstract: Benzopyranoxazine (+)-7 (PD 128907) is the most dopamine (DA) D3 receptor-selective agonist presently known. The only structural feature which distinguishes 7 from the analogous nonselective naphthoxazines is an oxygen atom in the 6-position. To extend this ser... aid4342.table aid4342.tbin
4343 1 Title: Synthesis and pharmacological evaluation of thiopyran analogues of the dopamine D3 receptor-selective agonist (4aR,10bR)-(+)-trans-3,4,4a,10b-tetrahydro-4-n-propyl-2H,5H [1]b enzopyrano[4,3-b]-1,4-oxazin-9-ol (PD 128907). Abstract: Benzopyranoxazine (+)-7 (PD 128907) is the most dopamine (DA) D3 receptor-selective agonist presently known. The only structural feature which distinguishes 7 from the analogous nonselective naphthoxazines is an oxygen atom in the 6-position. To extend this ser... aid4343.table aid4343.tbin
4344 43 Title: Structure-affinity relationship studies on 5-HT1A receptor ligands. 2. Heterobicyclic phenylpiperazines with N4-aralkyl substituents. Abstract: Structure-affinity relationship (SAR) studies for the 5-HT1A receptor site are presented for two series of heterobicyclic phenylpiperazines with N4-aralkyl substituents: 4-aralkyl derivatives of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine (3) and 1-(benzo[b]furan-7-yl)piperazine (4). Their affinities for 5-HT1A receptors range from 0.15 to 28 n... aid4344.table aid4344.tbin
4345 29 Binding affinity to 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT radioligand assay. aid4345.table aid4345.tbin
4346 2 Title: 1-(2,5-Dimethoxy-4-(trifluoromethyl)phenyl)-2-aminopropane: a potent serotonin 5-HT2A/2C agonist. Abstract: A method was found to synthesize 1-(2,5-dimethoxy-4-(trifluoromethyl) phenyl)-2-aminopropane, 5, and its des-alpha-methyl congener 2-(2,5-dimethoxy-4-(trifluoromethyl)phenyl)aminoethane, 6, the trifluoromethyl analogs of substituted hallucinogenic phenethylamine derivatives such as 1-(2,5-dimethoxy-4-iodophenyl)-2-aminopropane (3, DOI) that are potent 5-HT2A/2C agonists. In our hand... aid4346.table aid4346.tbin
4347 6 Title: Iodinated 2-aminotetralins and 3-amino-1-benzopyrans: ligands for dopamine D2 and D3 receptors. Abstract: In developing selective ligands for dopamine D2 and D3 receptors, several iodinated 2-aminotetralins and 3-amino-1-benzopyrans, trans-7-hydroxy-2-[N-(3'-iodo-2'- propenyl)amino]tetralin (1), trans-monohydroxy-2-[N-propyl-N-(3'-iodo-2'-propenyl)amino]tetralin (7-, 5-, and 6-OH-PIPAT) (2, 3, and 4), and trans-monohydroxy-3,4-dihydro-3-[N-propyl-N-(3'-iodo-2'- propenyl)-amino]-2H-1-benzo... aid4347.table aid4347.tbin
4348 38 Title: Synthesis and structure-activity relationships of a new model of arylpiperazines. 2. Three-dimensional quantitative structure-activity relationships of hydantoin-phenylpiperazine derivatives with affinity for 5-HT1A and alpha 1 receptors. A comparison of CoMFA models. Abstract: A series of 48 bicyclohydantoin-phenylpiperazines (1-4) with affinity for 5-HT1A and alpha 1 receptors was subjected to three-dimensional quantitative structure-affinity relationship analysis using comparative mole... aid4348.table aid4348.tbin
4349 9 Title: Structure-activity relationship studies of central nervous system agents. 13. 4-[3-(Benzotriazol-1-yl)propyl]-1-(2-methoxyphenyl)piperazine, a new putative 5-HT1A receptor antagonist, and its analogs. Abstract: A new set of 4-alkyl-1-(o-methoxyphenyl)piperazines containing a terminal benzotriazole fragment were synthesized, and their 5-HT1A and 5-HT2 affinity was determined. It was shown that the benzotriazole moiety contributes to both the 5-HT1A and 5-HT2 receptor affinity. It was demon... aid4349.table aid4349.tbin
4350 23 Title: Aminopyrimidines with high affinity for both serotonin and dopamine receptors. Abstract: A series of [4-[2(4-arylpiperazin-1-yl)alkyl]cyclohexyl]pyrimidin-2-ylamine s was prepared and found to have receptor binding affinity for D2 and D3 dopamine (DA) receptors and serotonin 5-HT1A receptors. The structural contributions to D2/D3 and 5-HT1A receptor binding of the aminopyrimidine, cycloalkyl, and phenylpiperazine portions of the molecule were examined. From these studies compounds 14, 39,... aid4350.table aid4350.tbin
4351 1 Title: Aminopyrimidines with high affinity for both serotonin and dopamine receptors. Abstract: A series of [4-[2(4-arylpiperazin-1-yl)alkyl]cyclohexyl]pyrimidin-2-ylamine s was prepared and found to have receptor binding affinity for D2 and D3 dopamine (DA) receptors and serotonin 5-HT1A receptors. The structural contributions to D2/D3 and 5-HT1A receptor binding of the aminopyrimidine, cycloalkyl, and phenylpiperazine portions of the molecule were examined. From these studies compounds 14, 39,... aid4351.table aid4351.tbin
4352 2 Title: Development of high-affinity 5-HT3 receptor antagonists. Structure-affinity relationships of novel 1,7-annelated indole derivatives. Abstract: On the basis of the structures of ondansetron and GR 65,630, its ring-opened C-linked methylimidazole analogue, novel 1,7-annelated indole derivatives were synthesized as potential 5-HT3 antagonists. Receptor binding studies show that all compounds display a high affinity for the 5-HT3 receptors. In both series annelation results in compounds being... aid4352.table aid4352.tbin
4353 3 The compound was evaluated for binding affinity against 5-hydroxytryptamine 1A receptor in rat hippocampal membranes using [3H]8-OH-DPAT as radioligand in the presence of 1 mM of MnCl2 aid4353.table aid4353.tbin
4354 3 The compound was evaluated for binding affinity against 5-hydroxytryptamine 1A receptor in rat hippocampal membranes using [3H]8-OH-DPAT as radioligand in the presence of 3*10e-5 M GTP gamma S aid4354.table aid4354.tbin
4355 17 Title: N-[1-(2-Phenylethyl)pyrrolidin-3-yl]-1-adamantanecarboxamides as novel 5-HT2 receptor antagonists. Abstract: A series of 1-adamantanecarboxamides was synthesized and examined for their potency as a selective 5-HT2 receptor antagonist. We found (S)-N-[1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-1-adamantane carboxamide hydrochloride hydrate (10-(S), Y-39241) to have a high affinity and selectivity for 5-HT2 receptors, and this potent anti-platelet effect of Y-39241 was confirmed both in vi... aid4355.table aid4355.tbin
4356 9 Title: A new arylpiperazine antipsychotic with high D2/D3/5-HT1A/alpha 1A-adrenergic affinity and a low potential for extrapyramidal effects. aid4356.table aid4356.tbin
4357 3 Title: N-Substituted (2,3-dihydro-1,4-benzodioxin-2-yl)methylamine derivatives as D(2) antagonists/5-HT(1A) partial agonists with potential as atypical antipsychotic agents. Abstract: A series of N-substituted 1-(2,3-dihydro-1, 4-benzodioxin-2-yl)methylamine derivatives with D(2) antagonist/5-HT(1A) partial agonist activity has been prepared as potential atypical antipsychotic agents. Optimization of in vitro receptor binding activity and in vivo activity in rodent models of psychosis has led to... aid4357.table aid4357.tbin
4358 6 Title: Novel adrenoceptor antagonists with a tricyclic pyrrolodipyridazine skeleton. Abstract: A still unknown tricyclic heterocyclic system (5) was synthesized from 6-hydroxy-2-methylpyridazin-3-one and its structure identified as 2,8-dichloro-6-methylpyrrolo[1,2-b:3,4-d']dipyridazin-5(6H)- one by spectroscopic investigations. Selective condensation of 5 with 2-[4-(2-substituted-phenyl)piperazin-1-yl]ethylamine gave the 2-arylpiperazinylethylamino-8-chloro derivatives 6a-c, which were investiga... aid4358.table aid4358.tbin
4359 2 Title: New generation dopaminergic agents. 6. Structure-activity relationship studies of a series of 4-(aminoethoxy)indole and 4-(aminoethoxy)indolone derivatives based on the newly discovered 3-hydroxyphenoxyethylamine D2 template. Abstract: A series of 4-(aminoethoxy)indoles 7 and a related series of 4-(aminoethoxy)indolones 8 were synthesized and evaluated for their affinity for both the high- and low-affinity agonist states (D2High and D2Low, respectively) of the dopamine (DA) D2 receptor. T... aid4359.table aid4359.tbin
4360 11 Binding affinity against 5-hydroxytryptamine 1A receptor of rat hippocampus using [3H]8-OH-DPAT aid4360.table aid4360.tbin
4361 9 Title: Novel phenylpiperazine derivatives as dual cytokine regulators with TNF-alpha suppressing and IL-10 augmenting activity. Abstract: Phenylpiperazine derivatives were synthesized as dual cytokine regulators with TNF-alpha suppressing and IL-10 augmenting activity. Lead optimization led to compound 5k having the potent regulatory activity and demonstrating remarkable protective effects against the lethal challenge of LPS in mice. suggesting that 5k would be a promising drug candidate for the... aid4361.table aid4361.tbin
4362 11 Title: Pyrrole mannich bases as potential antipsychotic agents. Abstract: Recently, we reported on a series of arylpiperazines 4 which exhibit high affinity for the serotonin 5-HT-1A and 5-HT-1B binding sites. Although these compounds interact weakly with dopamine D-1 and D-2 receptors, they are reasonably potent in inhibiting conditioned avoidance responding (CAR) in the rat, an indication of potential antipsychotic activity. Conversion of these arylpiperazines to pyrrole Mannich bases has prov... aid4362.table aid4362.tbin
4363 3 Title: Pyrrole mannich bases as potential antipsychotic agents. Abstract: Recently, we reported on a series of arylpiperazines 4 which exhibit high affinity for the serotonin 5-HT-1A and 5-HT-1B binding sites. Although these compounds interact weakly with dopamine D-1 and D-2 receptors, they are reasonably potent in inhibiting conditioned avoidance responding (CAR) in the rat, an indication of potential antipsychotic activity. Conversion of these arylpiperazines to pyrrole Mannich bases has prov... aid4363.table aid4363.tbin
4364 1 Title: Novel, potent, and selective 5-HT3 receptor antagonists based on the arylpiperazine skeleton: synthesis, structure, biological activity, and comparative molecular field analysis studies. Abstract: Synthesis and pharmacological evaluation of a series of condensed quinoline derivatives bearing a basic nitrogen on piperazine or [(dimethylamino)ethyl]thio moieties attached at the 2-position of the quinoline nucleus are described. 5-HT receptor binding studies revealed, for most of the compoun... aid4364.table aid4364.tbin
4365 1 Title: Novel, potent, and selective 5-HT3 receptor antagonists based on the arylpiperazine skeleton: synthesis, structure, biological activity, and comparative molecular field analysis studies. Abstract: Synthesis and pharmacological evaluation of a series of condensed quinoline derivatives bearing a basic nitrogen on piperazine or [(dimethylamino)ethyl]thio moieties attached at the 2-position of the quinoline nucleus are described. 5-HT receptor binding studies revealed, for most of the compoun... aid4365.table aid4365.tbin
4366 22 Title: Novel, potent, and selective 5-HT3 receptor antagonists based on the arylpiperazine skeleton: synthesis, structure, biological activity, and comparative molecular field analysis studies. Abstract: Synthesis and pharmacological evaluation of a series of condensed quinoline derivatives bearing a basic nitrogen on piperazine or [(dimethylamino)ethyl]thio moieties attached at the 2-position of the quinoline nucleus are described. 5-HT receptor binding studies revealed, for most of the compoun... aid4366.table aid4366.tbin
4367 45 Title: Structure-activity relationships in the 8-amino-6,7,8,9-tetrahydro-3H-benz[e]indole ring system. 2. Effects of 8-amino nitrogen substitution on serotonin receptor binding and pharmacology. Abstract: A series of analogs of the potent and selective 5-HT1A agonist 8-(di-n-propylamino)-6,7,8,9-tetrahydro-3H-benz[e]indole-1-carbaldehyde (2b) (OSU191) was prepared in which the dipropylamino group was modified to bear a variety of substituents. These compounds were evaluated for both in vitro an... aid4367.table aid4367.tbin
4368 21 Title: 6,7,8,9-Tetrahydro-N,N-di-n-propyl-3H-benzindol-8-amines. Derivatives as potent and orally active serotonin 5-HT1A receptor agonists. Abstract: Derivatives and isosteric derivatives of the potent 5-HT1A agonist 8-(di-n-propylamino)-6,7,8,9- tetrahydro-3H-benz[e]indole-1-carbaldehyde (5) were prepared and evaluated in vivo and in vitro for serotonergic and dopaminergic activity. The 1-cyano analog 8 was found to be almost equipotent to 5 and the previously described 2-cyano derivative 6, w... aid4368.table aid4368.tbin
4369 1 Title: Synthesis and structure-activity relationship of substituted tetrahydro- and hexahydro-1,2-benzisothiazol-3-one 1,1-dioxides and thiadiazinones: potential anxiolytic agents. Abstract: Several novel substituted tetrahydro- and hexahydro-1,2-benzisothiazol-3-one 1,1-dioxides and thiadiazinones were prepared and examined in a series of in vitro and in vivo tests to determine their pharmacological profile. Most compounds were orally active in blocking the conditioned avoidance response (CAR) ... aid4369.table aid4369.tbin
4370 38 Title: Structure-activity relationships in the 8-amino-6,7,8,9-tetrahydro-3H-benz[e]indole ring system. 1. Effects of substituents in the aromatic system on serotonin and dopamine receptor subtypes. Abstract: A series of 1-, 3-, and 4-substituted analogs to the potent 5-HT1A against 8-(dipropylamino)-6,7,8,9-tetrahydro-3H-benz[e]indole-1-carbaldehyde (5) were prepared and tested in vitro at 5-HT1A, 5-HT1D alpha, 5-HT1D beta, D2, and D3 receptors and in vivo for agonist activity in the 5-HTP and ... aid4370.table aid4370.tbin
4371 20 Title: Synthesis and structure-activity relationships of a new model of arylpiperazines. 3.1 2-[omega-(4-arylpiperazin-1-yl)alkyl]perhydropyrrolo- [1,2-c]imidazoles and -perhydroimidazo[1,5-a]pyridines: study of the influence of the terminal amide fragment on 5-HT1A affinity/selectivity. Abstract: A series of new arylpiperazine derivatives 2, which are devoid of the terminal amide fragment present in related 5-HT1A ligands, was prepared and evaluated for affinity at 5-HT1A and alpha 1 receptors.... aid4371.table aid4371.tbin
4372 2 Title: Structure-activity relationship studies of central nervous system agents. 5. Effect of the hydrocarbon chain on the affinity of 4-substituted 1-(3-chlorophenyl)piperazines for 5-HT1A receptor site. Abstract: The effect of the hydrocarbon chain of the model 4-substituted 1-(3-chlorophenyl)piperazines 12-31 on their affinity for 5-HT1A receptor sites was investigated. It was found that elongation of the 4-n-alkyl chain strongly increases the 5-HT1A affinity of the investigated compounds. Th... aid4372.table aid4372.tbin
4373 1 Title: Structure-activity relationship studies of central nervous system agents. 5. Effect of the hydrocarbon chain on the affinity of 4-substituted 1-(3-chlorophenyl)piperazines for 5-HT1A receptor site. Abstract: The effect of the hydrocarbon chain of the model 4-substituted 1-(3-chlorophenyl)piperazines 12-31 on their affinity for 5-HT1A receptor sites was investigated. It was found that elongation of the 4-n-alkyl chain strongly increases the 5-HT1A affinity of the investigated compounds. Th... aid4373.table aid4373.tbin
4374 13 Title: Structure-activity relationship studies of central nervous system agents. 5. Effect of the hydrocarbon chain on the affinity of 4-substituted 1-(3-chlorophenyl)piperazines for 5-HT1A receptor site. Abstract: The effect of the hydrocarbon chain of the model 4-substituted 1-(3-chlorophenyl)piperazines 12-31 on their affinity for 5-HT1A receptor sites was investigated. It was found that elongation of the 4-n-alkyl chain strongly increases the 5-HT1A affinity of the investigated compounds. Th... aid4374.table aid4374.tbin
4375 10 Title: Synthesis and molecular modeling of new 1-aryl-3-[4-arylpiperazin-1-yl]-1-propane derivatives with high affinity at the serotonin transporter and at 5-HT(1A) receptors. Abstract: It has been proposed that 5-HT(1A) receptor antagonists augment the antidepressant efficacy of selective serotonin (5-HT) reuptake inhibitors. In a search toward new and efficient antidepressants, 1-(aryl)-3-[4-arylpiperazin-1-yl]-1-propane molecular hybrids were designed, synthesized, and evaluated for 5-HT reup... aid4375.table aid4375.tbin
4376 9 Title: Synthesis and molecular modeling of new 1-aryl-3-[4-arylpiperazin-1-yl]-1-propane derivatives with high affinity at the serotonin transporter and at 5-HT(1A) receptors. Abstract: It has been proposed that 5-HT(1A) receptor antagonists augment the antidepressant efficacy of selective serotonin (5-HT) reuptake inhibitors. In a search toward new and efficient antidepressants, 1-(aryl)-3-[4-arylpiperazin-1-yl]-1-propane molecular hybrids were designed, synthesized, and evaluated for 5-HT reup... aid4376.table aid4376.tbin
4377 1 Title: Alpha(1)-adrenoceptor antagonists. 4. Pharmacophore-based design, synthesis, and biological evaluation of new imidazo-, benzimidazo-, and indoloarylpiperazine derivatives. Abstract: As a part of a program aimed at discovering compounds endowed with alpha(1)-adrenoceptor (AR) blocking properties, in this paper we describe the synthesis and biological characterization of the compounds designed to fully match a three-dimensional pharmacophore model for alpha(1)-AR antagonists previously deve... aid4377.table aid4377.tbin
4378 1 Title: Alpha(1)-adrenoceptor antagonists. 4. Pharmacophore-based design, synthesis, and biological evaluation of new imidazo-, benzimidazo-, and indoloarylpiperazine derivatives. Abstract: As a part of a program aimed at discovering compounds endowed with alpha(1)-adrenoceptor (AR) blocking properties, in this paper we describe the synthesis and biological characterization of the compounds designed to fully match a three-dimensional pharmacophore model for alpha(1)-AR antagonists previously deve... aid4378.table aid4378.tbin
4379 2 Title: Alpha(1)-adrenoceptor antagonists. 4. Pharmacophore-based design, synthesis, and biological evaluation of new imidazo-, benzimidazo-, and indoloarylpiperazine derivatives. Abstract: As a part of a program aimed at discovering compounds endowed with alpha(1)-adrenoceptor (AR) blocking properties, in this paper we describe the synthesis and biological characterization of the compounds designed to fully match a three-dimensional pharmacophore model for alpha(1)-AR antagonists previously deve... aid4379.table aid4379.tbin
4380 1 Title: Alpha(1)-adrenoceptor antagonists. 4. Pharmacophore-based design, synthesis, and biological evaluation of new imidazo-, benzimidazo-, and indoloarylpiperazine derivatives. Abstract: As a part of a program aimed at discovering compounds endowed with alpha(1)-adrenoceptor (AR) blocking properties, in this paper we describe the synthesis and biological characterization of the compounds designed to fully match a three-dimensional pharmacophore model for alpha(1)-AR antagonists previously deve... aid4380.table aid4380.tbin
4381 2 Title: Alpha1-adrenoceptor antagonists. 6. Structural optimization of pyridazinone-arylpiperazines. Study of the influence on affinity and selectivity of cyclic substituents at the pyridazinone ring and alkoxy groups at the arylpiperazine moiety. Abstract: In continuing our search for selective alpha(1)-adrenoceptor (AR) antagonists, we have synthesized new alkoxyarylpiperazinylalkylpyridazinone derivatives. The new compounds were tested for their affinity toward alpha(1)- and alpha(2)-AR and to... aid4381.table aid4381.tbin
4382 4 Title: Alpha1-adrenoceptor antagonists. 6. Structural optimization of pyridazinone-arylpiperazines. Study of the influence on affinity and selectivity of cyclic substituents at the pyridazinone ring and alkoxy groups at the arylpiperazine moiety. Abstract: In continuing our search for selective alpha(1)-adrenoceptor (AR) antagonists, we have synthesized new alkoxyarylpiperazinylalkylpyridazinone derivatives. The new compounds were tested for their affinity toward alpha(1)- and alpha(2)-AR and to... aid4382.table aid4382.tbin
4383 1 Title: Synthesis and molecular modeling of new 1-aryl-3-[4-arylpiperazin-1-yl]-1-propane derivatives with high affinity at the serotonin transporter and at 5-HT(1A) receptors. Abstract: It has been proposed that 5-HT(1A) receptor antagonists augment the antidepressant efficacy of selective serotonin (5-HT) reuptake inhibitors. In a search toward new and efficient antidepressants, 1-(aryl)-3-[4-arylpiperazin-1-yl]-1-propane molecular hybrids were designed, synthesized, and evaluated for 5-HT reup... aid4383.table aid4383.tbin
4384 1 Title: Syntheses and binding studies of new [(aryl)(aryloxy)methyl]piperidine derivatives and related compounds as potential antidepressant drugs with high affinity for serotonin (5-HT) and norepinephrine (NE) transporters. Abstract: In a wide search program toward new, efficient, and fast-acting antidepressant drugs, we have prepared series of new compounds having an (aryl)(aryloxy)methyl moiety linked directly or through a methylene chain to different substituted and unsubstituted cycles (isoq... aid4384.table aid4384.tbin
4385 1 Title: Syntheses and binding studies of new [(aryl)(aryloxy)methyl]piperidine derivatives and related compounds as potential antidepressant drugs with high affinity for serotonin (5-HT) and norepinephrine (NE) transporters. Abstract: In a wide search program toward new, efficient, and fast-acting antidepressant drugs, we have prepared series of new compounds having an (aryl)(aryloxy)methyl moiety linked directly or through a methylene chain to different substituted and unsubstituted cycles (isoq... aid4385.table aid4385.tbin
4386 10 Title: Synthesis and pharmacological evaluation of potent and highly selective D3 receptor ligands: inhibition of cocaine-seeking behavior and the role of dopamine D3/D2 receptors. Abstract: The synthesis, pharmacological evaluation, and structure-activity relationships (SARs) of a series of novel arylalkylpiperazines structurally related to BP897 (3) are described. In binding studies, the new derivatives were tested against a panel of dopamine, serotonin, and noradrenaline receptor subtypes. Fo... aid4386.table aid4386.tbin
4387 5 Title: Effect of ring fluorination on the pharmacology of hallucinogenic tryptamines. Abstract: A series of fluorinated analogues of the hallucinogenic tryptamines N,N-diethyltryptamine (DET), 4-hydroxy-N,N-dimethyltryptamine (4-OH-DMT, psilocin), and 5-methoxy-DMT was synthesized to investigate possible explanations for the inactivity of 6-fluoro-DET as a hallucinogen and to determine the effects of fluorination on the molecular recognition and activation of these compounds at serotonin recepto... aid4387.table aid4387.tbin
4388 1 Title: Effect of ring fluorination on the pharmacology of hallucinogenic tryptamines. Abstract: A series of fluorinated analogues of the hallucinogenic tryptamines N,N-diethyltryptamine (DET), 4-hydroxy-N,N-dimethyltryptamine (4-OH-DMT, psilocin), and 5-methoxy-DMT was synthesized to investigate possible explanations for the inactivity of 6-fluoro-DET as a hallucinogen and to determine the effects of fluorination on the molecular recognition and activation of these compounds at serotonin recepto... aid4388.table aid4388.tbin
4389 5 Title: New 5-HT1A receptor agonists possessing 1,4-benzoxazepine scaffold exhibit highly potent anti-ischemic effects. Abstract: A series of new 3-substituted-4-(4-aminobutyl)-1,4-benzoxazepin-5(4H)-one derivatives (1-5) which showed a very high affinity for 5-HT1A receptor with good selectivity over dopamine D2 receptor was synthesized. Among these compounds, 3-chloro-4-[4-[4-(2-pyridinyl)-1,2,3,6-tetrahydropyridin-1-yl]butyl]-1,4-benzoxazepin-5(4H)-one (5: SUN N4057) exhibited remarkable neuro... aid4389.table aid4389.tbin
4390 6 Title: Synthesis and structure-activity relationship of substituted tetrahydro- and hexahydro-1,2-benzisothiazol-3-one 1,1-dioxides and thiadiazinones: potential anxiolytic agents. Abstract: Several novel substituted tetrahydro- and hexahydro-1,2-benzisothiazol-3-one 1,1-dioxides and thiadiazinones were prepared and examined in a series of in vitro and in vivo tests to determine their pharmacological profile. Most compounds were orally active in blocking the conditioned avoidance response (CAR) ... aid4390.table aid4390.tbin
4391 7 Title: Synthesis and structure-activity relationship of substituted tetrahydro- and hexahydro-1,2-benzisothiazol-3-one 1,1-dioxides and thiadiazinones: potential anxiolytic agents. Abstract: Several novel substituted tetrahydro- and hexahydro-1,2-benzisothiazol-3-one 1,1-dioxides and thiadiazinones were prepared and examined in a series of in vitro and in vivo tests to determine their pharmacological profile. Most compounds were orally active in blocking the conditioned avoidance response (CAR) ... aid4391.table aid4391.tbin
4392 1 Title: Synthesis and structure-activity relationship of substituted tetrahydro- and hexahydro-1,2-benzisothiazol-3-one 1,1-dioxides and thiadiazinones: potential anxiolytic agents. Abstract: Several novel substituted tetrahydro- and hexahydro-1,2-benzisothiazol-3-one 1,1-dioxides and thiadiazinones were prepared and examined in a series of in vitro and in vivo tests to determine their pharmacological profile. Most compounds were orally active in blocking the conditioned avoidance response (CAR) ... aid4392.table aid4392.tbin
4393 1 Title: (R)-1,2,3,4-tetrahydro[1]benzothieno[2,3-c]pyridines: novel optically active compounds with strong 5-HT1A receptor binding ability exhibiting anticonflict activity and lessening of memory impairment. Abstract: (R)-1,2,3,4-Tetrahydro[1]benzothieno[2,3-c]pyridine derivatives (60-114) were synthesized. The (R)-isomers have affinity for the 5-HT1A receptor while the (S)-isomers have no such ability. The affinity of the (R)-isomers was discussed on the basis of structure-activity relationships... aid4393.table aid4393.tbin
4394 1 Title: Functional characteristics of a series of N4-substituted 1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazines as 5-HT1A receptor ligands. Structure-activity relationships. Abstract: The agonistic/antagonistic profile of a series of 10 N4-substituted 1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazines is evaluated in the in vitro adenylyl cyclase assay. The profile is severely affected by the characteristics of the N4-substituents ranging from full agonism (benzamidoethyl derivative 1), mixed agoni... aid4394.table aid4394.tbin
4395 3 Title: Functional characteristics of a series of N4-substituted 1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazines as 5-HT1A receptor ligands. Structure-activity relationships. Abstract: The agonistic/antagonistic profile of a series of 10 N4-substituted 1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazines is evaluated in the in vitro adenylyl cyclase assay. The profile is severely affected by the characteristics of the N4-substituents ranging from full agonism (benzamidoethyl derivative 1), mixed agoni... aid4395.table aid4395.tbin
4396 2 Title: Functional characteristics of a series of N4-substituted 1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazines as 5-HT1A receptor ligands. Structure-activity relationships. Abstract: The agonistic/antagonistic profile of a series of 10 N4-substituted 1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazines is evaluated in the in vitro adenylyl cyclase assay. The profile is severely affected by the characteristics of the N4-substituents ranging from full agonism (benzamidoethyl derivative 1), mixed agoni... aid4396.table aid4396.tbin
4397 2 Title: Functional characteristics of a series of N4-substituted 1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazines as 5-HT1A receptor ligands. Structure-activity relationships. Abstract: The agonistic/antagonistic profile of a series of 10 N4-substituted 1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazines is evaluated in the in vitro adenylyl cyclase assay. The profile is severely affected by the characteristics of the N4-substituents ranging from full agonism (benzamidoethyl derivative 1), mixed agoni... aid4397.table aid4397.tbin
4398 1 Title: Functional characteristics of a series of N4-substituted 1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazines as 5-HT1A receptor ligands. Structure-activity relationships. Abstract: The agonistic/antagonistic profile of a series of 10 N4-substituted 1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazines is evaluated in the in vitro adenylyl cyclase assay. The profile is severely affected by the characteristics of the N4-substituents ranging from full agonism (benzamidoethyl derivative 1), mixed agoni... aid4398.table aid4398.tbin
4399 6 Title: Graphics computer-aided receptor mapping as a predictive tool for drug design: development of potent, selective, and stereospecific ligands for the 5-HT1A receptor. Abstract: A conformational study of four 5-HT1A (serotonin) receptor ligands ((R-(-)-methiothepin, spiperone, (S)-(-)-propranolol, and buspirone) led to the definition of a pharmacophore and a three-dimensional map of the 5-HT1A antagonist recognition site. These models were used to design new compounds and successfully predic... aid4399.table aid4399.tbin
4400 6 Title: Graphics computer-aided receptor mapping as a predictive tool for drug design: development of potent, selective, and stereospecific ligands for the 5-HT1A receptor. Abstract: A conformational study of four 5-HT1A (serotonin) receptor ligands ((R-(-)-methiothepin, spiperone, (S)-(-)-propranolol, and buspirone) led to the definition of a pharmacophore and a three-dimensional map of the 5-HT1A antagonist recognition site. These models were used to design new compounds and successfully predic... aid4400.table aid4400.tbin
4401 32 Title: QSAR study on the affinity of some arylpiperazines towards the 5-HT1A/alpha1-adrenergic receptor using the E-state index. Abstract: QSAR models represent the relationship of biological activity with either physicochemical parameters or structural indices. QSAR study was performed on some arylpiperazines as 5-HT(1A)/alpha(1)-adrenergic receptor antagonists using E-state indices to identify the pharmacophoric requirements. It was found that some of the atoms played important roles to both a... aid4401.table aid4401.tbin
4402 1 Title: N-(1-methyl-5-indolyl)-N'-(3-pyridyl)urea hydrochloride: the first selective 5-HT1C receptor antagonist. aid4402.table aid4402.tbin
4403 1 Title: A novel series of 2,5-substituted tryptamine derivatives as vascular 5HT1B/1D receptor antagonists. Abstract: The design, synthesis, and activity of a novel series of 2,5-substituted tryptamine derivatives at vascular 5HT1B-like receptors is described. Several important auxiliary binding sites of the 5HT1B-like receptor have been proposed following various modifications to the 2-substituent and especially to the methylene- or ethylene-linked 5-side chain. Careful design of new molecules b... aid4403.table aid4403.tbin
4404 40 Title: 1,9-Alkano-bridged 2,3,4,5-tetrahydro-1H-3-benzazepines with affinity for the alpha 2-adrenoceptor and the 5-HT1A receptor. Abstract: A number of 1,9-alkano-bridged 2,3,4,5-tetrahydro-1H-3-benzazepines were prepared and evaluated for 5-HT1A receptor and alpha 2-adrenoceptor affinity by using radioligand receptor binding techniques. Several compounds displayed 5-HT1A receptor affinity comparable to, or greater than, the known 5-HT1A ligand buspirone. The highest affinity 5-HT1A receptor li... aid4404.table aid4404.tbin
4405 2 Title: Synthesis and serotonergic activity of substituted 2, N-benzylcarboxamido-5-(2-ethyl-1-dioxoimidazolidinyl)-N, N-dimethyltryptamine derivatives: novel antagonists for the vascular 5-HT(1B)-like receptor. Abstract: The synthesis and vascular 5-HT(1B)-like receptor activity of a novel series of substituted 2, N-benzylcarboxamido-5-(2-ethyl-1-dioxoimidazolidinyl)-N, N-dimethyltryptamine derivatives are described. Modifications to the 5-ethylene-linked heterocycle and to substituents on the 2... aid4405.table aid4405.tbin
4406 1 Title: Synthesis and biological profile of the enantiomers of [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-cis-octahydroquinoxalin- 1-yl]furan-2-ylmethanone (cyclazosin), a potent competitive alpha 1B- adrenoceptor antagonist. Abstract: The enantiomers of [4-(4-amino-6, 7-dimethoxyquinazolin-2-yl)-cis-octahydroquinoxalin-1-yl]-fu ran- 2-ylmethanone (cyclazosin, 1) were synthesized from the chiral furan-2-yl(cis-octahydroquinoxalin-1-yl)methanone [(+)-2 and (-)-2], which were obtained by resolution ... aid4406.table aid4406.tbin
4407 5 Title: Synthesis and biological profile of the enantiomers of [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-cis-octahydroquinoxalin- 1-yl]furan-2-ylmethanone (cyclazosin), a potent competitive alpha 1B- adrenoceptor antagonist. Abstract: The enantiomers of [4-(4-amino-6, 7-dimethoxyquinazolin-2-yl)-cis-octahydroquinoxalin-1-yl]-fu ran- 2-ylmethanone (cyclazosin, 1) were synthesized from the chiral furan-2-yl(cis-octahydroquinoxalin-1-yl)methanone [(+)-2 and (-)-2], which were obtained by resolution ... aid4407.table aid4407.tbin
4408 1 Title: Discovery and SAR of org 24598-a selective glycine uptake inhibitor. Abstract: The discovery of Org 24598, one of the first potent and selective inhibitors of the glycine transporter is discussed. In vitro structure-activity relationships (SARs) data for interaction of a ligand with this system is discussed. aid4408.table aid4408.tbin
4409 1 Title: 5-Methyl-1-(3-pyridylcarbamoyl)-1,2,3,5-tetrahydropyrrolo[2,3-f]indole: a novel 5-HT2C/5-HT2B receptor antagonist with improved affinity, selectivity, and oral activity. Abstract: The preparation of a series of conformationally restricted analogues of indolylurea 1, namely tetrahydropyrroloindoles and tetrahydropyrroloquinolines, is described. The binding affinities of these compounds at 5-HT2A, 5-HT2B, and 5-HT2C receptors were determined. Of these compounds, the 1,2,3,5-tetrahydropyrrol... aid4409.table aid4409.tbin
4410 12 Title: A series of N4-imidoethyl derivatives of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine as 5-HT1A receptor ligands: synthesis and structure-affinity relationships. Abstract: A series of unsubstituted and substituted succinimido, maleimido, and glutarimidoethyl derivatives of eltoprazine (3) was synthesized and tested for affinity for the 5-HT1A receptor in rat brain homogenates. The unsubstituted compounds have a moderate affinity for the receptor, while the affinity considerably increase... aid4410.table aid4410.tbin
4411 268 Title: Binding of arylpiperazines, (aryloxy)propanolamines, and tetrahydropyridylindoles to the 5-HT1A receptor: contribution of the molecular lipophilicity potential to three-dimensional quantitative structure-affinity relationship models. Abstract: A set of 280 5-HT1A receptor ligands were selected from available literature data according to predefined criteria and subjected to three-dimensional quantitative structure-affinity relationship analysis using comparative molecular field analysis. N... aid4411.table aid4411.tbin
4412 51 Title: Three-dimensional quantitative structure-activity relationships of 5-HT receptor binding data for tetrahydropyridinylindole derivatives: a comparison of the Hansch and CoMFA methods. Abstract: A series of new derivatives of 3-(1,2,5,6-tetrahydropyridin-4-yl)indole (4-THPI) has been synthesized, and their dissociation constants at the 5-HT1A and 5-HT2 serotonin (5-HT) receptor subtypes have been determined. The new data were combined with similar binding data on a related set of THPI analo... aid4412.table aid4412.tbin
4413 48 Title: Novel derivatives of 2-pyridinemethylamine as selective, potent, and orally active agonists at 5-HT1A receptors. Abstract: The aim of this work was to improve the oral bioavailability of a recently discovered, novel structural class of 5-HT1A receptor agonists: aryl-{[4-(6-R-pyridin-2-ylmethyl)-amino]-methyl}-piperidin-1 -yl-metha none. Incorporation of a fluorine atom in the beta-position to the amino function in the side chain led to analogues that exhibited, in general, enhanced and lo... aid4413.table aid4413.tbin
4414 6 Binding affinity towards 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT in rat hippocampus aid4414.table aid4414.tbin
4415 17 Title: New 2-piperazinylbenzimidazole derivatives as 5-HT3 antagonists. Synthesis and pharmacological evaluation. Abstract: A series of 2-piperazinylbenzimidazole derivatives were prepared and evaluated as 5-HT3 receptor antagonists. Their 5-HT3 receptor affinities were evaluated by radioligand binding assays, and their abilities to inhibit the 5-HT-induced Bezold-Jarisch reflex in anesthetized rats were determined. Compound 7e (lerisetron, pKi = 9.2) exhibited higher affinity for the 5-HT3 rece... aid4415.table aid4415.tbin
4416 35 Title: Characterization of potent and selective antagonists at postsynaptic 5-HT1A receptors in a series of N4-substituted arylpiperazines. Abstract: Benzocycloalkyl and benzocycloalkenyl moities linked, directly or via an alkyl chain, to oxygen-bearing heteroarylpiperazines were synthesized, in an attempt to obtain potent and selective antagonists at postsynaptic 5-HT1A receptors. From the numerous arylpiperazines described in the literature, 1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine (3a) ... aid4416.table aid4416.tbin
4417 12 Title: Functional characteristics of a series of N4-substituted 1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazines as 5-HT1A receptor ligands. Structure-activity relationships. Abstract: The agonistic/antagonistic profile of a series of 10 N4-substituted 1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazines is evaluated in the in vitro adenylyl cyclase assay. The profile is severely affected by the characteristics of the N4-substituents ranging from full agonism (benzamidoethyl derivative 1), mixed agoni... aid4417.table aid4417.tbin
4418 1 Title: Functional characteristics of a series of N4-substituted 1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazines as 5-HT1A receptor ligands. Structure-activity relationships. Abstract: The agonistic/antagonistic profile of a series of 10 N4-substituted 1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazines is evaluated in the in vitro adenylyl cyclase assay. The profile is severely affected by the characteristics of the N4-substituents ranging from full agonism (benzamidoethyl derivative 1), mixed agoni... aid4418.table aid4418.tbin
4419 71 Title: Design and synthesis of a series of 6-substituted-2-pyridinylmethylamine derivatives as novel, high-affinity, selective agonists at 5-HT1A receptors. Abstract: A search for novel, selective agonists with high intrinsic activity at the 5-HT1A subtype of serotonin (5-HT) receptors was undertaken. Mechanistic and thermodynamic considerations led to the design of 6-substituted-2-pyridinylmethylamine as a potential 5-HT1A pharmacophore. Various adducts derived from the 6-substituted-2-pyridiny... aid4419.table aid4419.tbin
4420 4 Title: Mixed 5-HT1A/D-2 activity of a new model of arylpiperazines: 1-aryl-4-[3-(1,2-dihydronaphthalen-4-yl)-n-propyl]piperazines. 1. Synthesis and structure-activity relationships. Abstract: A new model of 4-alkyl-1-arylpiperazines containing a terminal dihydronaphthalene fragment on the alkyl chain was synthesized in order to have mixed serotonergic and dopaminergic activity and to pursue the recent alternative approaches to the discovery of novel antipsychotic and anxiolytic agents. Title com... aid4420.table aid4420.tbin
4421 6 Title: Evolution of a novel series of [(N,N-dimethylamino)propyl]- and piperazinylbenzanilides as the first selective 5-HT1D antagonists. aid4421.table aid4421.tbin
4422 2 Title: Evolution of a novel series of [(N,N-dimethylamino)propyl]- and piperazinylbenzanilides as the first selective 5-HT1D antagonists. aid4422.table aid4422.tbin
4423 1 Title: N-(1-methyl-5-indolyl)-N'-(3-methyl-5-isothiazolyl)urea: a novel, high-affinity 5-HT2B receptor antagonist. aid4423.table aid4423.tbin
4424 8 Title: Pyrroloquinoxaline derivatives as high-affinity and selective 5-HT(3) receptor agonists: synthesis, further structure-activity relationships, and biological studies. Abstract: The synthesis, pharmacological evaluation, and structure-activity relationships (SARs) of a series of novel pyrroloquinoxalines and heteroaromatic-related derivatives are described. The new pyrroloquinoxaline-related ligands were tested in rat cortex, a tissue expressing high density of 5-HT(3) receptors, and on NG1... aid4424.table aid4424.tbin
4425 18 Title: 5-HT1A-versus D2-receptor selectivity of flesinoxan and analogous N4-substituted N1-arylpiperazines. Abstract: We investigated the structural requirements for high 5-HT1A affinity of the agonist flesinoxan and its selectivity versus D2 receptors. For this purpose a series of arylpiperazine congeners of flesinoxan were synthesized and evaluated for their ability to displace [3H]-8-OH-DPAT and [3H]spiperone from their specific binding sites in rat frontal cortex homogenates and rat striatum... aid4425.table aid4425.tbin
4426 1 Title: Alpha(1)-adrenoceptor antagonists. 4. Pharmacophore-based design, synthesis, and biological evaluation of new imidazo-, benzimidazo-, and indoloarylpiperazine derivatives. Abstract: As a part of a program aimed at discovering compounds endowed with alpha(1)-adrenoceptor (AR) blocking properties, in this paper we describe the synthesis and biological characterization of the compounds designed to fully match a three-dimensional pharmacophore model for alpha(1)-AR antagonists previously deve... aid4426.table aid4426.tbin
4427 1 Title: Effect of ring fluorination on the pharmacology of hallucinogenic tryptamines. Abstract: A series of fluorinated analogues of the hallucinogenic tryptamines N,N-diethyltryptamine (DET), 4-hydroxy-N,N-dimethyltryptamine (4-OH-DMT, psilocin), and 5-methoxy-DMT was synthesized to investigate possible explanations for the inactivity of 6-fluoro-DET as a hallucinogen and to determine the effects of fluorination on the molecular recognition and activation of these compounds at serotonin recepto... aid4427.table aid4427.tbin
4428 1 Title: Stereoselective LSD-like activity in a series of d-lysergic acid amides of (R)- and (S)-2-aminoalkanes. Abstract: The 3-pentyl-, (R)- and (S)-2-pentyl-, 2-hexyl-, and 2-heptylamides of d-lysergic acid were synthesized and evaluated in biochemical and behavioral assays for LSD-like activity. In radioligand competition studies, the (R)-lysergamides were consistently more potent than the (S)-amides in displacing [3H]ketanserin from 5-HT2A receptors in rat cortical homogenate and in displacin... aid4428.table aid4428.tbin
4429 15 Inhibition of specific [3H]OH-DPAT binding at 5-hydroxytryptamine 1A receptor in rat hippocampal membranes aid4429.table aid4429.tbin
4430 8 Title: Resolved N,N-dialkylated 2-amino-8-hydroxytetralins: stereoselective interactions with 5-HT1A receptors in the brain. Abstract: The enantiomers of the N,N-dimethylamino (1), N,N-diethylamino (2), and N,N-dibutylamino (4) derivatives of 8-hydroxy-2-(dipropylamino)tetralin (8-OH DPAT; 3) have been synthesized. The compounds have been tested for activity at central 5-hydroxytryptamine and dopamine receptors by use of biochemical and behavioral tests in rats. In addition, the ability of the e... aid4430.table aid4430.tbin
4431 1 Title: New sigma and 5-HT1A receptor ligands: omega-(tetralin-1-yl)-n-alkylamine derivatives. Abstract: Two series of compounds that are structurally related to benzomorphans, derived by structural modification of arylpiperazines with high 5-HT1A affinity and moderate sigma affinity, were prepared in order to increase sigma affinity and selectivity. All new compounds are N-substituted-omega-(1,2,3,4-tetrahydronaphthalen-1-yl)- or -omega-(1,2-dihydronaphthalen-4-yl)-n-alkylamines with, in some ca... aid4431.table aid4431.tbin
4432 1 Title: Derivatives of (R)- and (S)-5-fluoro-8-hydroxy-2-(dipropylamino)tetralin: synthesis and interactions with 5-HT1A receptors. Abstract: Analogs of the 5-HT1A receptor antagonist (S)-5-fluoro-8-hydroxy-2-(dipropylamino)tetralin [(S)-1,(S)-UH301] have been prepared. The C8-substituent has been varied, and in some derivatives one of the N-propyl groups has been exchanged for a 4-(8-aza-7,9-dioxospiro[4.5]decan-8-yl)-butyl group. The novel compounds have been evaluated for affinity to rat brain... aid4432.table aid4432.tbin
4433 1 Title: A 3-D model for 5-HT1A-receptor agonists based on stereoselective methyl-substituted and conformationally restricted analogues of 8-hydroxy-2-(dipropylamino)tetralin. Abstract: The enantiomers of cis- and trans-1,2,3,4,4a,5,10,10a-octahydro-9-hydroxy-1- propylbenzo[g]quinolines (10 and 11, respectively) and the enantiomers of trans-1,2,3,4,4a,5,6,10b-octahydro-10- hydroxy-4-propylbenzo[f]quinoline (12) have been synthesized and their stereochemical and conformational characteristics have ... aid4433.table aid4433.tbin
4434 1 Title: Orally active central dopamine and serotonin receptor ligands: 5-, 6-, 7-, and 8-[[trifluoromethyl)sulfonyl]oxy]-2-(di-n-propylamino)tetralins and the formation of active metabolites in vivo. Abstract: The racemic triflate derivatives 5-8 of the 5-, 6-, 7-, and 8-hydroxylated 2-(di-n-propylamino)-teralins 1-4 were shown to possess similar pharmacological profiles to their phenolic counterparts in in vitro binding and in vivo biochemical and behavioral assays in rats. Consequently, subcuta... aid4434.table aid4434.tbin
4435 1 Title: First tricyclic oximino derivatives as 5-HT3 ligands. Abstract: The design and synthesis of a new type of 5-HT3 ligand with subnanomolar affinity are described. The O-dialkylaminoethyloximinothienopyrrolizine structure was deduced from molecular modeling studies by replacement of an amidine moiety by an oximino one. aid4435.table aid4435.tbin
4436 7 Title: 7-Methyl-6,7,8,9,14,15-hexahydro-5H-benz[d]indolo[2,3-g]azecine: a new heterocyclic system and a new lead compound for dopamine receptor antagonists. Abstract: Partially hydrogenated derivatives of the new heterocyclic ring systems benz[d]indolo[2,3-g]azecine and bisindolo[3,2-d][2, 3-g]azecine were synthesized starting from lactones and amines via the described synthetic methods. In binding assays with rat striatal receptors, 7-methyl-6,7,8,9,14,15-hexahydro-5H-benz[d]indolo[2, 3-g]azeci... aid4436.table aid4436.tbin
4437 2 Title: Combinatorial synthesis of 3-(amidoalkyl) and 3-(aminoalkyl)-2-arylindole derivatives: discovery of potent ligands for a variety of G-protein coupled receptors. Abstract: Preparation and screening of mixture libraries based on a 2-arylindole scaffold resulted in the discovery of potent ligands for a variety of G-protein coupled receptors. aid4437.table aid4437.tbin
4438 2 Tested for binding affinity for 5-hydroxytryptamine 1A receptor aid4438.table aid4438.tbin
4439 5 The compound was evaluated for its ability to displace [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in cellular brain membranes aid4439.table aid4439.tbin
4440 1 Title: Design, synthesis and biological activity of novel dimethyl-[2-[6-substituted-indol-1-yl]-ethyl]-amine as potent, selective, and orally-bioavailable 5-HT(1D) agonists. Abstract: A novel series of highly potent human 5-HT(1D) agonists, dimethyl-[2-[6-substituted-indol-1-yl]-ethyl]-amine, was synthesized. Structure-activity relationship (SAR) investigation revealed 4-[1-(2-dimethylamino-ethyl)-1H-indol-6-yl]-tetrahydro-thiopyran-4-ol, 11b (ALX-2732), as a potent (K(i)=2.4 nM) agonist at the... aid4440.table aid4440.tbin
4441 1 Title: 1-(Bicyclopiperazinyl)ethylindoles and 1-(homopiperazinyl)ethyl-indoles as highly selective and potent 5-HT(7) receptor ligands. Abstract: A novel series of 1-(bicyclopiperazinyl)ethylindole and 1-(homopiperazinyl)ethyl-indole derivatives was synthesized and found to be potent and selective 5-HT(7) receptor ligands. aid4441.table aid4441.tbin
4442 28 Title: New 1-aryl-4-(biarylmethylene)piperazines as potential atypical antipsychotics sharing dopamine D(2)-receptor and serotonin 5-HT(1A)-receptor affinities. Abstract: This paper describes the syntheses of several 1-aryl-4-(biarylmethylene)piperazines and the results of the determination of their affinity for D(2) and 5-HT(1A) receptors. A selection of these compounds was evaluated in vivo, resulting in the identification of a drug candidate which is being clinically evaluated as a potential ... aid4442.table aid4442.tbin
4443 1 Title: Higher-end serotonin receptors: 5-HT(5), 5-HT(6), and 5-HT(7). aid4443.table aid4443.tbin
4444 1 Title: N-phenylphenylglycines as novel corticotropin releasing factor receptor antagonists. Abstract: Screening of a computationally designed synthetic library led to the discovery of the N-phenylphenylglycines (NPPGs) as a novel class of human corticotropin releasing factor (h-CRF(1)) antagonists. Several NPPGs with greater potency than the original hit 1 were rapidly identified, and resolution of the racemate demonstrated that only the R-enantiomer displays activity. This structural class repr... aid4444.table aid4444.tbin
4445 6 Binding affinity against 5-hydroxytryptamine 1A receptor aid4445.table aid4445.tbin
4446 6 Title: Conformational analysis of tandospirone in aqueous solution: lead evolution of potent dopamine D4 receptor ligands. Abstract: The significant contribution of folded conformation (2) of the anxiolytic tandospirone (1) in aqueous solution was verified by dynamic 1H NMR. A structurally rigid mimic of 2 was designed and synthesized to evaluate the implication of 2 towards neuroleptic receptor binding. The designed structures provided a new rigid scaffold for dopamine D4 ligands. aid4446.table aid4446.tbin
4447 9 Title: Synthesis and biological activities of (R)-5,6-dihydro-N,N-dimethyl-4H-imidazo[4,5,1-ij]quinolin-5-amine and its metabolites. Abstract: The imidazoquinoline (R)-5,6-Dihydro-N,N-dimethyl-4H-imidazo[4,5,1-ij]quinolin-5-amine [(R)-3] is a potent dopamine agonist when tested in animals but surprisingly shows very low affinity in in vitro binding assays. When incubated with mouse or monkey liver S9 microsomes, (R)-3 is metabolized by N-demethylation and oxidation to (R)-5,6-dihydro-5-(methylam... aid4447.table aid4447.tbin
4448 3 Title: Synthesis and biological activities of (R)-5,6-dihydro-N,N-dimethyl-4H-imidazo[4,5,1-ij]quinolin-5-amine and its metabolites. Abstract: The imidazoquinoline (R)-5,6-Dihydro-N,N-dimethyl-4H-imidazo[4,5,1-ij]quinolin-5-amine [(R)-3] is a potent dopamine agonist when tested in animals but surprisingly shows very low affinity in in vitro binding assays. When incubated with mouse or monkey liver S9 microsomes, (R)-3 is metabolized by N-demethylation and oxidation to (R)-5,6-dihydro-5-(methylam... aid4448.table aid4448.tbin
4449 1 Title: Centrally acting serotonergic and dopaminergic agents. 2. Synthesis and structure-activity relationships of 2,3,3a,4,9,9a-hexahydro-1H-benz[f]indole derivatives. Abstract: The conformationally restricted linear tricyclic analogs of 5- and 8-hydroxy-2-(di-n-propylamino)-tetralins were investigated for their serotonergic and dopaminergic properties. These cis and trans analogs of 2,3,3a,4,9,9a-hexahydro-1H-benz[f]indole (3), where a five-membered ring is fused between the nitrogen and C-3 c... aid4449.table aid4449.tbin
4450 13 Title: Novel indolodioxanes with antihypertensive effects: potent ligands for the 5-HT1A receptor. Abstract: The synthesis and biological evaluation of a new family of tricyclic indolodioxanes is described. These compounds all contain the 2,3-dihydro-7H-1,4-dioxino[2,3-e]indole nucleus and bear substituents at the 2 and/or 8 positions. Thirteen members of this class were prepared and shown to be potent ligands for the 5-HT1A receptor, with several compounds displaying subnanomolar inhibition con... aid4450.table aid4450.tbin
4451 6 Compound was measured in vivo for its binding affinity at 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT as radioligand aid4451.table aid4451.tbin
4452 1 Title: Quantitative binding site model generation: compass applied to multiple chemotypes targeting the 5-HT1A receptor. Abstract: We present enhancements to the Compass algorithm that automatically deduce interchemotype relationships and generate predictive quantitative models of receptor binding based solely on structure-activity data. We applied the technique to a series of compounds assayed for 5-HT1A binding. A model was constructed from 20 compounds of two chemotypes and used to predict th... aid4452.table aid4452.tbin
4453 3 Title: Conformationally restricted indolopiperidine derivatives as potent CCR2B receptor antagonists. Abstract: The preparation and biological evaluation of a series of indolopiperidine CCR2B receptor antagonists possessing a conformationally restricted C-5 linker chain in combination with a restricted piperidine ring are described. Compared to the parent compound 1, analogue 8 shows a dramatic improvement in selectivity against a range of 5-HT and dopaminergic receptors. aid4453.table aid4453.tbin
4454 10 Binding affinity towards 5-hydroxytryptamine 1A receptor by displacement of [3H]8-OH-DPAT. aid4454.table aid4454.tbin
4455 2 Title: (+/-) 3-Amino-6-carboxamido-1,2,3,4-tetrahydrocarbazole: a conformationally restricted analogue of 5-carboxamidotryptamine with selectivity for the serotonin 5-HT1D receptor. aid4455.table aid4455.tbin
4456 2 Title: Conformationally restricted indolopiperidine derivatives as potent CCR2B receptor antagonists. Abstract: The preparation and biological evaluation of a series of indolopiperidine CCR2B receptor antagonists possessing a conformationally restricted C-5 linker chain in combination with a restricted piperidine ring are described. Compared to the parent compound 1, analogue 8 shows a dramatic improvement in selectivity against a range of 5-HT and dopaminergic receptors. aid4456.table aid4456.tbin
4457 1 Title: Design and synthesis of novel 2,3-dihydro-1H-isoindoles with high affinity and selectivity for the dopamine D3 receptor. Abstract: Starting from the tetrahydroisoquinoline SB-277011 1, a novel series of 5-substituted-2,3-dihydro-1H-isoindoles has been designed. Subsequent optimisation resulted in identification of 19, which has high affinity for the dopamine D3 receptor (pKi 8.3) and &gt; or = 100-fold selectivity over other aminergic receptors. In rat studies 19 was brain penetrant with ... aid4457.table aid4457.tbin
4458 1 Title: New benzo[h][1,6]naphthyridine and azepino[3,2-c]quinoline derivatives as selective antagonists of 5-HT4 receptors: binding profile and pharmacological characterization. Abstract: A series of benzo[h][1,6]naphthyridine and azepino[3,2-c]quinoline derivatives were prepared and evaluated to determine the necessary requirements for high affinity on the 5-HT(4) receptors and high selectivity versus other receptors. The compounds were synthesized by substituting the chlorine atom of benzonapht... aid4458.table aid4458.tbin
4459 1 Title: 3-[[(Aryloxy)alkyl]piperidinyl]-1,2-benzisoxazoles as D2/5-HT2 antagonists with potential atypical antipsychotic activity: antipsychotic profile of iloperidone (HP 873). Abstract: A series of 3-[[(aryloxy)alkyl]piperidinyl]-1,2-benzisoxazoles was synthesized and evaluated as potential antipsychotic D2/5-HT2 antagonists. Most of these compounds showed potent antipsychotic-like activity in an apomorphine-induced climbing mouse paradigm, with many also showing preferential mesolimbic activit... aid4459.table aid4459.tbin
4460 2 Title: Selective, orally active 5-HT1D receptor agonists as potential antimigraine agents. aid4460.table aid4460.tbin
4461 1 Title: Separation of alpha 1 adrenergic and N-methyl-D-aspartate antagonist activity in a series of ifenprodil compounds. Abstract: Ifenprodil (1) represents a new class of N-methyl-D-aspartate (NMDA) antagonist. This drug also possesses potent activity at several other brain receptors (most notably alpha 1 adrenergic receptors). We have prepared the enantiomers and diastereomers of ifenprodil along with a series of partial structures in order to explore the basic structure activity relations wi... aid4461.table aid4461.tbin
4462 1 Title: Synthesis, SAR and pharmacology of CP-293,019: a potent, selective dopamine D4 receptor antagonist. Abstract: A series of novel, potent and selective pyrido[1,2-a]pyrazine dopamine D4 receptor antagonists are reported including CP-293,019 (D4 Ki = 3.4 nM, D2 Ki &gt; 3,310 nM), which also inhibits apomorphine-induced hyperlocomotion in rats after oral dosing. aid4462.table aid4462.tbin
4463 3 Title: Novel spiropiperidines as highly potent and subtype selective sigma-receptor ligands. Part 1. Abstract: A series of spiro[[2]benzopyran-1,4'-piperidines] and spiro[[2]benzofuran-1,4'-piperidines] of general structure 10 is prepared, and the affinity for sigma(1)- and sigma(2)-receptors is investigated by means of radioligand binding assays. The synthesis of the spiropiperidines 14a and 23 proceeds from bromine/lithium exchange of the bromoacetals 11 and 21, addition to piperidin-4-one 12a... aid4463.table aid4463.tbin
4464 1 Title: Benzoxazole derivatives as novel 5-HT3 receptor partial agonists in the gut. Abstract: A series of benzoxazoles with a nitrogen-containing heterocyclic substituent at the 2-position was prepared and evaluated for 5-HT3 partial agonist activity on isolated guinea pig ileum. The nature of the substituent at the 5-position of the benzoxazole ring affected the potency for the 5-HT3 receptor, and the 5-chloro derivatives showed increased potency and lowered intrinsic activity. 5-Chloro-7-methy... aid4464.table aid4464.tbin
4465 1 Title: Substituted hexahydrobenzo[f]thieno[c]quinolines as dopamine D1-selective agonists: synthesis and biological evaluation in vitro and in vivo. Abstract: A series of substituted 9,10-dihydroxyhexahydrobenzo[f]thieno[c]quinolines (TB[f]Q), varying with respect to the position of the thiophene relative to the benzo[f]quinoline core and the nature and position of the substituent on the thiophene, were prepared and evaluated for their affinity and selectivity for the dopamine D1-like receptor. ... aid4465.table aid4465.tbin
4466 1 Title: (5aR,11bS)-4,5,5a,6,7,11b-hexahydro-2-propyl-3-thia-5-azacyclopent-1- ena[c]-phenanthrene-9,10-diol (A-86929): a potent and selective dopamine D1 agonist that maintains behavioral efficacy following repeated administration and characterization of its diacetyl prodrug (ABT-431). aid4466.table aid4466.tbin
4467 1 Title: Thiazole as a carbonyl bioisostere. A novel class of highly potent and selective 5-HT3 receptor antagonists. Abstract: A novel structural class of highly potent and selective 5-HT3 receptor antagonists is described. The compounds in this new series contain a thiazole moiety linking an aromatic group and a nitrogen-containing basic region; the thiazole group appears to be acting as a carbonyl bioisostere in this system. An optimized member of this series, 4-(2-methoxyphenyl)-2-[[4(5)-methy... aid4467.table aid4467.tbin
4468 2 Title: New generation dopaminergic agents. 2. Discovery of 3-OH-phenoxyethylamine and 3-OH-N1-phenylpiperazine dopaminergic templates. Abstract: Described in this report is a systematic study which led to the identification of two new dopamine D2 partial agonists (5 and 17). Phenols 5 and 17 represent prototypes of two new classes of D2 partial agonists as well as templates for the future design of novel dopaminergic agents. aid4468.table aid4468.tbin
4469 1 Title: Substituted [(4-phenylpiperazinyl)-methyl]benzamides: selective dopamine D4 agonists. aid4469.table aid4469.tbin
4470 1 Title: De novo design of a novel oxazolidinone analogue as a potent and selective alpha1A adrenergic receptor antagonist with high oral bioavailability. aid4470.table aid4470.tbin
4471 5 Title: Centrally acting serotonergic and dopaminergic agents. 1. Synthesis and structure-activity relationships of 2,3,3a,4,5,9b-hexahydro-1H-benz[e]indole derivatives. Abstract: The synthesis and structure-activity relationships (SAR) of 2,3,3a,4,5,9b-hexahydro-1H-benz[e]indole derivatives (3) are described. These compounds are conformationally restricted, angular tricyclic analogs of 2-aminotetralin. The synthesis was achieved in several steps from the corresponding 2-tetralones. The enantiome... aid4471.table aid4471.tbin
4472 1 Title: Centrally acting serotonergic and dopaminergic agents. 2. Synthesis and structure-activity relationships of 2,3,3a,4,9,9a-hexahydro-1H-benz[f]indole derivatives. Abstract: The conformationally restricted linear tricyclic analogs of 5- and 8-hydroxy-2-(di-n-propylamino)-tetralins were investigated for their serotonergic and dopaminergic properties. These cis and trans analogs of 2,3,3a,4,9,9a-hexahydro-1H-benz[f]indole (3), where a five-membered ring is fused between the nitrogen and C-3 c... aid4472.table aid4472.tbin
4473 1 Title: Design, synthesis, and evaluation of chromen-2-ones as potent and selective human dopamine D4 antagonists. Abstract: The discovery of a series of chromen-2-ones with selective affinity for the dopamine (DA) D4 receptor is described. Target compounds were tested for binding to cloned human DA D2L, D3, and D4.2 receptor subtypes expressed in Chinese hamster ovary K1 cells. Several compounds demonstrated high affinity (&lt;20 nM, K(i)) and greater than 100-fold selectivity for DA D4.2 versus... aid4473.table aid4473.tbin
4474 8 Title: Synthesis and evaluation of pharmacological and pharmacokinetic properties of monopropyl analogs of 5-, 7-, and 8-[[(trifluoromethyl)sulfonyl]oxy]-2-aminotetralins: central dopamine and serotonin receptor activity. Abstract: In order to explore further the structure-activity relationships of serotonergic and dopaminergic ligands, a series of enantiopure 5-, 7-, or 8-triflate (-OTf)-substituted 2-(monopropylamino)-tetralins have been synthesized and evaluated in in vitro binding and in viv... aid4474.table aid4474.tbin
4475 2 Title: Isoindolinone enantiomers having affinity for the dopamine D4 receptor. Abstract: PD 108635 (1) was identified as a potent dopamine D4 ligand and we wanted to replace the benzylic alcohol with a metabolically more stable moiety. Investigations led to the discovery of a series of isoindolinones having D4 affinity. aid4475.table aid4475.tbin
4476 1 Title: Homoazanicotine: a structure-affinity study for nicotinic acetylcholine (nACh) receptor binding. Abstract: We have recently identified 3-[(1-methyl)-4,5-dihydro-1H-imidazol-2-yl)methyl]pyridine (homoazanicotine, 8) as a novel nicotinic acetylcholinergic (nACh) receptor ligand. In the present investigation, after we determined that 8 binds selectively at nicotinic (K(i) = 7.8 nM) vs muscarinic (K(i) &gt; 10,000 nM) acetylcholinergic receptors, we examined its structure-affinity relationshi... aid4476.table aid4476.tbin
4477 1 Ability to displace [125I]iodosulpiride from 5-hydroxytryptamine 1A receptor aid4477.table aid4477.tbin
4478 2 Binding affinity against 5-hydroxytryptamine 1A receptor aid4478.table aid4478.tbin
4479 1 Compound was evaluated for binding affinity against 5-hydroxytryptamine 1A receptor using radioligand binding assay aid4479.table aid4479.tbin
4480 1 Title: (1-Butyl-4-piperidinyl)methyl 8-amino-7-chloro-1,4-benzodioxane-5-carboxylate hydrochloride: a highly potent and selective 5-HT4 receptor antagonist derived from metoclopramide. aid4480.table aid4480.tbin
4481 5 Title: N-arylpiperazinyl-N'-propylamino derivatives of heteroaryl amides as functional uroselective alpha 1-adrenoceptor antagonists. Abstract: Novel arylpiperazines were identified as alpha 1-adrenoceptor (AR) subtype-selective antagonists by functional in vitro screening. 3-[4-(ortho-Substituted phenyl)piperazin-1-yl]propylamines were derivatized with N,N-dimethyl anthranilamides, nicotinamides, as well as carboxamides of quinoline, 1,8-naphthyridine, pyrazolo[3,4-b]pyridine, isoxazolo[3,4-b]p... aid4481.table aid4481.tbin
4482 33 Title: A novel series of 2,5-substituted tryptamine derivatives as vascular 5HT1B/1D receptor antagonists. Abstract: The design, synthesis, and activity of a novel series of 2,5-substituted tryptamine derivatives at vascular 5HT1B-like receptors is described. Several important auxiliary binding sites of the 5HT1B-like receptor have been proposed following various modifications to the 2-substituent and especially to the methylene- or ethylene-linked 5-side chain. Careful design of new molecules b... aid4482.table aid4482.tbin
4483 1 Title: A novel series of 2,5-substituted tryptamine derivatives as vascular 5HT1B/1D receptor antagonists. Abstract: The design, synthesis, and activity of a novel series of 2,5-substituted tryptamine derivatives at vascular 5HT1B-like receptors is described. Several important auxiliary binding sites of the 5HT1B-like receptor have been proposed following various modifications to the 2-substituent and especially to the methylene- or ethylene-linked 5-side chain. Careful design of new molecules b... aid4483.table aid4483.tbin
4484 7 Title: Isochroman-6-carboxamides as highly selective 5-HT1D agonists: potential new treatment for migraine without cardiovascular side effects. aid4484.table aid4484.tbin
4485 1 Title: Dimerization of sumatriptan as an efficient way to design a potent, centrally and orally active 5-HT1B agonist. Abstract: A new bivalent ligand of formula 3 which results from the covalent coupling of two sumatriptan molecules with a p-xylyl spacer at the level of the sulfonamide nitrogen has been prepared and evaluated as a 5-HT1B/1D receptors agonist. In vitro experiments at 5-HT1B human cloned receptors (Ki = 0.64 nM; EC50 = 0.58 nM) and at the level of the contraction of the New Zeala... aid4485.table aid4485.tbin
4486 1 Title: Dimerization of sumatriptan as an efficient way to design a potent, centrally and orally active 5-HT1B agonist. Abstract: A new bivalent ligand of formula 3 which results from the covalent coupling of two sumatriptan molecules with a p-xylyl spacer at the level of the sulfonamide nitrogen has been prepared and evaluated as a 5-HT1B/1D receptors agonist. In vitro experiments at 5-HT1B human cloned receptors (Ki = 0.64 nM; EC50 = 0.58 nM) and at the level of the contraction of the New Zeala... aid4486.table aid4486.tbin
4487 3 Title: Cycloalkanecarboxylic esters derived from lysergol, dihydrolysergol-I, and elymoclavine as partial agonists and antagonists at rat 5-HT2A receptors: pharmacological evidence that the indolo[4,3-fg]quinoline system of the ergolines is responsible for high 5-HT2A receptor affinity. Abstract: Three series of cycloalkanecarboxylic esters derived from the naturally occurring clavine alkaloids lysergol, dihydrolysergol-I, and elymoclavine were synthesized to study their interaction with 5-HT2A ... aid4487.table aid4487.tbin
4488 2 Title: Cycloalkanecarboxylic esters derived from lysergol, dihydrolysergol-I, and elymoclavine as partial agonists and antagonists at rat 5-HT2A receptors: pharmacological evidence that the indolo[4,3-fg]quinoline system of the ergolines is responsible for high 5-HT2A receptor affinity. Abstract: Three series of cycloalkanecarboxylic esters derived from the naturally occurring clavine alkaloids lysergol, dihydrolysergol-I, and elymoclavine were synthesized to study their interaction with 5-HT2A ... aid4488.table aid4488.tbin
4489 3 Title: Histaprodifens: synthesis, pharmacological in vitro evaluation, and molecular modeling of a new class of highly active and selective histamine H(1)-receptor agonists. Abstract: A new class of histamine analogues characterized by a 3, 3-diphenylpropyl substituent at the 2-position of the imidazole nucleus has been prepared outgoing from 4,4-diphenylbutyronitrile (4b) via cyclization of the corresponding methyl imidate 5b with 2-oxo-4-phthalimido-1-butyl acetate or 2-oxo-1,4-butandiol in li... aid4489.table aid4489.tbin
4490 2 Title: Histaprodifens: synthesis, pharmacological in vitro evaluation, and molecular modeling of a new class of highly active and selective histamine H(1)-receptor agonists. Abstract: A new class of histamine analogues characterized by a 3, 3-diphenylpropyl substituent at the 2-position of the imidazole nucleus has been prepared outgoing from 4,4-diphenylbutyronitrile (4b) via cyclization of the corresponding methyl imidate 5b with 2-oxo-4-phthalimido-1-butyl acetate or 2-oxo-1,4-butandiol in li... aid4490.table aid4490.tbin
4491 5 Title: Differentiation between partial agonists and neutral 5-HT1B antagonists by chemical modulation of 3-[3-(N,N-dimethylamino)propyl]-4-hydroxy- N-[4-(pyridin-4-yl)phenyl]benzamide (GR-55562). Abstract: The synthesis and binding affinity at cloned h5-HT1D, h5-HT1D, and h5-HT1A receptors of 3-[3-(N,N-dimethylamino)propyl]-4-hydroxy- N-[4-(pyridin-4-yl)phenyl]benzamide (2, GR-55562) and four O-methylated analogs are described. The functional activity of these compounds was determined at the h5-... aid4491.table aid4491.tbin
4492 1 Title: 5-HT1B receptor antagonist properties of novel arylpiperazide derivatives of 1-naphthylpiperazine. Abstract: A new series of arylpiperazide derivatives of 1-naphthylpiperazine of general formula 4 has been prepared and evaluated as 5-HT1B antagonists. Binding experiments at cloned human 5-HT1A, 5-HT1B, and 5-HT1D receptors show that these derivatives are potent and selective ligands for 5-HT1B/1D subtypes with increased binding selectivity versus the 5-HT1A receptor when compared to 1-nap... aid4492.table aid4492.tbin
4493 9 Title: 5-HT1B receptor antagonist properties of novel arylpiperazide derivatives of 1-naphthylpiperazine. Abstract: A new series of arylpiperazide derivatives of 1-naphthylpiperazine of general formula 4 has been prepared and evaluated as 5-HT1B antagonists. Binding experiments at cloned human 5-HT1A, 5-HT1B, and 5-HT1D receptors show that these derivatives are potent and selective ligands for 5-HT1B/1D subtypes with increased binding selectivity versus the 5-HT1A receptor when compared to 1-nap... aid4493.table aid4493.tbin
4494 10 Title: 5-HT1B receptor antagonist properties of novel arylpiperazide derivatives of 1-naphthylpiperazine. Abstract: A new series of arylpiperazide derivatives of 1-naphthylpiperazine of general formula 4 has been prepared and evaluated as 5-HT1B antagonists. Binding experiments at cloned human 5-HT1A, 5-HT1B, and 5-HT1D receptors show that these derivatives are potent and selective ligands for 5-HT1B/1D subtypes with increased binding selectivity versus the 5-HT1A receptor when compared to 1-nap... aid4494.table aid4494.tbin
4495 17 Title: Serotonin dimers: application of the bivalent ligand approach to the design of new potent and selective 5-HT(1B/1D) agonists. Abstract: A series of serotonin dimers of formula 4 in which two serotonin moeities are linked together through their 5-hydroxyl residue has been prepared and evaluated as 5-HT(1B/1D) receptor agonists. Binding experiments at cloned human 5-HT(1B), 5-HT(1D), and 5-HT(1A) receptors show that all of these dimers are very potent ligands at 5-HT(1B/1D) receptors with i... aid4495.table aid4495.tbin
4496 3 Title: Dimerization of sumatriptan as an efficient way to design a potent, centrally and orally active 5-HT1B agonist. Abstract: A new bivalent ligand of formula 3 which results from the covalent coupling of two sumatriptan molecules with a p-xylyl spacer at the level of the sulfonamide nitrogen has been prepared and evaluated as a 5-HT1B/1D receptors agonist. In vitro experiments at 5-HT1B human cloned receptors (Ki = 0.64 nM; EC50 = 0.58 nM) and at the level of the contraction of the New Zeala... aid4496.table aid4496.tbin
4497 2 The compound was evaluated for intrinsic activity against human cloned 5-hydroxytryptamine 1B receptor aid4497.table aid4497.tbin
4498 1 The compound was evaluated for intrinsic activity against human cloned 5-hydroxytryptamine 1B receptor; full agonist aid4498.table aid4498.tbin
4499 14 Title: Fluorination of 3-(3-(piperidin-1-yl)propyl)indoles and 3-(3-(piperazin-1-yl)propyl)indoles gives selective human 5-HT1D receptor ligands with improved pharmacokinetic profiles. Abstract: It has previously been reported that a 3-(3-(piperazin-1-yl)propyl)indole series of 5-HT1D receptor ligands have pharmacokinetic advantages over the corresponding 3-(3-(piperidin-1-yl)propyl)indole series and that the reduced pKa of the piperazines compared to the piperidines may be one possible explanat... aid4499.table aid4499.tbin
4500 2 Title: Dimers of 5HT1 ligands preferentially bind to 5HT1B/1D receptor subtypes. Abstract: New dimers of known 5HT1 ligands (5HT, 1-NP or 8-OH-DPAT) have been prepared and evaluated at human cloned 5HT1B, 5HT1D and 5HT1A receptors. Binding experiments show that all these dimers have better affinities at 5HT1B/1D receptors than their corresponding monomeric ligands. Studies of inhibition of the forskolin-stimulated c-AMP formation mediated by the human 5HT1B receptor show that hetero-bivalent lig... aid4500.table aid4500.tbin
4501 2 Title: Dimers of 5HT1 ligands preferentially bind to 5HT1B/1D receptor subtypes. Abstract: New dimers of known 5HT1 ligands (5HT, 1-NP or 8-OH-DPAT) have been prepared and evaluated at human cloned 5HT1B, 5HT1D and 5HT1A receptors. Binding experiments show that all these dimers have better affinities at 5HT1B/1D receptors than their corresponding monomeric ligands. Studies of inhibition of the forskolin-stimulated c-AMP formation mediated by the human 5HT1B receptor show that hetero-bivalent lig... aid4501.table aid4501.tbin
4502 1 Title: Dimers of 5HT1 ligands preferentially bind to 5HT1B/1D receptor subtypes. Abstract: New dimers of known 5HT1 ligands (5HT, 1-NP or 8-OH-DPAT) have been prepared and evaluated at human cloned 5HT1B, 5HT1D and 5HT1A receptors. Binding experiments show that all these dimers have better affinities at 5HT1B/1D receptors than their corresponding monomeric ligands. Studies of inhibition of the forskolin-stimulated c-AMP formation mediated by the human 5HT1B receptor show that hetero-bivalent lig... aid4502.table aid4502.tbin
4503 3 Title: Dimers of 5HT1 ligands preferentially bind to 5HT1B/1D receptor subtypes. Abstract: New dimers of known 5HT1 ligands (5HT, 1-NP or 8-OH-DPAT) have been prepared and evaluated at human cloned 5HT1B, 5HT1D and 5HT1A receptors. Binding experiments show that all these dimers have better affinities at 5HT1B/1D receptors than their corresponding monomeric ligands. Studies of inhibition of the forskolin-stimulated c-AMP formation mediated by the human 5HT1B receptor show that hetero-bivalent lig... aid4503.table aid4503.tbin
4504 13 Title: Fluorination of 3-(3-(piperidin-1-yl)propyl)indoles and 3-(3-(piperazin-1-yl)propyl)indoles gives selective human 5-HT1D receptor ligands with improved pharmacokinetic profiles. Abstract: It has previously been reported that a 3-(3-(piperazin-1-yl)propyl)indole series of 5-HT1D receptor ligands have pharmacokinetic advantages over the corresponding 3-(3-(piperidin-1-yl)propyl)indole series and that the reduced pKa of the piperazines compared to the piperidines may be one possible explanat... aid4504.table aid4504.tbin
4505 1 Title: Fluorination of 3-(3-(piperidin-1-yl)propyl)indoles and 3-(3-(piperazin-1-yl)propyl)indoles gives selective human 5-HT1D receptor ligands with improved pharmacokinetic profiles. Abstract: It has previously been reported that a 3-(3-(piperazin-1-yl)propyl)indole series of 5-HT1D receptor ligands have pharmacokinetic advantages over the corresponding 3-(3-(piperidin-1-yl)propyl)indole series and that the reduced pKa of the piperazines compared to the piperidines may be one possible explanat... aid4505.table aid4505.tbin
4506 10 Title: 5-HT1B receptor antagonist properties of novel arylpiperazide derivatives of 1-naphthylpiperazine. Abstract: A new series of arylpiperazide derivatives of 1-naphthylpiperazine of general formula 4 has been prepared and evaluated as 5-HT1B antagonists. Binding experiments at cloned human 5-HT1A, 5-HT1B, and 5-HT1D receptors show that these derivatives are potent and selective ligands for 5-HT1B/1D subtypes with increased binding selectivity versus the 5-HT1A receptor when compared to 1-nap... aid4506.table aid4506.tbin
4507 15 Title: 4-Hydroxy-1-[3-(5-(1,2,4-triazol-4-yl)-1H-indol-3-yl)propyl]piperidines: selective h5-HT1D agonists for the treatment of migraine. Abstract: A series of 4-hydroxy-1-[3-(5-(1,2,4-triazol-4-yl)-1H-indol-3-yl)propyl] piperidines was investigated as potential selective h5-HT1D agonists for the treatment of migraine. The 4-[(N-benzyl-N-methyl)amino]methyl analog 12a was found to be a full agonist at the h5-HT1D receptor with good binding selectivity over the h5-HT1B receptor. aid4507.table aid4507.tbin
4508 4 Title: Synthesis and serotonergic activity of 3-[2-(pyrrolidin-1-yl)ethyl]indoles: potent agonists for the h5-HT1D receptor with high selectivity over the h5-HT1B receptor. Abstract: The design, synthesis, and biological evaluation of a novel series of 3-[2-(pyrrolidin-1-yl)ethyl]indoles with excellent selectivity for h5-HT1D (formerly 5-HT1Dalpha) receptors over h5-HT1B (formerly 5-HT1Dbeta) receptors are described. Clinically effective antimigraine drugs such as Sumatriptan show little selecti... aid4508.table aid4508.tbin
4509 2 Title: From hit to lead. Analyzing structure-profile relationships. Abstract: Two compounds, obtained by random screening, and displaying micromolar activities on the mu opiate receptor were used as starting points for optimization. In that work, the traditional concept of the activity of a compound (related to one or a few targets) was extended to the comprehensive pharmacological profile of that compound on more than 70 receptors, transporters, and channels relevant to a CNS-oriented project. ... aid4509.table aid4509.tbin
4510 13 Title: Selective, orally active 5-HT1D receptor agonists as potential antimigraine agents. aid4510.table aid4510.tbin
4511 19 Title: 3-[2-(Pyrrolidin-1-yl)ethyl]indoles and 3-[3-(piperidin-1-yl)propyl]indoles: agonists for the h5-HT1D receptor with high selectivity over the h5-HT1B subtype. aid4511.table aid4511.tbin
4512 2 Title: Selective, orally active 5-HT1D receptor agonists as potential antimigraine agents. aid4512.table aid4512.tbin
4513 61 Title: 3-[3-(Piperidin-1-yl)propyl]indoles as highly selective h5-HT(1D) receptor agonists. Abstract: Several 5-HT(1D/1B) receptor agonists are now entering the marketplace as treatments for migraine. This paper describes the development of selective h5-HT(1D) receptor agonists as potential antimigraine agents which may produce fewer side effects. A series of 3-[3-(piperidin-1-yl)propyl]indoles has been synthesized which has led to the identification of 80 (L-772,405), a high-affinity h5-HT(1D) ... aid4513.table aid4513.tbin
4514 20 Title: 3-[3-(Piperidin-1-yl)propyl]indoles as highly selective h5-HT(1D) receptor agonists. Abstract: Several 5-HT(1D/1B) receptor agonists are now entering the marketplace as treatments for migraine. This paper describes the development of selective h5-HT(1D) receptor agonists as potential antimigraine agents which may produce fewer side effects. A series of 3-[3-(piperidin-1-yl)propyl]indoles has been synthesized which has led to the identification of 80 (L-772,405), a high-affinity h5-HT(1D) ... aid4514.table aid4514.tbin
4515 42 Title: Synthesis and serotonergic activity of 3-[2-(pyrrolidin-1-yl)ethyl]indoles: potent agonists for the h5-HT1D receptor with high selectivity over the h5-HT1B receptor. Abstract: The design, synthesis, and biological evaluation of a novel series of 3-[2-(pyrrolidin-1-yl)ethyl]indoles with excellent selectivity for h5-HT1D (formerly 5-HT1Dalpha) receptors over h5-HT1B (formerly 5-HT1Dbeta) receptors are described. Clinically effective antimigraine drugs such as Sumatriptan show little selecti... aid4515.table aid4515.tbin
4516 44 Title: 3-(Piperazinylpropyl)indoles: selective, orally bioavailable h5-HT1D receptor agonists as potential antimigraine agents. Abstract: Clinically effective antimigraine drugs such as Sumatriptan have similar affinity at h5-HT1D and h5-HT1B receptors. In the search for a h5-HT1D-selective agonist as an antimigraine agent, a novel series of 3-(propylpiperazinyl)indoles have been synthesized and evaluated at h5-HT1D and h5-HT1B receptors. This class of compounds has provided subnanomolar, fully ... aid4516.table aid4516.tbin
4517 39 Title: Fluorination of 3-(3-(piperidin-1-yl)propyl)indoles and 3-(3-(piperazin-1-yl)propyl)indoles gives selective human 5-HT1D receptor ligands with improved pharmacokinetic profiles. Abstract: It has previously been reported that a 3-(3-(piperazin-1-yl)propyl)indole series of 5-HT1D receptor ligands have pharmacokinetic advantages over the corresponding 3-(3-(piperidin-1-yl)propyl)indole series and that the reduced pKa of the piperazines compared to the piperidines may be one possible explanat... aid4517.table aid4517.tbin
4518 1 Title: 6-Bicyclopiperazinyl-1-arylsulfonylindoles and 6-bicyclopiperidinyl-1-arylsulfonylindoles derivatives as novel, potent, and selective 5-HT6 receptor antagonists. Abstract: A novel series of 6-bicyclopiperazinyl-1-arylsulfonylindoles and 6-bicyclopiperidinyl-1-arylsulfonylindoles derivatives was synthesized and found to be potent and selective 5-HT6 receptor antagonists. aid4518.table aid4518.tbin
4519 1 Title: The selective 5-HT1B receptor inverse agonist 1'-methyl-5-[[2'-methyl-4'-(5-methyl-1,2, 4-oxadiazol-3-yl)biphenyl-4-yl]carbonyl]-2,3,6,7-tetrahydro- spiro[furo[2,3-f]indole-3,4'-piperidine] (SB-224289) potently blocks terminal 5-HT autoreceptor function both in vitro and in vivo. Abstract: 5-HT1 receptors are members of the G-protein-coupled receptor superfamily and are negatively linked to adenylyl cyclase activity. The human 5-HT1B and 5-HT1D receptors (previously known as 5-HT1Dbeta an... aid4519.table aid4519.tbin
4520 1 Title: Benzylimidazolines as h5-HT1B/1D serotonin receptor ligands: a structure-affinity investigation. Abstract: Benzylimidazolines may represent a class of 5-HT1D ligands that has yet to be exploited. On the basis of a previous report that the 2-(substituted-benzyl)imidazoline alpha-adrenergic agonist oxymetazoline (8) binds with high affinity at calf brain 5-HT1D receptors, we explored the structure-affinity relationships of a series of related derivatives. Each of the aromatic substituents w... aid4520.table aid4520.tbin
4521 5 Title: Benzylimidazolines as h5-HT1B/1D serotonin receptor ligands: a structure-affinity investigation. Abstract: Benzylimidazolines may represent a class of 5-HT1D ligands that has yet to be exploited. On the basis of a previous report that the 2-(substituted-benzyl)imidazoline alpha-adrenergic agonist oxymetazoline (8) binds with high affinity at calf brain 5-HT1D receptors, we explored the structure-affinity relationships of a series of related derivatives. Each of the aromatic substituents w... aid4521.table aid4521.tbin
4522 1 Title: New 1-aryl-3-(4-arylpiperazin-1-yl)propane derivatives, with dual action at 5-HT1A serotonin receptors and serotonin transporter, as a new class of antidepressants. Abstract: In a search toward new and efficient antidepressants, 1-aryl-3-(4-arylpiperazin-1-yl)propane derivatives were designed, synthesized, and evaluated for 5-HT reuptake inhibition and 5-HT1A receptor antagonism. This dual pharmacological profile should lead, in principle, to a rapid and pronounced enhancement in serotoni... aid4522.table aid4522.tbin
4523 2 Title: New 1-aryl-3-(4-arylpiperazin-1-yl)propane derivatives, with dual action at 5-HT1A serotonin receptors and serotonin transporter, as a new class of antidepressants. Abstract: In a search toward new and efficient antidepressants, 1-aryl-3-(4-arylpiperazin-1-yl)propane derivatives were designed, synthesized, and evaluated for 5-HT reuptake inhibition and 5-HT1A receptor antagonism. This dual pharmacological profile should lead, in principle, to a rapid and pronounced enhancement in serotoni... aid4523.table aid4523.tbin
4524 1 Title: Discovery of 4-[3-(trans-3-dimethylaminocyclobutyl)-1H-indol-5-ylmethyl]-(4S)-oxazolidin-2-one (4991W93), a 5HT(1B/1D) receptor partial agonist and a potent inhibitor of electrically induced plasma extravasation. Abstract: Utilizing a pharmacophoric model of binding of 3-(2-aminoethyl)indoles to 5HT(1B/1D) receptors, we identified the 3-aminocyclobutyl group as a potential ethylamine isostere. A novel multidimensional chemometric approach was used to predict the intrinsic activity (degree... aid4524.table aid4524.tbin
4525 10 Inhibitory activity against 5-hydroxytryptamine 1D receptor subtype aid4525.table aid4525.tbin
4526 2 Title: Development of a presynaptic 5-HT1A antagonist. Abstract: A new 5-HT(1A) silent antagonist 14 (5-HT(1A) IC(50)=2.2 nM) antagonizes the effects of agonists on reciprocal forepaw treading behavior, on neuronal firing in the rat dorsal raphe, and on 5-HT(1A) release in the raphe and hippocampus. While 14 alone was inactive in the social interaction paradigm, it completely reversed the social interaction activity of the serotonergic compounds (buspirone, 1, and 2). aid4526.table aid4526.tbin
4527 2 Title: Binding of O-alkyl derivatives of serotonin at human 5-HT1D beta receptors. Abstract: In humans, 5-HT1D serotonin receptors represent terminal autoreceptors, and there is some evidence that 5-HT1D ligands may be useful in the treatment of migraine. The most widely used 5-HT1D agonist is sumatriptan; however, this agent reportedly displays little selectivity for 5-HT1D versus 5-HT1A receptors. To identify novel serotonergic agents with enhanced 5-HT1D versus 5-HT1A selectivity, we attempte... aid4527.table aid4527.tbin
4528 34 Ability to bind to 5-hydroxytryptamine 1D receptor of calf substantia nigra aid4528.table aid4528.tbin
4529 2 Title: Synthesis and serotonergic activity of substituted 2, N-benzylcarboxamido-5-(2-ethyl-1-dioxoimidazolidinyl)-N, N-dimethyltryptamine derivatives: novel antagonists for the vascular 5-HT(1B)-like receptor. Abstract: The synthesis and vascular 5-HT(1B)-like receptor activity of a novel series of substituted 2, N-benzylcarboxamido-5-(2-ethyl-1-dioxoimidazolidinyl)-N, N-dimethyltryptamine derivatives are described. Modifications to the 5-ethylene-linked heterocycle and to substituents on the 2... aid4529.table aid4529.tbin
4530 1 Title: 1-(2-Aminoethyl)-3-methyl-8,9-dihydropyrano[3,2-e]indole: a rotationally restricted phenolic analog of the neurotransmitter serotonin and agonist selective for serotonin (5-HT2-type) receptors. Abstract: A series of rotationally restricted phenolic analogs of the neurotransmitter serotonin has been synthesized with the 5-hydroxyindole portion of serotonin replaced by a dihydropyrano[3,2-e]-indole (1, 3, 4, and 5) and a dihydropyrano[2,3-f]indole (2). The receptor binding profile of these ... aid4530.table aid4530.tbin
4531 5 Title: 1-(2-Aminoethyl)-3-methyl-8,9-dihydropyrano[3,2-e]indole: a rotationally restricted phenolic analog of the neurotransmitter serotonin and agonist selective for serotonin (5-HT2-type) receptors. Abstract: A series of rotationally restricted phenolic analogs of the neurotransmitter serotonin has been synthesized with the 5-hydroxyindole portion of serotonin replaced by a dihydropyrano[3,2-e]-indole (1, 3, 4, and 5) and a dihydropyrano[2,3-f]indole (2). The receptor binding profile of these ... aid4531.table aid4531.tbin
4532 5 Title: 3-(1,2,5,6-Tetrahydropyrid-4-yl)pyrrolo[3,2-b]pyrid-5-one: a potent and selective serotonin (5-HT1B) agonist and rotationally restricted phenolic analogue of 5-methoxy-3-(1,2,5,6-tetrahydropyrid-4-yl)indole. Abstract: The synthesis and in vitro and in vivo characteristics of 3-(1,2,5,6-tetrahydropyrid-4-yl)pyrrolo[3,2-b]pyrid-5-one (1, CP-93,129) are described. This rotationally restricted phenolic analogue of RU-24,969 is a potent (15 nM) and selective (200x vs the 5-HT1A receptor, 150x ... aid4532.table aid4532.tbin
4533 1 Title: 3-(1,2,5,6-Tetrahydropyrid-4-yl)pyrrolo[3,2-b]pyrid-5-one: a potent and selective serotonin (5-HT1B) agonist and rotationally restricted phenolic analogue of 5-methoxy-3-(1,2,5,6-tetrahydropyrid-4-yl)indole. Abstract: The synthesis and in vitro and in vivo characteristics of 3-(1,2,5,6-tetrahydropyrid-4-yl)pyrrolo[3,2-b]pyrid-5-one (1, CP-93,129) are described. This rotationally restricted phenolic analogue of RU-24,969 is a potent (15 nM) and selective (200x vs the 5-HT1A receptor, 150x ... aid4533.table aid4533.tbin
4534 3 Tested in vitro for receptor binding affinity to 5-hydroxytryptamine 1D receptor in bovine caudate using [3H]5-HT radioligand aid4534.table aid4534.tbin
4535 1 Tested in vitro for receptor binding affinity to 5-hydroxytryptamine 1D receptor in bovine caudate using [3H]5-HT radioligand; NT means not tested aid4535.table aid4535.tbin
4536 1 Title: Synthesis and pharmacological testing of 1,2,3,4,10,14b-hexahydro-6-methoxy-2-methyldibenzo[c,f]pyrazino[1,2-a]azepin and its enantiomers in comparison with the two antidepressants mianserin and mirtazapine. Abstract: The synthesis and resolution of 1,2,3,4,10,14b-hexahydro-6-methoxy-2-methyldibenzo[c,f]pyrazino[1,2-a]azepin (6-methoxymianserin, 6) are described. Furthermore, the in vitro and in vivo effects of 6 and its enantiomers are presented. 6 displayed high affinity for the 5-HT2A/... aid4536.table aid4536.tbin
4537 1 Title: Analogues of the 5-HT1A serotonin antagonist 1-(2-methoxyphenyl)-4-[4-(2-phthalimido)butyl]piperazine with reduced alpha 1-adrenergic affinity. Abstract: 1-(2-Methoxyphenyl)-4-[4-(2-phthalimido)butyl]piperazine (NAN-190; 1a) is a putative postsynaptic 5-HT1A serotonin antagonist. This high affinity ligand (Ki = 0.6 nM), although selective for 5-HT1A versus other 5-HT receptors, binds with nearly equal affinity at alpha 1-adrenergic receptors (Ki = 0.8 nm). Structure-affinity relationship ... aid4537.table aid4537.tbin
4538 6 Title: Binding of O-alkyl derivatives of serotonin at human 5-HT1D beta receptors. Abstract: In humans, 5-HT1D serotonin receptors represent terminal autoreceptors, and there is some evidence that 5-HT1D ligands may be useful in the treatment of migraine. The most widely used 5-HT1D agonist is sumatriptan; however, this agent reportedly displays little selectivity for 5-HT1D versus 5-HT1A receptors. To identify novel serotonergic agents with enhanced 5-HT1D versus 5-HT1A selectivity, we attempte... aid4538.table aid4538.tbin
4539 4 Title: 5-HT1 and 5-HT2 binding profiles of the serotonergic agents alpha-methylserotonin and 2-methylserotonin. Abstract: alpha-Methyl-5-hydroxytryptamine (alpha-Me-5-HT; 2) and 2-methyl-5-hydroxytryptamine (2-Me-5-HT; 3) are considered to be 5-HT2-selective and 5-HT3-selective agents, respectively. These agents were synthesized and examined at serotonin (5-HT) binding sites because there is relatively little documentation as to their selectivity and because they have not been previously examine... aid4539.table aid4539.tbin
4540 2 Title: Synthesis and pharmacological testing of 1,2,3,4,10,14b-hexahydro-6-methoxy-2-methyldibenzo[c,f]pyrazino[1,2-a]azepin and its enantiomers in comparison with the two antidepressants mianserin and mirtazapine. Abstract: The synthesis and resolution of 1,2,3,4,10,14b-hexahydro-6-methoxy-2-methyldibenzo[c,f]pyrazino[1,2-a]azepin (6-methoxymianserin, 6) are described. Furthermore, the in vitro and in vivo effects of 6 and its enantiomers are presented. 6 displayed high affinity for the 5-HT2A/... aid4540.table aid4540.tbin
4541 3 Title: Synthesis and pharmacological testing of 1,2,3,4,10,14b-hexahydro-6-methoxy-2-methyldibenzo[c,f]pyrazino[1,2-a]azepin and its enantiomers in comparison with the two antidepressants mianserin and mirtazapine. Abstract: The synthesis and resolution of 1,2,3,4,10,14b-hexahydro-6-methoxy-2-methyldibenzo[c,f]pyrazino[1,2-a]azepin (6-methoxymianserin, 6) are described. Furthermore, the in vitro and in vivo effects of 6 and its enantiomers are presented. 6 displayed high affinity for the 5-HT2A/... aid4541.table aid4541.tbin
4542 1 Title: (+)-cis-4,5,7a,8,9,10,11,11a-octahydro-7H-10-methylindolo[1,7- bc][2,6]-naphthyridine: a 5-HT2C/2B receptor antagonist with low 5-HT2A receptor affinity. Abstract: The indolonaphthyridine 8 is described as a selective 5-HT2C/2B vs 5-HT2A receptor antagonist. The compound was synthesized in seven steps starting from indoline and isonicotinic acid chloride. The key step is a photocyclization of the indolinyl tetrahydropyridinocarbamic acid ethyl ester 4 to the cis-octahydroindolo[1, 7-bc][2... aid4542.table aid4542.tbin
4543 1 Title: (+)-cis-4,5,7a,8,9,10,11,11a-octahydro-7H-10-methylindolo[1,7- bc][2,6]-naphthyridine: a 5-HT2C/2B receptor antagonist with low 5-HT2A receptor affinity. Abstract: The indolonaphthyridine 8 is described as a selective 5-HT2C/2B vs 5-HT2A receptor antagonist. The compound was synthesized in seven steps starting from indoline and isonicotinic acid chloride. The key step is a photocyclization of the indolinyl tetrahydropyridinocarbamic acid ethyl ester 4 to the cis-octahydroindolo[1, 7-bc][2... aid4543.table aid4543.tbin
4544 2 Title: The serotonin 5-HT4 receptor. 2. Structure-activity studies of the indole carbazimidamide class of agonists. Abstract: A number of substituted indole carbazimidamides were prepared and evaluated as 5-HT4 receptor agonists by using the isolated field-stimulated guinea pig ileum preparation. Their selectivity for the 5-HT4 receptor was established by examining their affinity for other 5-HT receptors using radioligand-binding techniques. Several selective and highly potent full as well as pa... aid4544.table aid4544.tbin
4545 1 Title: A novel series of 2,5-substituted tryptamine derivatives as vascular 5HT1B/1D receptor antagonists. Abstract: The design, synthesis, and activity of a novel series of 2,5-substituted tryptamine derivatives at vascular 5HT1B-like receptors is described. Several important auxiliary binding sites of the 5HT1B-like receptor have been proposed following various modifications to the 2-substituent and especially to the methylene- or ethylene-linked 5-side chain. Careful design of new molecules b... aid4545.table aid4545.tbin
4546 2 Title: The serotonin 5-HT4 receptor. 2. Structure-activity studies of the indole carbazimidamide class of agonists. Abstract: A number of substituted indole carbazimidamides were prepared and evaluated as 5-HT4 receptor agonists by using the isolated field-stimulated guinea pig ileum preparation. Their selectivity for the 5-HT4 receptor was established by examining their affinity for other 5-HT receptors using radioligand-binding techniques. Several selective and highly potent full as well as pa... aid4546.table aid4546.tbin
4547 2 Title: The serotonin 5-HT4 receptor. 2. Structure-activity studies of the indole carbazimidamide class of agonists. Abstract: A number of substituted indole carbazimidamides were prepared and evaluated as 5-HT4 receptor agonists by using the isolated field-stimulated guinea pig ileum preparation. Their selectivity for the 5-HT4 receptor was established by examining their affinity for other 5-HT receptors using radioligand-binding techniques. Several selective and highly potent full as well as pa... aid4547.table aid4547.tbin
4548 1 Title: The serotonin 5-HT4 receptor. 2. Structure-activity studies of the indole carbazimidamide class of agonists. Abstract: A number of substituted indole carbazimidamides were prepared and evaluated as 5-HT4 receptor agonists by using the isolated field-stimulated guinea pig ileum preparation. Their selectivity for the 5-HT4 receptor was established by examining their affinity for other 5-HT receptors using radioligand-binding techniques. Several selective and highly potent full as well as pa... aid4548.table aid4548.tbin
4549 7 Title: Isochroman-6-carboxamides as highly selective 5-HT1D agonists: potential new treatment for migraine without cardiovascular side effects. aid4549.table aid4549.tbin
4550 3 Compound was tested for the inhibition of forskolin-stimulated adenylate cyclase at 5-hydroxytryptamine 1D receptor in guinea pig substantia nigra aid4550.table aid4550.tbin
4551 1 Compound was tested for the inhibition of forskolin-stimulated adenylate cyclase at 5-hydroxytryptamine 1D receptor in guinea pig substantia nigra; NT means not tested aid4551.table aid4551.tbin
4552 1 Title: Evolution of a novel series of [(N,N-dimethylamino)propyl]- and piperazinylbenzanilides as the first selective 5-HT1D antagonists. aid4552.table aid4552.tbin
4553 4 Title: Evolution of a novel series of [(N,N-dimethylamino)propyl]- and piperazinylbenzanilides as the first selective 5-HT1D antagonists. aid4553.table aid4553.tbin
4554 1 Title: Evolution of a novel series of [(N,N-dimethylamino)propyl]- and piperazinylbenzanilides as the first selective 5-HT1D antagonists. aid4554.table aid4554.tbin
4555 1 Title: Evolution of a novel series of [(N,N-dimethylamino)propyl]- and piperazinylbenzanilides as the first selective 5-HT1D antagonists. aid4555.table aid4555.tbin
4556 1 Title: Evolution of a novel series of [(N,N-dimethylamino)propyl]- and piperazinylbenzanilides as the first selective 5-HT1D antagonists. aid4556.table aid4556.tbin
4557 4 Title: Synthesis and serotonergic pharmacology of the enantiomers of 3-[(N-methylpyrrolidin-2-yl)methyl]-5-methoxy-1H-indole: discovery of stereogenic differentiation in the aminoethyl side chain of the neurotransmitter serotonin. aid4557.table aid4557.tbin
4558 1 Binding affinity towards guinea pig 5-hydroxytryptamine 1D receptor was determined aid4558.table aid4558.tbin
4559 1 Title: Evolution of a novel series of [(N,N-dimethylamino)propyl]- and piperazinylbenzanilides as the first selective 5-HT1D antagonists. aid4559.table aid4559.tbin
4560 2 Title: Evolution of a novel series of [(N,N-dimethylamino)propyl]- and piperazinylbenzanilides as the first selective 5-HT1D antagonists. aid4560.table aid4560.tbin
4561 1 Title: Evolution of a novel series of [(N,N-dimethylamino)propyl]- and piperazinylbenzanilides as the first selective 5-HT1D antagonists. aid4561.table aid4561.tbin
4562 1 Title: Evolution of a novel series of [(N,N-dimethylamino)propyl]- and piperazinylbenzanilides as the first selective 5-HT1D antagonists. aid4562.table aid4562.tbin
4563 1 Title: N-(1-methyl-5-indolyl)-N'-(3-pyridyl)urea hydrochloride: the first selective 5-HT1C receptor antagonist. aid4563.table aid4563.tbin
4564 1 Title: 5-Methyl-1-(3-pyridylcarbamoyl)-1,2,3,5-tetrahydropyrrolo[2,3-f]indole: a novel 5-HT2C/5-HT2B receptor antagonist with improved affinity, selectivity, and oral activity. Abstract: The preparation of a series of conformationally restricted analogues of indolylurea 1, namely tetrahydropyrroloindoles and tetrahydropyrroloquinolines, is described. The binding affinities of these compounds at 5-HT2A, 5-HT2B, and 5-HT2C receptors were determined. Of these compounds, the 1,2,3,5-tetrahydropyrrol... aid4564.table aid4564.tbin
4565 1 Title: N-[(1-butyl-4-piperidinyl)methyl]-3,4dihydro-2H-[1,3]oxazino[3,2- a]indole10-carboxamide hydrochloride: the first potent and selective 5-HT4 receptor antagonist amide with oral activity. aid4565.table aid4565.tbin
4566 9 Title: Evolution of a novel series of [(N,N-dimethylamino)propyl]- and piperazinylbenzanilides as the first selective 5-HT1D antagonists. aid4566.table aid4566.tbin
4567 1 Title: 3-(1,2,5,6-Tetrahydropyrid-4-yl)pyrrolo[3,2-b]pyrid-5-one: a potent and selective serotonin (5-HT1B) agonist and rotationally restricted phenolic analogue of 5-methoxy-3-(1,2,5,6-tetrahydropyrid-4-yl)indole. Abstract: The synthesis and in vitro and in vivo characteristics of 3-(1,2,5,6-tetrahydropyrid-4-yl)pyrrolo[3,2-b]pyrid-5-one (1, CP-93,129) are described. This rotationally restricted phenolic analogue of RU-24,969 is a potent (15 nM) and selective (200x vs the 5-HT1A receptor, 150x ... aid4567.table aid4567.tbin
4568 1 Title: 2-(Dimethylaminomethyl)-tetrahydroisoxazolopyridobenzazepine derivatives. Synthesis of a new 5-HT(2C) antagonist with potential anxiolytic properties. Abstract: Following the program started at Johnson &amp; Johnson Pharmaceutical Research &amp; Development searching for 5-HT(2A/2C) antagonists, we now report on the synthesis of 2-(dimethylaminomethyl)-2,3,3a,8-tetrahydroisoxazolo[3,2-a]pyrido[3,4-c]-[2]benzazepine and 2-(dimethylaminomethyl)-2,3,3a,8-tetrahydroisoxazolo[3,2-a]pyrido[3,2-... aid4568.table aid4568.tbin
4569 2 Title: Synthesis and serotonergic activity of arylpiperazide derivatives of serotonin: potent agonists for 5-HT1D receptors. Abstract: A series of new arylpiperazide derivatives of serotonin has been prepared and evaluated as 5-HT1D receptor agonists. Binding experiments at cloned human 5-HT1D alpha, 5-HT1D beta, and 5-HT1A receptors show that all the compounds are very potent and selective ligands for 5-HT1D receptor subtypes. Functional activity studies (contraction of the New Zealand white ra... aid4569.table aid4569.tbin
4570 12 Title: 4-Hydroxy-1-[3-(5-(1,2,4-triazol-4-yl)-1H-indol-3-yl)propyl]piperidines: selective h5-HT1D agonists for the treatment of migraine. Abstract: A series of 4-hydroxy-1-[3-(5-(1,2,4-triazol-4-yl)-1H-indol-3-yl)propyl] piperidines was investigated as potential selective h5-HT1D agonists for the treatment of migraine. The 4-[(N-benzyl-N-methyl)amino]methyl analog 12a was found to be a full agonist at the h5-HT1D receptor with good binding selectivity over the h5-HT1B receptor. aid4570.table aid4570.tbin
4571 4 Title: N-Methyl-5-tert-butyltryptamine: A novel, highly potent 5-HT1D receptor agonist. Abstract: It has been observed that reported 5-HT1D receptor agonists have at least one heteroatom (N, O, or S) on the 5-substituent of the indole. This has led to the hypothesis that a 5-substituent capable of participating in hydrogen bonding is critical for conveying high affinity. This article describes the synthesis and biological evaluation of a new series of 5-alkyltryptamine analogues, which does not ... aid4571.table aid4571.tbin
4572 2 Title: Design, synthesis and biological activity of novel dimethyl-[2-[6-substituted-indol-1-yl]-ethyl]-amine as potent, selective, and orally-bioavailable 5-HT(1D) agonists. Abstract: A novel series of highly potent human 5-HT(1D) agonists, dimethyl-[2-[6-substituted-indol-1-yl]-ethyl]-amine, was synthesized. Structure-activity relationship (SAR) investigation revealed 4-[1-(2-dimethylamino-ethyl)-1H-indol-6-yl]-tetrahydro-thiopyran-4-ol, 11b (ALX-2732), as a potent (K(i)=2.4 nM) agonist at the... aid4572.table aid4572.tbin
4573 11 Title: Selective, orally active 5-HT1D receptor agonists as potential antimigraine agents. aid4573.table aid4573.tbin
4574 2 Title: Selective, orally active 5-HT1D receptor agonists as potential antimigraine agents. aid4574.table aid4574.tbin
4575 45 Title: 3-[3-(Piperidin-1-yl)propyl]indoles as highly selective h5-HT(1D) receptor agonists. Abstract: Several 5-HT(1D/1B) receptor agonists are now entering the marketplace as treatments for migraine. This paper describes the development of selective h5-HT(1D) receptor agonists as potential antimigraine agents which may produce fewer side effects. A series of 3-[3-(piperidin-1-yl)propyl]indoles has been synthesized which has led to the identification of 80 (L-772,405), a high-affinity h5-HT(1D) ... aid4575.table aid4575.tbin
4576 1 Title: 3-[3-(Piperidin-1-yl)propyl]indoles as highly selective h5-HT(1D) receptor agonists. Abstract: Several 5-HT(1D/1B) receptor agonists are now entering the marketplace as treatments for migraine. This paper describes the development of selective h5-HT(1D) receptor agonists as potential antimigraine agents which may produce fewer side effects. A series of 3-[3-(piperidin-1-yl)propyl]indoles has been synthesized which has led to the identification of 80 (L-772,405), a high-affinity h5-HT(1D) ... aid4576.table aid4576.tbin
4577 29 Title: Synthesis and serotonergic activity of 3-[2-(pyrrolidin-1-yl)ethyl]indoles: potent agonists for the h5-HT1D receptor with high selectivity over the h5-HT1B receptor. Abstract: The design, synthesis, and biological evaluation of a novel series of 3-[2-(pyrrolidin-1-yl)ethyl]indoles with excellent selectivity for h5-HT1D (formerly 5-HT1Dalpha) receptors over h5-HT1B (formerly 5-HT1Dbeta) receptors are described. Clinically effective antimigraine drugs such as Sumatriptan show little selecti... aid4577.table aid4577.tbin
4578 8 Title: 3-(Piperazinylpropyl)indoles: selective, orally bioavailable h5-HT1D receptor agonists as potential antimigraine agents. Abstract: Clinically effective antimigraine drugs such as Sumatriptan have similar affinity at h5-HT1D and h5-HT1B receptors. In the search for a h5-HT1D-selective agonist as an antimigraine agent, a novel series of 3-(propylpiperazinyl)indoles have been synthesized and evaluated at h5-HT1D and h5-HT1B receptors. This class of compounds has provided subnanomolar, fully ... aid4578.table aid4578.tbin
4579 28 Title: 3-(Piperazinylpropyl)indoles: selective, orally bioavailable h5-HT1D receptor agonists as potential antimigraine agents. Abstract: Clinically effective antimigraine drugs such as Sumatriptan have similar affinity at h5-HT1D and h5-HT1B receptors. In the search for a h5-HT1D-selective agonist as an antimigraine agent, a novel series of 3-(propylpiperazinyl)indoles have been synthesized and evaluated at h5-HT1D and h5-HT1B receptors. This class of compounds has provided subnanomolar, fully ... aid4579.table aid4579.tbin
4580 5 Title: 2,7-diazabicyclo[3.3.0]octanes as novel h5-HT receptor agonists. Abstract: The conformational restriction of a (benzylamino)methyl substituted pyrrolidine to form 2,7-diazabicyclo[3.3.0]octanes has led to a series of compounds with high affinity at the h5-HT1D receptor as well as dramatically increased concentrations in the hepatic portal vein following oral administration. aid4580.table aid4580.tbin
4581 15 Title: 3-[2-(Pyrrolidin-1-yl)ethyl]indoles and 3-[3-(piperidin-1-yl)propyl]indoles: agonists for the h5-HT1D receptor with high selectivity over the h5-HT1B subtype. aid4581.table aid4581.tbin
4582 15 Title: Fluorination of 3-(3-(piperidin-1-yl)propyl)indoles and 3-(3-(piperazin-1-yl)propyl)indoles gives selective human 5-HT1D receptor ligands with improved pharmacokinetic profiles. Abstract: It has previously been reported that a 3-(3-(piperazin-1-yl)propyl)indole series of 5-HT1D receptor ligands have pharmacokinetic advantages over the corresponding 3-(3-(piperidin-1-yl)propyl)indole series and that the reduced pKa of the piperazines compared to the piperidines may be one possible explanat... aid4582.table aid4582.tbin
4583 3 Title: 5-(Nonyloxy)tryptamine: a novel high-affinity 5-HT1D beta serotonin receptor agonist. aid4583.table aid4583.tbin
4584 12 Title: 4-Hydroxy-1-[3-(5-(1,2,4-triazol-4-yl)-1H-indol-3-yl)propyl]piperidines: selective h5-HT1D agonists for the treatment of migraine. Abstract: A series of 4-hydroxy-1-[3-(5-(1,2,4-triazol-4-yl)-1H-indol-3-yl)propyl] piperidines was investigated as potential selective h5-HT1D agonists for the treatment of migraine. The 4-[(N-benzyl-N-methyl)amino]methyl analog 12a was found to be a full agonist at the h5-HT1D receptor with good binding selectivity over the h5-HT1B receptor. aid4584.table aid4584.tbin
4585 4 Title: 3-[3-(Piperidin-1-yl)propyl]indoles as highly selective h5-HT(1D) receptor agonists. Abstract: Several 5-HT(1D/1B) receptor agonists are now entering the marketplace as treatments for migraine. This paper describes the development of selective h5-HT(1D) receptor agonists as potential antimigraine agents which may produce fewer side effects. A series of 3-[3-(piperidin-1-yl)propyl]indoles has been synthesized which has led to the identification of 80 (L-772,405), a high-affinity h5-HT(1D) ... aid4585.table aid4585.tbin
4586 41 Title: 3-[3-(Piperidin-1-yl)propyl]indoles as highly selective h5-HT(1D) receptor agonists. Abstract: Several 5-HT(1D/1B) receptor agonists are now entering the marketplace as treatments for migraine. This paper describes the development of selective h5-HT(1D) receptor agonists as potential antimigraine agents which may produce fewer side effects. A series of 3-[3-(piperidin-1-yl)propyl]indoles has been synthesized which has led to the identification of 80 (L-772,405), a high-affinity h5-HT(1D) ... aid4586.table aid4586.tbin
4587 15 Title: Fluorination of 3-(3-(piperidin-1-yl)propyl)indoles and 3-(3-(piperazin-1-yl)propyl)indoles gives selective human 5-HT1D receptor ligands with improved pharmacokinetic profiles. Abstract: It has previously been reported that a 3-(3-(piperazin-1-yl)propyl)indole series of 5-HT1D receptor ligands have pharmacokinetic advantages over the corresponding 3-(3-(piperidin-1-yl)propyl)indole series and that the reduced pKa of the piperazines compared to the piperidines may be one possible explanat... aid4587.table aid4587.tbin
4588 2 Title: Selective, orally active 5-HT1D receptor agonists as potential antimigraine agents. aid4588.table aid4588.tbin
4589 11 Title: Selective, orally active 5-HT1D receptor agonists as potential antimigraine agents. aid4589.table aid4589.tbin
4590 11 Title: Enhancement of oral absorption in selective 5-HT1D receptor agonists: fluorinated 3-[3-(piperidin-1-yl)propyl]indoles. aid4590.table aid4590.tbin
4591 4 Title: N-Methyl-5-tert-butyltryptamine: A novel, highly potent 5-HT1D receptor agonist. Abstract: It has been observed that reported 5-HT1D receptor agonists have at least one heteroatom (N, O, or S) on the 5-substituent of the indole. This has led to the hypothesis that a 5-substituent capable of participating in hydrogen bonding is critical for conveying high affinity. This article describes the synthesis and biological evaluation of a new series of 5-alkyltryptamine analogues, which does not ... aid4591.table aid4591.tbin
4592 7 Title: 2,7-diazabicyclo[3.3.0]octanes as novel h5-HT receptor agonists. Abstract: The conformational restriction of a (benzylamino)methyl substituted pyrrolidine to form 2,7-diazabicyclo[3.3.0]octanes has led to a series of compounds with high affinity at the h5-HT1D receptor as well as dramatically increased concentrations in the hepatic portal vein following oral administration. aid4592.table aid4592.tbin
4593 15 Title: 4-Hydroxy-1-[3-(5-(1,2,4-triazol-4-yl)-1H-indol-3-yl)propyl]piperidines: selective h5-HT1D agonists for the treatment of migraine. Abstract: A series of 4-hydroxy-1-[3-(5-(1,2,4-triazol-4-yl)-1H-indol-3-yl)propyl] piperidines was investigated as potential selective h5-HT1D agonists for the treatment of migraine. The 4-[(N-benzyl-N-methyl)amino]methyl analog 12a was found to be a full agonist at the h5-HT1D receptor with good binding selectivity over the h5-HT1B receptor. aid4593.table aid4593.tbin
4594 4 Title: Synthesis and serotonergic activity of 3-[2-(pyrrolidin-1-yl)ethyl]indoles: potent agonists for the h5-HT1D receptor with high selectivity over the h5-HT1B receptor. Abstract: The design, synthesis, and biological evaluation of a novel series of 3-[2-(pyrrolidin-1-yl)ethyl]indoles with excellent selectivity for h5-HT1D (formerly 5-HT1Dalpha) receptors over h5-HT1B (formerly 5-HT1Dbeta) receptors are described. Clinically effective antimigraine drugs such as Sumatriptan show little selecti... aid4594.table aid4594.tbin
4595 13 Title: Selective, orally active 5-HT1D receptor agonists as potential antimigraine agents. aid4595.table aid4595.tbin
4596 19 Title: 3-[2-(Pyrrolidin-1-yl)ethyl]indoles and 3-[3-(piperidin-1-yl)propyl]indoles: agonists for the h5-HT1D receptor with high selectivity over the h5-HT1B subtype. aid4596.table aid4596.tbin
4597 2 Title: Selective, orally active 5-HT1D receptor agonists as potential antimigraine agents. aid4597.table aid4597.tbin
4598 19 Title: 3-[3-(Piperidin-1-yl)propyl]indoles as highly selective h5-HT(1D) receptor agonists. Abstract: Several 5-HT(1D/1B) receptor agonists are now entering the marketplace as treatments for migraine. This paper describes the development of selective h5-HT(1D) receptor agonists as potential antimigraine agents which may produce fewer side effects. A series of 3-[3-(piperidin-1-yl)propyl]indoles has been synthesized which has led to the identification of 80 (L-772,405), a high-affinity h5-HT(1D) ... aid4598.table aid4598.tbin
4599 61 Title: 3-[3-(Piperidin-1-yl)propyl]indoles as highly selective h5-HT(1D) receptor agonists. Abstract: Several 5-HT(1D/1B) receptor agonists are now entering the marketplace as treatments for migraine. This paper describes the development of selective h5-HT(1D) receptor agonists as potential antimigraine agents which may produce fewer side effects. A series of 3-[3-(piperidin-1-yl)propyl]indoles has been synthesized which has led to the identification of 80 (L-772,405), a high-affinity h5-HT(1D) ... aid4599.table aid4599.tbin
4600 42 Title: Synthesis and serotonergic activity of 3-[2-(pyrrolidin-1-yl)ethyl]indoles: potent agonists for the h5-HT1D receptor with high selectivity over the h5-HT1B receptor. Abstract: The design, synthesis, and biological evaluation of a novel series of 3-[2-(pyrrolidin-1-yl)ethyl]indoles with excellent selectivity for h5-HT1D (formerly 5-HT1Dalpha) receptors over h5-HT1B (formerly 5-HT1Dbeta) receptors are described. Clinically effective antimigraine drugs such as Sumatriptan show little selecti... aid4600.table aid4600.tbin
4601 6 Title: 3-(Piperazinylpropyl)indoles: selective, orally bioavailable h5-HT1D receptor agonists as potential antimigraine agents. Abstract: Clinically effective antimigraine drugs such as Sumatriptan have similar affinity at h5-HT1D and h5-HT1B receptors. In the search for a h5-HT1D-selective agonist as an antimigraine agent, a novel series of 3-(propylpiperazinyl)indoles have been synthesized and evaluated at h5-HT1D and h5-HT1B receptors. This class of compounds has provided subnanomolar, fully ... aid4601.table aid4601.tbin
4602 13 Title: Enhancement of oral absorption in selective 5-HT1D receptor agonists: fluorinated 3-[3-(piperidin-1-yl)propyl]indoles. aid4602.table aid4602.tbin
4603 38 Title: 3-(Piperazinylpropyl)indoles: selective, orally bioavailable h5-HT1D receptor agonists as potential antimigraine agents. Abstract: Clinically effective antimigraine drugs such as Sumatriptan have similar affinity at h5-HT1D and h5-HT1B receptors. In the search for a h5-HT1D-selective agonist as an antimigraine agent, a novel series of 3-(propylpiperazinyl)indoles have been synthesized and evaluated at h5-HT1D and h5-HT1B receptors. This class of compounds has provided subnanomolar, fully ... aid4603.table aid4603.tbin
4604 39 Title: Fluorination of 3-(3-(piperidin-1-yl)propyl)indoles and 3-(3-(piperazin-1-yl)propyl)indoles gives selective human 5-HT1D receptor ligands with improved pharmacokinetic profiles. Abstract: It has previously been reported that a 3-(3-(piperazin-1-yl)propyl)indole series of 5-HT1D receptor ligands have pharmacokinetic advantages over the corresponding 3-(3-(piperidin-1-yl)propyl)indole series and that the reduced pKa of the piperazines compared to the piperidines may be one possible explanat... aid4604.table aid4604.tbin
4605 1 Title: 6-Bicyclopiperazinyl-1-arylsulfonylindoles and 6-bicyclopiperidinyl-1-arylsulfonylindoles derivatives as novel, potent, and selective 5-HT6 receptor antagonists. Abstract: A novel series of 6-bicyclopiperazinyl-1-arylsulfonylindoles and 6-bicyclopiperidinyl-1-arylsulfonylindoles derivatives was synthesized and found to be potent and selective 5-HT6 receptor antagonists. aid4605.table aid4605.tbin
4606 12 Title: Design, synthesis and biological activity of novel dimethyl-[2-[6-substituted-indol-1-yl]-ethyl]-amine as potent, selective, and orally-bioavailable 5-HT(1D) agonists. Abstract: A novel series of highly potent human 5-HT(1D) agonists, dimethyl-[2-[6-substituted-indol-1-yl]-ethyl]-amine, was synthesized. Structure-activity relationship (SAR) investigation revealed 4-[1-(2-dimethylamino-ethyl)-1H-indol-6-yl]-tetrahydro-thiopyran-4-ol, 11b (ALX-2732), as a potent (K(i)=2.4 nM) agonist at the... aid4606.table aid4606.tbin
4607 8 Title: N-Arylsulfonylindole derivatives as serotonin 5-HT(6) receptor ligands. Abstract: A series of N(1)-arylsulfonyltryptamines were found to be potent ligands of the human serotonin 5-HT(6) receptor with the 5-methoxy-1-benzenesulfonyl analogue (19) having the highest affinity. Additionally, it was discovered that a group such as 3-(3-methoxybenzyl)-1,2,4-oxadiazol-5-yl in the 2-position of the indole ring (43) can replace the arylsulfonyl substituent in the 1-position with no loss of affinit... aid4607.table aid4607.tbin
4608 5 Title: Differentiation between partial agonists and neutral 5-HT1B antagonists by chemical modulation of 3-[3-(N,N-dimethylamino)propyl]-4-hydroxy- N-[4-(pyridin-4-yl)phenyl]benzamide (GR-55562). Abstract: The synthesis and binding affinity at cloned h5-HT1D, h5-HT1D, and h5-HT1A receptors of 3-[3-(N,N-dimethylamino)propyl]-4-hydroxy- N-[4-(pyridin-4-yl)phenyl]benzamide (2, GR-55562) and four O-methylated analogs are described. The functional activity of these compounds was determined at the h5-... aid4608.table aid4608.tbin
4609 6 Title: Synthesis of potent and selective dopamine D(4) antagonists as candidate radioligands. Abstract: A series of dopamine D(4) antagonists was synthesized and evaluated as potential candidates for development as positron emission tomography (PET) radioligands. All new compounds display high affinity and selectivity for the D(4) receptors and compounds 5b, 5d, and 5e were identified as candidates for radioligand development. aid4609.table aid4609.tbin
4610 1 Title: De novo design of a novel oxazolidinone analogue as a potent and selective alpha1A adrenergic receptor antagonist with high oral bioavailability. aid4610.table aid4610.tbin
4611 27 Title: SAR development of a selective 5-HT1D antagonist/serotonin reuptake inhibitor lead using rapid parallel synthesis. Abstract: Incorporation of an SRI (serotonin reuptake inhibitor) pharmacophore into a selective 5-HT(1D) agonist has led to the discovery of a molecule having both 5-HT(1D) antagonist and SRI activity. RPS methodology was used to develop the SAR and identify potential approaches to reduce unwanted adrenergic alpha 1 and dopamine D(2) cross-reactivities. aid4611.table aid4611.tbin
4612 1 Title: N-[3-(2-Dimethylaminoethyl)-2-methyl-1H- indol-5-yl]-4-fluorobenzamide: a potent, selective, and orally active 5-HT(1F) receptor agonist potentially useful for migraine therapy. Abstract: Recent studies have demonstrated that selective 5-HT(1F) receptor agonists inhibit neurogenic dural inflammation, a model of migraine headache, indicating that these compounds may be effective therapies for the treatment of migraine pain. This communication describes the synthesis and discovery of a nove... aid4612.table aid4612.tbin
4613 1 Title: Design and synthesis of novel alpha1a adrenoceptor-selective dihydropyridine antagonists for the treatment of benign prostatic hyperplasia. Abstract: We report the synthesis and evaluation of novel alpha1a adrenoceptor subtype-selective antagonists. Systematic modification of the lipophilic 4,4-diphenylpiperidinyl moiety of the dihydropyridine derivatives 1 and 2 provided several highly selective and potent alpha1a antagonists. From this series, we identified the 4-(methoxycarbonyl)-4-phe... aid4613.table aid4613.tbin
4614 8 Title: Dimers of 5HT1 ligands preferentially bind to 5HT1B/1D receptor subtypes. Abstract: New dimers of known 5HT1 ligands (5HT, 1-NP or 8-OH-DPAT) have been prepared and evaluated at human cloned 5HT1B, 5HT1D and 5HT1A receptors. Binding experiments show that all these dimers have better affinities at 5HT1B/1D receptors than their corresponding monomeric ligands. Studies of inhibition of the forskolin-stimulated c-AMP formation mediated by the human 5HT1B receptor show that hetero-bivalent lig... aid4614.table aid4614.tbin
4615 22 Title: 3-(2-pyrrolidin-1-ylethyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole derivatives as high affinity human 5-HT(1B/1D) ligands. Abstract: A series of 3-(2-pyrrolidin-1-ylethyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole derivatives (2) has been prepared using parallel synthesis techniques, and their structure-activity relationships studied. High affinity human 5-HT(1B/1D) (h5-HT(1B/1D)) ligands have been identified. aid4615.table aid4615.tbin
4616 4 Title: Binding of beta-carbolines at 5-HT(2) serotonin receptors. Abstract: A series of ring-substituted (i.e., methoxy and bromo) 3,4-dihydro- and 1,2,3,4-tetrahydro-beta-carbolines was examined at 5-HT(2A) and 5-HT(2C) serotonin receptors. Whereas most of the methoxy-substituted derivatives typically displayed affinities similar to their unsubstituted parents, certain (particularly 8-substituted) bromo derivatives displayed enhanced affinity. A binding profile was obtained for selected beta-ca... aid4616.table aid4616.tbin
4617 19 Title: (R)-3-(N-methylpyrrolidin-2-ylmethyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole derivatives as high affinity h5-HT1B/1D ligands. Abstract: A series of (R)-3-(N-methylpyrrolidin-2-ylmethyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole derivatives (2) have been prepared using parallel synthesis, and their structure-activity relationship studied. High affinity human 5-HT(1B/1D) (h5-HT(1B/1D)) ligands have been identified. aid4617.table aid4617.tbin
4618 25 Title: Benzylimidazolines as h5-HT1B/1D serotonin receptor ligands: a structure-affinity investigation. Abstract: Benzylimidazolines may represent a class of 5-HT1D ligands that has yet to be exploited. On the basis of a previous report that the 2-(substituted-benzyl)imidazoline alpha-adrenergic agonist oxymetazoline (8) binds with high affinity at calf brain 5-HT1D receptors, we explored the structure-affinity relationships of a series of related derivatives. Each of the aromatic substituents w... aid4618.table aid4618.tbin
4619 1 Title: Benzylimidazolines as h5-HT1B/1D serotonin receptor ligands: a structure-affinity investigation. Abstract: Benzylimidazolines may represent a class of 5-HT1D ligands that has yet to be exploited. On the basis of a previous report that the 2-(substituted-benzyl)imidazoline alpha-adrenergic agonist oxymetazoline (8) binds with high affinity at calf brain 5-HT1D receptors, we explored the structure-affinity relationships of a series of related derivatives. Each of the aromatic substituents w... aid4619.table aid4619.tbin
4620 1 Title: Benzylimidazolines as h5-HT1B/1D serotonin receptor ligands: a structure-affinity investigation. Abstract: Benzylimidazolines may represent a class of 5-HT1D ligands that has yet to be exploited. On the basis of a previous report that the 2-(substituted-benzyl)imidazoline alpha-adrenergic agonist oxymetazoline (8) binds with high affinity at calf brain 5-HT1D receptors, we explored the structure-affinity relationships of a series of related derivatives. Each of the aromatic substituents w... aid4620.table aid4620.tbin
4621 4 Title: 2-Substituted tryptamines: agents with selectivity for 5-HT(6) serotonin receptors. Abstract: Several 2-alkyl-5-methoxytryptamine analogues were designed and prepared as potential 5-HT(6) serotonin agonists. It was found that 5-HT(6) receptors accommodate small alkyl substituents at the indole 2-position and that the resulting compounds can bind with affinities comparable to that of serotonin. In particular, 2-ethyl-5-methoxy-N, N-dimethyltryptamine (8) binds with high affinity at human 5... aid4621.table aid4621.tbin
4622 19 Title: Serotonin dimers: application of the bivalent ligand approach to the design of new potent and selective 5-HT(1B/1D) agonists. Abstract: A series of serotonin dimers of formula 4 in which two serotonin moeities are linked together through their 5-hydroxyl residue has been prepared and evaluated as 5-HT(1B/1D) receptor agonists. Binding experiments at cloned human 5-HT(1B), 5-HT(1D), and 5-HT(1A) receptors show that all of these dimers are very potent ligands at 5-HT(1B/1D) receptors with i... aid4622.table aid4622.tbin
4623 11 Title: Design, synthesis and biological activity of novel dimethyl-[2-[6-substituted-indol-1-yl]-ethyl]-amine as potent, selective, and orally-bioavailable 5-HT(1D) agonists. Abstract: A novel series of highly potent human 5-HT(1D) agonists, dimethyl-[2-[6-substituted-indol-1-yl]-ethyl]-amine, was synthesized. Structure-activity relationship (SAR) investigation revealed 4-[1-(2-dimethylamino-ethyl)-1H-indol-6-yl]-tetrahydro-thiopyran-4-ol, 11b (ALX-2732), as a potent (K(i)=2.4 nM) agonist at the... aid4623.table aid4623.tbin
4624 5 Title: Synthesis of potent and selective dopamine D(4) antagonists as candidate radioligands. Abstract: A series of dopamine D(4) antagonists was synthesized and evaluated as potential candidates for development as positron emission tomography (PET) radioligands. All new compounds display high affinity and selectivity for the D(4) receptors and compounds 5b, 5d, and 5e were identified as candidates for radioligand development. aid4624.table aid4624.tbin
4625 36 Title: Novel potent 5-HT(1F) receptor agonists: structure-activity studies of a series of substituted N-[3-(1-methyl-4-piperidinyl)-1H-pyrrolo[3,2-b]pyridin-5-yl]amides. Abstract: Compound 1a (LY334370), a selective 5-HT(1F) receptor agonist (SSOFRA), inhibited dural inflammation in the neurogenic plasma protein extravasation model of migraine and demonstrated clinical efficacy for the acute treatment of migraine. Although 1a was greater than 100-fold selective over both the 5-HT(1B) and 5-HT(1D... aid4625.table aid4625.tbin
4626 3 Title: Dimerization of sumatriptan as an efficient way to design a potent, centrally and orally active 5-HT1B agonist. Abstract: A new bivalent ligand of formula 3 which results from the covalent coupling of two sumatriptan molecules with a p-xylyl spacer at the level of the sulfonamide nitrogen has been prepared and evaluated as a 5-HT1B/1D receptors agonist. In vitro experiments at 5-HT1B human cloned receptors (Ki = 0.64 nM; EC50 = 0.58 nM) and at the level of the contraction of the New Zeala... aid4626.table aid4626.tbin
4627 15 Title: N-Methyl-5-tert-butyltryptamine: A novel, highly potent 5-HT1D receptor agonist. Abstract: It has been observed that reported 5-HT1D receptor agonists have at least one heteroatom (N, O, or S) on the 5-substituent of the indole. This has led to the hypothesis that a 5-substituent capable of participating in hydrogen bonding is critical for conveying high affinity. This article describes the synthesis and biological evaluation of a new series of 5-alkyltryptamine analogues, which does not ... aid4627.table aid4627.tbin
4628 10 Title: 5-HT1B receptor antagonist properties of novel arylpiperazide derivatives of 1-naphthylpiperazine. Abstract: A new series of arylpiperazide derivatives of 1-naphthylpiperazine of general formula 4 has been prepared and evaluated as 5-HT1B antagonists. Binding experiments at cloned human 5-HT1A, 5-HT1B, and 5-HT1D receptors show that these derivatives are potent and selective ligands for 5-HT1B/1D subtypes with increased binding selectivity versus the 5-HT1A receptor when compared to 1-nap... aid4628.table aid4628.tbin
4629 11 Title: 5-Alkyltryptamine derivatives as highly selective and potent 5-HT1D receptor agonists. Abstract: A series of 5-alkyltryptamines (6) and the corresponding conformationally constrained analogues (8) have been synthesized. The structure activity relationships (SAR) at the 5-position of the indole skeleton and the ethylamine side chain have been studied. Functional activities were assessed using isolated rabbit saphenous vein. Potent, selective ligands were found (6e, Ki 2.5 nM, 5-HT1B/5-HT1D... aid4629.table aid4629.tbin
4630 1 Title: Homoazanicotine: a structure-affinity study for nicotinic acetylcholine (nACh) receptor binding. Abstract: We have recently identified 3-[(1-methyl)-4,5-dihydro-1H-imidazol-2-yl)methyl]pyridine (homoazanicotine, 8) as a novel nicotinic acetylcholinergic (nACh) receptor ligand. In the present investigation, after we determined that 8 binds selectively at nicotinic (K(i) = 7.8 nM) vs muscarinic (K(i) &gt; 10,000 nM) acetylcholinergic receptors, we examined its structure-affinity relationshi... aid4630.table aid4630.tbin
4631 14 Affinity for 5-hydroxytryptamine 1D receptor subtype aid4631.table aid4631.tbin
4632 12 Title: 5-Thienyltryptamine derivatives as serotonin 5-HT1B/1D receptor agonists: potential treatments for migraine. Abstract: A series of 5-(2- or 3-thienyl)tryptamine derivatives (9) has been synthesized and shown to be potent and selective 5-HT1D versus 5-HT1B receptor agonists and, therefore, potential treatments for migraine. aid4632.table aid4632.tbin
4633 1 Title: Novel potent 5-HT(1F) receptor agonists: structure-activity studies of a series of substituted N-[3-(1-methyl-4-piperidinyl)-1H-pyrrolo[3,2-b]pyridin-5-yl]amides. Abstract: Compound 1a (LY334370), a selective 5-HT(1F) receptor agonist (SSOFRA), inhibited dural inflammation in the neurogenic plasma protein extravasation model of migraine and demonstrated clinical efficacy for the acute treatment of migraine. Although 1a was greater than 100-fold selective over both the 5-HT(1B) and 5-HT(1D... aid4633.table aid4633.tbin
4634 11 Title: Novel potent 5-HT(1F) receptor agonists: structure-activity studies of a series of substituted N-[3-(1-methyl-4-piperidinyl)-1H-pyrrolo[3,2-b]pyridin-5-yl]amides. Abstract: Compound 1a (LY334370), a selective 5-HT(1F) receptor agonist (SSOFRA), inhibited dural inflammation in the neurogenic plasma protein extravasation model of migraine and demonstrated clinical efficacy for the acute treatment of migraine. Although 1a was greater than 100-fold selective over both the 5-HT(1B) and 5-HT(1D... aid4634.table aid4634.tbin
4635 3 Title: Design and synthesis of trans-N-[4-[2-(6-cyano-1,2,3, 4-tetrahydroisoquinolin-2-yl)ethyl]cyclohexyl]-4-quinolinecarboxamide (SB-277011): A potent and selective dopamine D(3) receptor antagonist with high oral bioavailability and CNS penetration in the rat. Abstract: A selective dopamine D(3) receptor antagonist offers the potential for an effective antipsychotic therapy, free of the serious side effects of currently available drugs. Using clearance and brain penetration studies as a scree... aid4635.table aid4635.tbin
4636 2 Title: Discovery of 4-[3-(trans-3-dimethylaminocyclobutyl)-1H-indol-5-ylmethyl]-(4S)-oxazolidin-2-one (4991W93), a 5HT(1B/1D) receptor partial agonist and a potent inhibitor of electrically induced plasma extravasation. Abstract: Utilizing a pharmacophoric model of binding of 3-(2-aminoethyl)indoles to 5HT(1B/1D) receptors, we identified the 3-aminocyclobutyl group as a potential ethylamine isostere. A novel multidimensional chemometric approach was used to predict the intrinsic activity (degree... aid4636.table aid4636.tbin
4637 1 Title: Discovery of 4-[3-(trans-3-dimethylaminocyclobutyl)-1H-indol-5-ylmethyl]-(4S)-oxazolidin-2-one (4991W93), a 5HT(1B/1D) receptor partial agonist and a potent inhibitor of electrically induced plasma extravasation. Abstract: Utilizing a pharmacophoric model of binding of 3-(2-aminoethyl)indoles to 5HT(1B/1D) receptors, we identified the 3-aminocyclobutyl group as a potential ethylamine isostere. A novel multidimensional chemometric approach was used to predict the intrinsic activity (degree... aid4637.table aid4637.tbin
4638 38 Title: Fluorination of 3-(3-(piperidin-1-yl)propyl)indoles and 3-(3-(piperazin-1-yl)propyl)indoles gives selective human 5-HT1D receptor ligands with improved pharmacokinetic profiles. Abstract: It has previously been reported that a 3-(3-(piperazin-1-yl)propyl)indole series of 5-HT1D receptor ligands have pharmacokinetic advantages over the corresponding 3-(3-(piperidin-1-yl)propyl)indole series and that the reduced pKa of the piperazines compared to the piperidines may be one possible explanat... aid4638.table aid4638.tbin
4639 5 Title: 2,7-diazabicyclo[3.3.0]octanes as novel h5-HT receptor agonists. Abstract: The conformational restriction of a (benzylamino)methyl substituted pyrrolidine to form 2,7-diazabicyclo[3.3.0]octanes has led to a series of compounds with high affinity at the h5-HT1D receptor as well as dramatically increased concentrations in the hepatic portal vein following oral administration. aid4639.table aid4639.tbin
4640 1 Title: Synthesis and serotonergic activity of N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethylamine and analogues: potent agonists for 5-HT1D receptors. Abstract: The synthesis and the 5-HT receptor activity of a novel series of N,N-dimethyltryptamines substituted in the 5-position with an imidazole, triazole, or tetrazole ring are described. The objective of this work was to identify potent and selective 5-HT1D receptor agonists with high oral bioavailability and low central ner... aid4640.table aid4640.tbin
4641 1 Title: Synthesis and serotonergic activity of N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethylamine and analogues: potent agonists for 5-HT1D receptors. Abstract: The synthesis and the 5-HT receptor activity of a novel series of N,N-dimethyltryptamines substituted in the 5-position with an imidazole, triazole, or tetrazole ring are described. The objective of this work was to identify potent and selective 5-HT1D receptor agonists with high oral bioavailability and low central ner... aid4641.table aid4641.tbin
4642 23 Title: Discovery of 4-[3-(trans-3-dimethylaminocyclobutyl)-1H-indol-5-ylmethyl]-(4S)-oxazolidin-2-one (4991W93), a 5HT(1B/1D) receptor partial agonist and a potent inhibitor of electrically induced plasma extravasation. Abstract: Utilizing a pharmacophoric model of binding of 3-(2-aminoethyl)indoles to 5HT(1B/1D) receptors, we identified the 3-aminocyclobutyl group as a potential ethylamine isostere. A novel multidimensional chemometric approach was used to predict the intrinsic activity (degree... aid4642.table aid4642.tbin
4643 4 Title: Synthesis and structure-activity relationship of 2-(aminoalkyl)-2,3,3a,8-tetrahydrodibenzo[c,f]isoxazolo[2,3-a]azepine derivatives: a novel series of 5-HT(2A/2C) receptor antagonists. Part 1. Abstract: The synthesis of a series of novel 2-(aminoalkyl)-2,3,3a,8-tetrahydrodibenzo[c,f]isoxazolo[2,3-a]azepine derivatives as well as their 5-HT(2A/2C) and H(1) receptor binding affinities are described. The in vivo activity as potential anxiolytics of the synthesised compounds was measured in a ... aid4643.table aid4643.tbin
4644 6 Title: Synthesis and structure-activity relationship of 2-(aminoalkyl)-2,3,3a,8-tetrahydrodibenzo[c,f]isoxazolo[2,3-a]azepine derivatives: a novel series of 5-HT(2A/2C) receptor antagonists. Part 2. Abstract: Following the programme started at Janssen Research Foundation searching for 5-HT(2A/2C) antagonists, we now report on the synthesis of a series of substituted 2-(Dimethylaminomethyl)-2,3,3a,8-tetrahydrodibenzo[c,f]isoxazolo[2,3-a]azepine derivatives. The 5-HT(2A), 5-HT(2C) and H(1) recepto... aid4644.table aid4644.tbin
4645 5 Title: Enhancement of oral absorption in selective 5-HT1D receptor agonists: fluorinated 3-[3-(piperidin-1-yl)propyl]indoles. aid4645.table aid4645.tbin
4646 9 Title: Design and synthesis of trans-N-[4-[2-(6-cyano-1,2,3, 4-tetrahydroisoquinolin-2-yl)ethyl]cyclohexyl]-4-quinolinecarboxamide (SB-277011): A potent and selective dopamine D(3) receptor antagonist with high oral bioavailability and CNS penetration in the rat. Abstract: A selective dopamine D(3) receptor antagonist offers the potential for an effective antipsychotic therapy, free of the serious side effects of currently available drugs. Using clearance and brain penetration studies as a scree... aid4646.table aid4646.tbin
4647 9 Title: Novel (4-piperazin-1-ylquinolin-6-yl) arylsulfonamides with high affinity and selectivity for the 5-HT(6) receptor. Abstract: The discovery of (4-piperazin-1-ylquinolin-6-yl) arylsulfonamides and their binding affinities for a selection of 5-HT and dopamine subreceptors is described. Many compounds show high affinity (pK(i)&gt;8) for the 5-HT(6) receptor and &gt;100-fold selectivity against a range of other receptors. Structure-activity relationships of these compounds are discussed. aid4647.table aid4647.tbin
4648 1 Title: A novel, potent, and selective 5-HT(7) antagonist: (R)-3-(2-(2-(4-methylpiperidin-1-yl)ethyl)pyrrolidine-1-sulfonyl) phen ol (SB-269970). aid4648.table aid4648.tbin
4649 1 Title: A novel, potent, and selective 5-HT(7) antagonist: (R)-3-(2-(2-(4-methylpiperidin-1-yl)ethyl)pyrrolidine-1-sulfonyl) phen ol (SB-269970). aid4649.table aid4649.tbin
4650 1 Title: Identification of a novel series of selective 5-HT7 receptor antagonists. Abstract: Novel 5-HT(7) receptor antagonists containing the benzocycloheptanone core were identified from high throughput screening. Molecular modelling and SAR studies have converted these intractable hits into a more potent, selective and tractable series, exemplified by compound (25), SB-691673. aid4650.table aid4650.tbin
4651 5 Title: A novel, potent, and selective 5-HT(7) antagonist: (R)-3-(2-(2-(4-methylpiperidin-1-yl)ethyl)pyrrolidine-1-sulfonyl) phen ol (SB-269970). aid4651.table aid4651.tbin
4652 3 Title: A novel, potent, and selective 5-HT(7) antagonist: (R)-3-(2-(2-(4-methylpiperidin-1-yl)ethyl)pyrrolidine-1-sulfonyl) phen ol (SB-269970). aid4652.table aid4652.tbin
4653 1 Title: Influence of the 5-HT6 receptor on acetylcholine release in the cortex: pharmacological characterization of 4-(2-bromo-6-pyrrolidin-1-ylpyridine-4-sulfonyl)phenylamine, a potent and selective 5-HT6 receptor antagonist. Abstract: A small series of aryl pyridyl sulfones has been prepared and investigated for its 5-HT(6) receptor binding properties. Thereof, pyrrolidinyl derivative 11 proved to be a very potent (pK(i) 9) and selective 5-HT(6) receptor antagonist. By means of in vivo microdia... aid4653.table aid4653.tbin
4654 3 Title: Influence of the 5-HT6 receptor on acetylcholine release in the cortex: pharmacological characterization of 4-(2-bromo-6-pyrrolidin-1-ylpyridine-4-sulfonyl)phenylamine, a potent and selective 5-HT6 receptor antagonist. Abstract: A small series of aryl pyridyl sulfones has been prepared and investigated for its 5-HT(6) receptor binding properties. Thereof, pyrrolidinyl derivative 11 proved to be a very potent (pK(i) 9) and selective 5-HT(6) receptor antagonist. By means of in vivo microdia... aid4654.table aid4654.tbin
4655 1 Title: Influence of the 5-HT6 receptor on acetylcholine release in the cortex: pharmacological characterization of 4-(2-bromo-6-pyrrolidin-1-ylpyridine-4-sulfonyl)phenylamine, a potent and selective 5-HT6 receptor antagonist. Abstract: A small series of aryl pyridyl sulfones has been prepared and investigated for its 5-HT(6) receptor binding properties. Thereof, pyrrolidinyl derivative 11 proved to be a very potent (pK(i) 9) and selective 5-HT(6) receptor antagonist. By means of in vivo microdia... aid4655.table aid4655.tbin
4656 4 Title: Phenyl benzenesulfonamides are novel and selective 5-HT6 antagonists: identification of N-(2,5-dibromo-3-fluorophenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide (SB-357134). Abstract: Substituted N-phenyl-4-methoxy-3-piperazin-1-ylbenzenesulfonamides and conformationally restricted analogues have been identified as high affinity and selective 5-HT6 antagonists. Compounds from this series had a range of pharmacokinetic profiles in rat and in general there was a correlation between clear... aid4656.table aid4656.tbin
4657 12 Title: The selective 5-HT1B receptor inverse agonist 1'-methyl-5-[[2'-methyl-4'-(5-methyl-1,2, 4-oxadiazol-3-yl)biphenyl-4-yl]carbonyl]-2,3,6,7-tetrahydro- spiro[furo[2,3-f]indole-3,4'-piperidine] (SB-224289) potently blocks terminal 5-HT autoreceptor function both in vitro and in vivo. Abstract: 5-HT1 receptors are members of the G-protein-coupled receptor superfamily and are negatively linked to adenylyl cyclase activity. The human 5-HT1B and 5-HT1D receptors (previously known as 5-HT1Dbeta an... aid4657.table aid4657.tbin
4658 3 Title: 5-Chloro-N-(4-methoxy-3-piperazin-1-yl- phenyl)-3-methyl-2-benzothiophenesulfon- amide (SB-271046): a potent, selective, and orally bioavailable 5-HT6 receptor antagonist. aid4658.table aid4658.tbin
4659 1 Title: SB-656104-A: a novel 5-HT(7) receptor antagonist with improved in vivo properties. Abstract: A focused SAR study around the previously reported selective 5-HT(7) receptor antagonist, SB-269970-A has resulted in the identification of a structurally related analogue having an improved pharmacokinetic profile. Replacement of the phenolic group in SB-269970-A with an indole moiety, and replacement of the piperidinyl 4-methyl group with a heterocyclic ring system proved to be the key changes l... aid4659.table aid4659.tbin
4660 1 Title: (R)-3,N-dimethyl-N-[1-methyl-3-(4-methyl-piperidin-1-yl) propyl]benzenesulfonamide: the first selective 5-HT7 receptor antagonist. aid4660.table aid4660.tbin
4661 5 Title: Bicyclic piperazinylbenzenesulphonamides are potent and selective 5-HT6 receptor antagonists. Abstract: The synthesis of novel 3-(octahydropyrido[1,2-a]pyrazin-2-yl)- and 3-(hexahydropyrrolo[1,2-a]pyrazin-2-yl)phenyl-2-benzo[b]thiophene sulphonamide derivatives 3, (S)-4 and (R)-4 is described. The compounds show high affinity for the 5-HT6 receptor, excellent selectivity against a range of other receptors and good brain penetration. aid4661.table aid4661.tbin
4662 6 Title: Benzylimidazolines as h5-HT1B/1D serotonin receptor ligands: a structure-affinity investigation. Abstract: Benzylimidazolines may represent a class of 5-HT1D ligands that has yet to be exploited. On the basis of a previous report that the 2-(substituted-benzyl)imidazoline alpha-adrenergic agonist oxymetazoline (8) binds with high affinity at calf brain 5-HT1D receptors, we explored the structure-affinity relationships of a series of related derivatives. Each of the aromatic substituents w... aid4662.table aid4662.tbin
4663 6 Title: Benzylimidazolines as h5-HT1B/1D serotonin receptor ligands: a structure-affinity investigation. Abstract: Benzylimidazolines may represent a class of 5-HT1D ligands that has yet to be exploited. On the basis of a previous report that the 2-(substituted-benzyl)imidazoline alpha-adrenergic agonist oxymetazoline (8) binds with high affinity at calf brain 5-HT1D receptors, we explored the structure-affinity relationships of a series of related derivatives. Each of the aromatic substituents w... aid4663.table aid4663.tbin
4664 2 Title: 2-(Dimethylaminomethyl)-tetrahydroisoxazolopyridobenzazepine derivatives. Synthesis of a new 5-HT(2C) antagonist with potential anxiolytic properties. Abstract: Following the program started at Johnson &amp; Johnson Pharmaceutical Research &amp; Development searching for 5-HT(2A/2C) antagonists, we now report on the synthesis of 2-(dimethylaminomethyl)-2,3,3a,8-tetrahydroisoxazolo[3,2-a]pyrido[3,4-c]-[2]benzazepine and 2-(dimethylaminomethyl)-2,3,3a,8-tetrahydroisoxazolo[3,2-a]pyrido[3,2-... aid4664.table aid4664.tbin
4665 1 Title: 2-(Dimethylaminomethyl)-tetrahydroisoxazolopyridobenzazepine derivatives. Synthesis of a new 5-HT(2C) antagonist with potential anxiolytic properties. Abstract: Following the program started at Johnson &amp; Johnson Pharmaceutical Research &amp; Development searching for 5-HT(2A/2C) antagonists, we now report on the synthesis of 2-(dimethylaminomethyl)-2,3,3a,8-tetrahydroisoxazolo[3,2-a]pyrido[3,4-c]-[2]benzazepine and 2-(dimethylaminomethyl)-2,3,3a,8-tetrahydroisoxazolo[3,2-a]pyrido[3,2-... aid4665.table aid4665.tbin
4666 1 Title: 3-(1,2,5,6-Tetrahydropyrid-4-yl)pyrrolo[3,2-b]pyrid-5-one: a potent and selective serotonin (5-HT1B) agonist and rotationally restricted phenolic analogue of 5-methoxy-3-(1,2,5,6-tetrahydropyrid-4-yl)indole. Abstract: The synthesis and in vitro and in vivo characteristics of 3-(1,2,5,6-tetrahydropyrid-4-yl)pyrrolo[3,2-b]pyrid-5-one (1, CP-93,129) are described. This rotationally restricted phenolic analogue of RU-24,969 is a potent (15 nM) and selective (200x vs the 5-HT1A receptor, 150x ... aid4666.table aid4666.tbin
4667 1 Title: 3-(1,2,5,6-Tetrahydropyrid-4-yl)pyrrolo[3,2-b]pyrid-5-one: a potent and selective serotonin (5-HT1B) agonist and rotationally restricted phenolic analogue of 5-methoxy-3-(1,2,5,6-tetrahydropyrid-4-yl)indole. Abstract: The synthesis and in vitro and in vivo characteristics of 3-(1,2,5,6-tetrahydropyrid-4-yl)pyrrolo[3,2-b]pyrid-5-one (1, CP-93,129) are described. This rotationally restricted phenolic analogue of RU-24,969 is a potent (15 nM) and selective (200x vs the 5-HT1A receptor, 150x ... aid4667.table aid4667.tbin
4668 32 Title: 3,4-Dihydro-3-amino-2H-1-benzopyran derivatives as 5-HT1A receptor ligands and potential anxiolytic agents. 1. Synthesis and structure--activity relationship studies. Abstract: A series of 3,4-dihydro-3-amino-2H-1-benzopyran derivatives were prepared in order to determine the necessary structural requirements for good affinity for 5-HT1A receptors and high selectivity versus other receptors. Modifications of the extracyclic amino substituents, the length of the alkyl side chains, and thei... aid4668.table aid4668.tbin
4669 2 Title: Central serotonin receptors as targets for drug research. aid4669.table aid4669.tbin
4670 20 Title: Novel benzothiazolin-2-one and benzoxazin-3-one arylpiperazine derivatives with mixed 5HT1A/D2 affinity as potential atypical antipsychotics. Abstract: Since it was known that 5HT properties (5HT1A agonism or 5HT2A antagonism) combined with D2 antagonism may lead to atypical antipsychotic drugs, a series of 19 benzothiazolin-2-one and benzoxazin-3-one derivatives possessing the arylpiperazine moiety was prepared, and their binding profiles were investigated. All tested compounds displayed... aid4670.table aid4670.tbin
4671 16 Title: 3-amino-3,4-dihydro-2H-1-benzopyran derivatives as 5-HT1A receptor ligands and potential anxiolytic agents. 2. Synthesis and quantitative structure-activity relationship studies of spiro[pyrrolidine- and piperidine-2,3'(2'H)-benzopyrans]. Abstract: In continuation of our work on 3-amino-3,4-dihydro-2H-1-benzopyran derivatives with high affinity for 5-HT1A receptors, we have prepared rigid spirobenzopyran analogues designed from the pharmacophore models of Mellin and selected via a quantit... aid4671.table aid4671.tbin
4672 1 Title: 3-amino-3,4-dihydro-2H-1-benzopyran derivatives as 5-HT1A receptor ligands and potential anxiolytic agents. 2. Synthesis and quantitative structure-activity relationship studies of spiro[pyrrolidine- and piperidine-2,3'(2'H)-benzopyrans]. Abstract: In continuation of our work on 3-amino-3,4-dihydro-2H-1-benzopyran derivatives with high affinity for 5-HT1A receptors, we have prepared rigid spirobenzopyran analogues designed from the pharmacophore models of Mellin and selected via a quantit... aid4672.table aid4672.tbin
4673 19 Title: 5-HT reuptake inhibitors with 5-HT(1B/1D) antagonistic activity: a new approach toward efficient antidepressants. Abstract: As part of our research program toward new, potential antidepressants, a series of unsymmetrical ureas has been prepared and evaluated as 5-HT reuptake inhibitors with 5-HT(1B/1D) antagonistic activities. The design of these compounds was based on coupling of various indole derivatives, previously shown to inhibit 5-HT reuptake, to three different aniline moieties, w... aid4673.table aid4673.tbin
4674 11 Title: 3-(1,2,5,6-Tetrahydropyrid-4-yl)pyrrolo[3,2-b]pyrid-5-one: a potent and selective serotonin (5-HT1B) agonist and rotationally restricted phenolic analogue of 5-methoxy-3-(1,2,5,6-tetrahydropyrid-4-yl)indole. Abstract: The synthesis and in vitro and in vivo characteristics of 3-(1,2,5,6-tetrahydropyrid-4-yl)pyrrolo[3,2-b]pyrid-5-one (1, CP-93,129) are described. This rotationally restricted phenolic analogue of RU-24,969 is a potent (15 nM) and selective (200x vs the 5-HT1A receptor, 150x ... aid4674.table aid4674.tbin
4675 3 Title: 2H-[1]benzopyrano[3,4-b]pyridines: synthesis and activity at central monoamine receptors. Abstract: Two general synthetic approaches to a novel series of 2H-[1]benzopyrano[3,4-b]pyridines are described together with their receptor binding profile at a variety of monoamine receptors in mammalian brain tissue. The biologically active members of this series fall into into one of two broad classes: 3,4,4a,5-tetrahydro-2H-[1]benzopyrano[3,4-b]pyridines or trans-1,3,4,4a,5,10b-hexahydro-2H-[1]b... aid4675.table aid4675.tbin
4676 1 Title: 2H-[1]benzopyrano[3,4-b]pyridines: synthesis and activity at central monoamine receptors. Abstract: Two general synthetic approaches to a novel series of 2H-[1]benzopyrano[3,4-b]pyridines are described together with their receptor binding profile at a variety of monoamine receptors in mammalian brain tissue. The biologically active members of this series fall into into one of two broad classes: 3,4,4a,5-tetrahydro-2H-[1]benzopyrano[3,4-b]pyridines or trans-1,3,4,4a,5,10b-hexahydro-2H-[1]b... aid4676.table aid4676.tbin
4677 2 Title: [[(Arylpiperazinyl)alkyl]thio]thieno[2,3-d]pyrimidinone derivatives as high-affinity, selective 5-HT1A receptor ligands. Abstract: A series of 2-[[(4-aryl-1-piperazinyl)alkyl]thio]thieno[2,3-d]pyrimidin-4 (1H)-one and 3-substituted 2-[[(4-aryl-1-piperazinyl)alky]thio]thieno[2,3-d]pyrimidin-4 (3H)-one derivatives was prepared and evaluated for in vitro 5-HT1A receptor affinity by radioligand binding assays; the selectivity for 5-HT1A receptors rather than alpha 1-adrenoceptors was also exa... aid4677.table aid4677.tbin
4678 8 Title: Synthesis and binding studies of some epibatidine analogues. Abstract: A series of epibatidine analogues and their positional isomers bearing an 8-azabicyclo[3.2.1]octane moiety is described. Some of the compounds, especially those containing 8-azabicyclo[3.2.1]oct-2-ene moiety show high affinity for the nicotinic cholinergic receptor. aid4678.table aid4678.tbin
4679 6 Title: Novel and highly potent 5-HT3 receptor agonists based on a pyrroloquinoxaline structure. Abstract: The synthesis and the biological evaluation of a series of novel pyrroloquinoxaline derivatives are described. In binding studies several compounds proved to be potent and selective 5-HT3 receptor ligands. The most active pyrroloquinoxalines, 11d and 11e, showed a subnanomolar affinity for 5-HT3 receptor and were able to functionally discriminate the central and peripheral 5-HT3 receptor, be... aid4679.table aid4679.tbin
4680 2 Title: 3-(1,2,5,6-Tetrahydropyrid-4-yl)pyrrolo[3,2-b]pyrid-5-one: a potent and selective serotonin (5-HT1B) agonist and rotationally restricted phenolic analogue of 5-methoxy-3-(1,2,5,6-tetrahydropyrid-4-yl)indole. Abstract: The synthesis and in vitro and in vivo characteristics of 3-(1,2,5,6-tetrahydropyrid-4-yl)pyrrolo[3,2-b]pyrid-5-one (1, CP-93,129) are described. This rotationally restricted phenolic analogue of RU-24,969 is a potent (15 nM) and selective (200x vs the 5-HT1A receptor, 150x ... aid4680.table aid4680.tbin
4681 1 Title: Synthesis and structure-activity relationships of N-propyl-N-(4-pyridinyl)-1H-indol-1-amine (besipirdine) and related analogs as potential therapeutic agents for Alzheimer's disease. Abstract: A series of novel N-(4-pyridinyl)-1H-indol-1-amines and other heteroaryl analogs was synthesized and evaluated in tests to determine potential utility for the treatment of Alzheimer's disease. From these compounds, N-propyl-N-(4-pyridinyl)-1H-indol-1-amine (besipirdine, 4c) was selected for clinical... aid4681.table aid4681.tbin
4682 2 Title: Development of a presynaptic 5-HT1A antagonist. Abstract: A new 5-HT(1A) silent antagonist 14 (5-HT(1A) IC(50)=2.2 nM) antagonizes the effects of agonists on reciprocal forepaw treading behavior, on neuronal firing in the rat dorsal raphe, and on 5-HT(1A) release in the raphe and hippocampus. While 14 alone was inactive in the social interaction paradigm, it completely reversed the social interaction activity of the serotonergic compounds (buspirone, 1, and 2). aid4682.table aid4682.tbin
4683 1 Title: Synthesis and biological evaluation of a series of substituted N-alkoxyimides and -amides as potential atypical antipsychotic agents. Abstract: In a continuing program to discover antipsychotic agents with a reduced propensity toward extrapyramidal side-effects, a series of N-alkoxyimides and -amides was prepared. Evaluation of these compounds in vitro revealed affinities for D2, 5HT2 and 5HT1A receptors. Several members of the series displayed a profile indicative of potential antipsycho... aid4683.table aid4683.tbin
4684 1 Title: [[(Arylpiperazinyl)alkyl]thio]thieno[2,3-d]pyrimidinone derivatives as high-affinity, selective 5-HT1A receptor ligands. Abstract: A series of 2-[[(4-aryl-1-piperazinyl)alkyl]thio]thieno[2,3-d]pyrimidin-4 (1H)-one and 3-substituted 2-[[(4-aryl-1-piperazinyl)alky]thio]thieno[2,3-d]pyrimidin-4 (3H)-one derivatives was prepared and evaluated for in vitro 5-HT1A receptor affinity by radioligand binding assays; the selectivity for 5-HT1A receptors rather than alpha 1-adrenoceptors was also exa... aid4684.table aid4684.tbin
4685 3 Title: (S)-N-tert-butyl-3-(4-(2-methoxyphenyl)-piperazin-1-yl)-2-phenylpropanamide [(S)-WAY-100135]: a selective antagonist at presynaptic and postsynaptic 5-HT1A receptors. aid4685.table aid4685.tbin
4686 5 Title: Novel potent and selective central 5-HT3 receptor ligands provided with different intrinsic efficacy. 1. Mapping the central 5-HT3 receptor binding site by arylpiperazine derivatives. Abstract: Synthesis and pharmacological evaluation of a series of condensed quinoline and pyridine derivatives bearing a N-methylpiperazine moiety attached to the 2-position of the quinoline or pyridine nucleus are described. 5-HT receptor binding studies revealed subnanomolar affinity for the 5-HT3 receptor... aid4686.table aid4686.tbin
4687 1 Title: N,N-di-n-propylserotonin: binding at serotonin binding sites and a comparison with 8-hydroxy-2-(di-n-propylamino)tetralin. Abstract: 8-Hydroxy-2-(di-n-propylamino)tetralin (8-OH-DPAT) is a serotonergic agonist with high affinity and selectivity for a particular population of central serotonin (5-HT) binding sites (i.e., 5-HT1A sites). Because the selectivity of 8-OH-DPAT may be due to the terminal amine substituents, the di-n-propyl analogue of 5-HT (i.e., 4) and of 5-methoxytryptamine (i... aid4687.table aid4687.tbin
4688 8 Title: (R)-(+)-2-[[[3-(Morpholinomethyl)-2H-chromen-8-yl]oxy]methyl] morpholine methanesulfonate: a new selective rat 5-hydroxytryptamine1B receptor antagonist. Abstract: In the search for new 5-hydroxytryptamine (5-HT) receptor antagonists it was found that the compound (R)-(+)-2-[[[3-(morpholinomethyl)-2H-chromen-8-yl]oxy] methyl] morpholine methanesulfonate, (R)-25, is a selective rat 5-hydroxytryptamine1B (r5-HT1B) receptor antagonist. The binding profile showed a 13-fold preference for r5-H... aid4688.table aid4688.tbin
4689 17 Title: Activity of aromatic substituted phenylpiperazines lacking affinity for dopamine binding sites in a preclinical test of antipsychotic efficacy. Abstract: Generally, antipsychotic agents are dopamine receptor blocking agents that also block conditioned avoidance responding (CAR) in the rat. Recently, however, both (Q-methoxyphenyl)piperazine (OMPP, 1h) and (m-chlorophenyl)piperazine (MCPP, 1o) have been reported to block conditioned avoidance responding in the rat although neither has dopa... aid4689.table aid4689.tbin
4690 1 Title: Activity of aromatic substituted phenylpiperazines lacking affinity for dopamine binding sites in a preclinical test of antipsychotic efficacy. Abstract: Generally, antipsychotic agents are dopamine receptor blocking agents that also block conditioned avoidance responding (CAR) in the rat. Recently, however, both (Q-methoxyphenyl)piperazine (OMPP, 1h) and (m-chlorophenyl)piperazine (MCPP, 1o) have been reported to block conditioned avoidance responding in the rat although neither has dopa... aid4690.table aid4690.tbin
4691 12 Title: Synthesis and structure activity relationships of cis- and trans-2,3,4,4a,9,9a-hexahydro-1H-indeno[2,1-c]pyridines for 5-HT receptor subtypes. Abstract: A series of cis- and trans-fused hexahydroindeno[2,1-c]pyridines have been prepared and evaluated for affinity and selectivity at the 5-HT1A subtype of the serotonin receptor. Using molecular modeling studies we predicted that the 5-methoxy-trans-fused members of this class would exhibit affinity for this site. In agreement with these pre... aid4691.table aid4691.tbin
4692 2 Title: Novel potent and selective central 5-HT3 receptor ligands provided with different intrinsic efficacy. 2. Molecular basis of the intrinsic efficacy of arylpiperazine derivatives at the central 5-HT3 receptors. Abstract: Novel 5-HT3 receptor ligands were designed and synthesized with the aim of obtaining deeper insight into the molecular basis of the intrinsic efficacy of arylpiperazines interacting with the central 5-HT3 receptor. The newly synthesized compounds and some previously publish... aid4692.table aid4692.tbin
4693 3 Title: Novel potent and selective central 5-HT3 receptor ligands provided with different intrinsic efficacy. 2. Molecular basis of the intrinsic efficacy of arylpiperazine derivatives at the central 5-HT3 receptors. Abstract: Novel 5-HT3 receptor ligands were designed and synthesized with the aim of obtaining deeper insight into the molecular basis of the intrinsic efficacy of arylpiperazines interacting with the central 5-HT3 receptor. The newly synthesized compounds and some previously publish... aid4693.table aid4693.tbin
4694 1 Title: Activity of aromatic substituted phenylpiperazines lacking affinity for dopamine binding sites in a preclinical test of antipsychotic efficacy. Abstract: Generally, antipsychotic agents are dopamine receptor blocking agents that also block conditioned avoidance responding (CAR) in the rat. Recently, however, both (Q-methoxyphenyl)piperazine (OMPP, 1h) and (m-chlorophenyl)piperazine (MCPP, 1o) have been reported to block conditioned avoidance responding in the rat although neither has dopa... aid4694.table aid4694.tbin
4695 1 Title: Analogues of the 5-HT1A serotonin antagonist 1-(2-methoxyphenyl)-4-[4-(2-phthalimido)butyl]piperazine with reduced alpha 1-adrenergic affinity. Abstract: 1-(2-Methoxyphenyl)-4-[4-(2-phthalimido)butyl]piperazine (NAN-190; 1a) is a putative postsynaptic 5-HT1A serotonin antagonist. This high affinity ligand (Ki = 0.6 nM), although selective for 5-HT1A versus other 5-HT receptors, binds with nearly equal affinity at alpha 1-adrenergic receptors (Ki = 0.8 nm). Structure-affinity relationship ... aid4695.table aid4695.tbin
4696 1 Title: Serotonergic properties of spiroxatrine enantiomers. Abstract: The neuroleptic drug spiperone (1) has proven very useful in the characterization of putative serotonin (5-hydroxytryptamine, 5-HT) receptors. Thus, 5-HT1 receptors have been divided into subtypes based on their affinities for 1: 5-HT1A sites have high affinity, while 5-HT1B sites have low affinity. However, the usefulness of 1 for the pharmacological characterization of 5-HT1A sites is limited because of its high affinity for... aid4696.table aid4696.tbin
4697 4 Title: 5-HT1 and 5-HT2 binding profiles of the serotonergic agents alpha-methylserotonin and 2-methylserotonin. Abstract: alpha-Methyl-5-hydroxytryptamine (alpha-Me-5-HT; 2) and 2-methyl-5-hydroxytryptamine (2-Me-5-HT; 3) are considered to be 5-HT2-selective and 5-HT3-selective agents, respectively. These agents were synthesized and examined at serotonin (5-HT) binding sites because there is relatively little documentation as to their selectivity and because they have not been previously examine... aid4697.table aid4697.tbin
4698 3 Title: 5-(Nonyloxy)tryptamine: a novel high-affinity 5-HT1D beta serotonin receptor agonist. aid4698.table aid4698.tbin
4699 25 Title: Central serotonin receptors as targets for drug research. aid4699.table aid4699.tbin
4700 1 Title: Central serotonin receptors as targets for drug research. aid4700.table aid4700.tbin
4701 7 Title: N,N-di-n-propylserotonin: binding at serotonin binding sites and a comparison with 8-hydroxy-2-(di-n-propylamino)tetralin. Abstract: 8-Hydroxy-2-(di-n-propylamino)tetralin (8-OH-DPAT) is a serotonergic agonist with high affinity and selectivity for a particular population of central serotonin (5-HT) binding sites (i.e., 5-HT1A sites). Because the selectivity of 8-OH-DPAT may be due to the terminal amine substituents, the di-n-propyl analogue of 5-HT (i.e., 4) and of 5-methoxytryptamine (i... aid4701.table aid4701.tbin
4702 1 Title: Synthesis and biochemical evaluation of tritium-labeled 1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]oct-3-yl)-1H-indazole-3-carboxa mide, a useful radioligand for 5HT3 receptors. Abstract: The advent of potent, highly selective 5HT3 receptor antagonists has stimulated considerable interest in 5HT3 receptor mediated physiology and pharmacology. To permit detailed biochemical studies regarding interaction of the indazole class of serotonin (5HT) antagonists with 5HT3 receptors in multiple tissu... aid4702.table aid4702.tbin
4703 2 Title: Development of high-affinity 5-HT3 receptor antagonists. Structure-affinity relationships of novel 1,7-annelated indole derivatives. Abstract: On the basis of the structures of ondansetron and GR 65,630, its ring-opened C-linked methylimidazole analogue, novel 1,7-annelated indole derivatives were synthesized as potential 5-HT3 antagonists. Receptor binding studies show that all compounds display a high affinity for the 5-HT3 receptors. In both series annelation results in compounds being... aid4703.table aid4703.tbin
4704 1 Title: Homoazanicotine: a structure-affinity study for nicotinic acetylcholine (nACh) receptor binding. Abstract: We have recently identified 3-[(1-methyl)-4,5-dihydro-1H-imidazol-2-yl)methyl]pyridine (homoazanicotine, 8) as a novel nicotinic acetylcholinergic (nACh) receptor ligand. In the present investigation, after we determined that 8 binds selectively at nicotinic (K(i) = 7.8 nM) vs muscarinic (K(i) &gt; 10,000 nM) acetylcholinergic receptors, we examined its structure-affinity relationshi... aid4704.table aid4704.tbin
4705 10 Binding affinity against 5-hydroxytryptamine 1B receptor in rat striatal membranes using [3H]5-HT as radioligand aid4705.table aid4705.tbin
4706 1 Title: A new arylpiperazine antipsychotic with high D2/D3/5-HT1A/alpha 1A-adrenergic affinity and a low potential for extrapyramidal effects. aid4706.table aid4706.tbin
4707 5 Title: Pyrrole mannich bases as potential antipsychotic agents. Abstract: Recently, we reported on a series of arylpiperazines 4 which exhibit high affinity for the serotonin 5-HT-1A and 5-HT-1B binding sites. Although these compounds interact weakly with dopamine D-1 and D-2 receptors, they are reasonably potent in inhibiting conditioned avoidance responding (CAR) in the rat, an indication of potential antipsychotic activity. Conversion of these arylpiperazines to pyrrole Mannich bases has prov... aid4707.table aid4707.tbin
4708 3 Title: Novel, potent, and selective 5-HT3 receptor antagonists based on the arylpiperazine skeleton: synthesis, structure, biological activity, and comparative molecular field analysis studies. Abstract: Synthesis and pharmacological evaluation of a series of condensed quinoline derivatives bearing a basic nitrogen on piperazine or [(dimethylamino)ethyl]thio moieties attached at the 2-position of the quinoline nucleus are described. 5-HT receptor binding studies revealed, for most of the compoun... aid4708.table aid4708.tbin
4709 2 Title: Novel, potent, and selective 5-HT3 receptor antagonists based on the arylpiperazine skeleton: synthesis, structure, biological activity, and comparative molecular field analysis studies. Abstract: Synthesis and pharmacological evaluation of a series of condensed quinoline derivatives bearing a basic nitrogen on piperazine or [(dimethylamino)ethyl]thio moieties attached at the 2-position of the quinoline nucleus are described. 5-HT receptor binding studies revealed, for most of the compoun... aid4709.table aid4709.tbin
4710 18 Title: Novel, potent, and selective 5-HT3 receptor antagonists based on the arylpiperazine skeleton: synthesis, structure, biological activity, and comparative molecular field analysis studies. Abstract: Synthesis and pharmacological evaluation of a series of condensed quinoline derivatives bearing a basic nitrogen on piperazine or [(dimethylamino)ethyl]thio moieties attached at the 2-position of the quinoline nucleus are described. 5-HT receptor binding studies revealed, for most of the compoun... aid4710.table aid4710.tbin
4711 3 Title: Novel, potent, and selective 5-HT3 receptor antagonists based on the arylpiperazine skeleton: synthesis, structure, biological activity, and comparative molecular field analysis studies. Abstract: Synthesis and pharmacological evaluation of a series of condensed quinoline derivatives bearing a basic nitrogen on piperazine or [(dimethylamino)ethyl]thio moieties attached at the 2-position of the quinoline nucleus are described. 5-HT receptor binding studies revealed, for most of the compoun... aid4711.table aid4711.tbin
4712 5 Title: Graphics computer-aided receptor mapping as a predictive tool for drug design: development of potent, selective, and stereospecific ligands for the 5-HT1A receptor. Abstract: A conformational study of four 5-HT1A (serotonin) receptor ligands ((R-(-)-methiothepin, spiperone, (S)-(-)-propranolol, and buspirone) led to the definition of a pharmacophore and a three-dimensional map of the 5-HT1A antagonist recognition site. These models were used to design new compounds and successfully predic... aid4712.table aid4712.tbin
4713 5 Title: Graphics computer-aided receptor mapping as a predictive tool for drug design: development of potent, selective, and stereospecific ligands for the 5-HT1A receptor. Abstract: A conformational study of four 5-HT1A (serotonin) receptor ligands ((R-(-)-methiothepin, spiperone, (S)-(-)-propranolol, and buspirone) led to the definition of a pharmacophore and a three-dimensional map of the 5-HT1A antagonist recognition site. These models were used to design new compounds and successfully predic... aid4713.table aid4713.tbin
4714 1 Title: Graphics computer-aided receptor mapping as a predictive tool for drug design: development of potent, selective, and stereospecific ligands for the 5-HT1A receptor. Abstract: A conformational study of four 5-HT1A (serotonin) receptor ligands ((R-(-)-methiothepin, spiperone, (S)-(-)-propranolol, and buspirone) led to the definition of a pharmacophore and a three-dimensional map of the 5-HT1A antagonist recognition site. These models were used to design new compounds and successfully predic... aid4714.table aid4714.tbin
4715 1 Title: (+)-cis-4,5,7a,8,9,10,11,11a-octahydro-7H-10-methylindolo[1,7- bc][2,6]-naphthyridine: a 5-HT2C/2B receptor antagonist with low 5-HT2A receptor affinity. Abstract: The indolonaphthyridine 8 is described as a selective 5-HT2C/2B vs 5-HT2A receptor antagonist. The compound was synthesized in seven steps starting from indoline and isonicotinic acid chloride. The key step is a photocyclization of the indolinyl tetrahydropyridinocarbamic acid ethyl ester 4 to the cis-octahydroindolo[1, 7-bc][2... aid4715.table aid4715.tbin
4716 1 Title: Tetrahydrothienopyridylbutyl-tetrahydrobenzindoles: new selective ligands of the 5-HT(7) receptor. Abstract: The synthesis and the affinity for the 5-HT(7) receptor and other receptors of a novel series of fused-ring tetrahydropyridine derivatives are described. Some of the compounds showed high affinity for the 5-HT(7) receptor. Tetrahydrothienopyridylbutyl-tetrahydrobenzindoles and are potent ligands for the 5-HT(7) receptor, with high selectivity over the 5-HT(2) receptor and other rec... aid4716.table aid4716.tbin
4717 14 Title: Synthesis and serotonin receptor affinities of a series of enantiomers of alpha-methyltryptamines: evidence for the binding conformation of tryptamines at serotonin 5-HT1B receptors. Abstract: A procedure for the preparation of optically pure alpha-methyltryptamines (AMTs) from substituted indoles was developed. The key step in the sequence was the reductive amination of substituted indole-2-propanones with the commercially available pure enantiomers of alpha-methylbenzylamine, followed b... aid4717.table aid4717.tbin
4718 34 Title: Characterization of potent and selective antagonists at postsynaptic 5-HT1A receptors in a series of N4-substituted arylpiperazines. Abstract: Benzocycloalkyl and benzocycloalkenyl moities linked, directly or via an alkyl chain, to oxygen-bearing heteroarylpiperazines were synthesized, in an attempt to obtain potent and selective antagonists at postsynaptic 5-HT1A receptors. From the numerous arylpiperazines described in the literature, 1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine (3a) ... aid4718.table aid4718.tbin
4719 1 Title: 2a-[4-(Tetrahydropyridoindol-2-yl)butyl]tetrahydrobenzindole derivatives: new selective antagonists of the 5-hydroxytryptamine7 receptor. Abstract: A series of tetrahydrobenzindoles was prepared, and the affinity of these compounds for the 5-hydroxytryptamine7 (5-HT7) receptor and other receptors was evaluated. Most of the compounds showed high affinity for the 5-HT7 receptor, and 2a-[4-(tetrahydropyridoindol-2-yl)butyl]tetrahydrobenzindole derivatives (26a-j) exhibited high selectivity f... aid4719.table aid4719.tbin
4720 3 Title: Evolution of a novel series of [(N,N-dimethylamino)propyl]- and piperazinylbenzanilides as the first selective 5-HT1D antagonists. aid4720.table aid4720.tbin
4721 2 Title: Pyrroloquinoxaline derivatives as high-affinity and selective 5-HT(3) receptor agonists: synthesis, further structure-activity relationships, and biological studies. Abstract: The synthesis, pharmacological evaluation, and structure-activity relationships (SARs) of a series of novel pyrroloquinoxalines and heteroaromatic-related derivatives are described. The new pyrroloquinoxaline-related ligands were tested in rat cortex, a tissue expressing high density of 5-HT(3) receptors, and on NG1... aid4721.table aid4721.tbin
4722 6 Title: Pyrroloquinoxaline derivatives as high-affinity and selective 5-HT(3) receptor agonists: synthesis, further structure-activity relationships, and biological studies. Abstract: The synthesis, pharmacological evaluation, and structure-activity relationships (SARs) of a series of novel pyrroloquinoxalines and heteroaromatic-related derivatives are described. The new pyrroloquinoxaline-related ligands were tested in rat cortex, a tissue expressing high density of 5-HT(3) receptors, and on NG1... aid4722.table aid4722.tbin
4723 1 Title: New tetrahydrobenzindoles as potent and selective 5-HT(7) antagonists with increased In vitro metabolic stability. Abstract: Chemical modifications of compound 1 (DR4004), a potent, selective antagonist of the 5-HT(7) receptor, were conducted with the aim of improving its metabolic stability. Halogenation of putative sites of oxidative metabolism afforded compounds 7-10, which retained high affinity and selectivity for the 5-HT(7) receptor, and showed increased in vitro metabolic stabilit... aid4723.table aid4723.tbin
4724 1 Title: First tricyclic oximino derivatives as 5-HT3 ligands. Abstract: The design and synthesis of a new type of 5-HT3 ligand with subnanomolar affinity are described. The O-dialkylaminoethyloximinothienopyrrolizine structure was deduced from molecular modeling studies by replacement of an amidine moiety by an oximino one. aid4724.table aid4724.tbin
4725 5 The compound was evaluated for its ability to displace [3H]5-HT from 5-hydroxytryptamine 1B receptor in cellular brain membranes aid4725.table aid4725.tbin
4726 4 Compound was measured for its binding affinity at 5-hydroxytryptamine 1B receptor at a concentration of 100 nM using [125I]CYP as radioligand aid4726.table aid4726.tbin
4727 1 Title: Design, synthesis and biological activity of novel dimethyl-[2-[6-substituted-indol-1-yl]-ethyl]-amine as potent, selective, and orally-bioavailable 5-HT(1D) agonists. Abstract: A novel series of highly potent human 5-HT(1D) agonists, dimethyl-[2-[6-substituted-indol-1-yl]-ethyl]-amine, was synthesized. Structure-activity relationship (SAR) investigation revealed 4-[1-(2-dimethylamino-ethyl)-1H-indol-6-yl]-tetrahydro-thiopyran-4-ol, 11b (ALX-2732), as a potent (K(i)=2.4 nM) agonist at the... aid4727.table aid4727.tbin
4728 1 Title: 1-(Bicyclopiperazinyl)ethylindoles and 1-(homopiperazinyl)ethyl-indoles as highly selective and potent 5-HT(7) receptor ligands. Abstract: A novel series of 1-(bicyclopiperazinyl)ethylindole and 1-(homopiperazinyl)ethyl-indole derivatives was synthesized and found to be potent and selective 5-HT(7) receptor ligands. aid4728.table aid4728.tbin
4729 1 Title: N-phenylphenylglycines as novel corticotropin releasing factor receptor antagonists. Abstract: Screening of a computationally designed synthetic library led to the discovery of the N-phenylphenylglycines (NPPGs) as a novel class of human corticotropin releasing factor (h-CRF(1)) antagonists. Several NPPGs with greater potency than the original hit 1 were rapidly identified, and resolution of the racemate demonstrated that only the R-enantiomer displays activity. This structural class repr... aid4729.table aid4729.tbin
4730 3 Title: Conformationally restricted indolopiperidine derivatives as potent CCR2B receptor antagonists. Abstract: The preparation and biological evaluation of a series of indolopiperidine CCR2B receptor antagonists possessing a conformationally restricted C-5 linker chain in combination with a restricted piperidine ring are described. Compared to the parent compound 1, analogue 8 shows a dramatic improvement in selectivity against a range of 5-HT and dopaminergic receptors. aid4730.table aid4730.tbin
4731 10 Binding affinity towards 5-hydroxytryptamine 1B receptor by displacement of [3H]5-HT. aid4731.table aid4731.tbin
4732 1 Compound was evaluated for the binding affinity towards 5-hydroxytryptamine 1B receptor by displacement of [3H]ketanserin. aid4732.table aid4732.tbin
4733 2 Title: Conformationally restricted indolopiperidine derivatives as potent CCR2B receptor antagonists. Abstract: The preparation and biological evaluation of a series of indolopiperidine CCR2B receptor antagonists possessing a conformationally restricted C-5 linker chain in combination with a restricted piperidine ring are described. Compared to the parent compound 1, analogue 8 shows a dramatic improvement in selectivity against a range of 5-HT and dopaminergic receptors. aid4733.table aid4733.tbin
4734 1 Title: Design and synthesis of novel 2,3-dihydro-1H-isoindoles with high affinity and selectivity for the dopamine D3 receptor. Abstract: Starting from the tetrahydroisoquinoline SB-277011 1, a novel series of 5-substituted-2,3-dihydro-1H-isoindoles has been designed. Subsequent optimisation resulted in identification of 19, which has high affinity for the dopamine D3 receptor (pKi 8.3) and &gt; or = 100-fold selectivity over other aminergic receptors. In rat studies 19 was brain penetrant with ... aid4734.table aid4734.tbin
4735 4 Title: Synthesis and serotonergic pharmacology of the enantiomers of 3-[(N-methylpyrrolidin-2-yl)methyl]-5-methoxy-1H-indole: discovery of stereogenic differentiation in the aminoethyl side chain of the neurotransmitter serotonin. aid4735.table aid4735.tbin
4736 1 Title: Thiazole as a carbonyl bioisostere. A novel class of highly potent and selective 5-HT3 receptor antagonists. Abstract: A novel structural class of highly potent and selective 5-HT3 receptor antagonists is described. The compounds in this new series contain a thiazole moiety linking an aromatic group and a nitrogen-containing basic region; the thiazole group appears to be acting as a carbonyl bioisostere in this system. An optimized member of this series, 4-(2-methoxyphenyl)-2-[[4(5)-methy... aid4736.table aid4736.tbin
4737 1 Title: De novo design of a novel oxazolidinone analogue as a potent and selective alpha1A adrenergic receptor antagonist with high oral bioavailability. aid4737.table aid4737.tbin
4738 2 Title: A novel and selective 5-HT2 receptor agonist with ocular hypotensive activity: (S)-(+)-1-(2-aminopropyl)-8,9-dihydropyrano[3,2-e]indole. Abstract: Serotonin 5-HT2 receptor agonists have recently been shown to be effective in lowering intraocular pressure in nonhuman primates and represent a potential new class of antiglaucoma agents. As part of an effort to identify new selective agonists at this receptor, we have found that (S)-(+)-1-(2-aminopropyl)-8,9-dihydropyrano[3,2-e]indole (AL-373... aid4738.table aid4738.tbin
4739 2 Title: (R)-(+)-2-[[[3-(Morpholinomethyl)-2H-chromen-8-yl]oxy]methyl] morpholine methanesulfonate: a new selective rat 5-hydroxytryptamine1B receptor antagonist. Abstract: In the search for new 5-hydroxytryptamine (5-HT) receptor antagonists it was found that the compound (R)-(+)-2-[[[3-(morpholinomethyl)-2H-chromen-8-yl]oxy] methyl] morpholine methanesulfonate, (R)-25, is a selective rat 5-hydroxytryptamine1B (r5-HT1B) receptor antagonist. The binding profile showed a 13-fold preference for r5-H... aid4739.table aid4739.tbin
4740 2 Title: Development of a presynaptic 5-HT1A antagonist. Abstract: A new 5-HT(1A) silent antagonist 14 (5-HT(1A) IC(50)=2.2 nM) antagonizes the effects of agonists on reciprocal forepaw treading behavior, on neuronal firing in the rat dorsal raphe, and on 5-HT(1A) release in the raphe and hippocampus. While 14 alone was inactive in the social interaction paradigm, it completely reversed the social interaction activity of the serotonergic compounds (buspirone, 1, and 2). aid4740.table aid4740.tbin
4741 1 Title: 1-(2-Aminoethyl)-3-methyl-8,9-dihydropyrano[3,2-e]indole: a rotationally restricted phenolic analog of the neurotransmitter serotonin and agonist selective for serotonin (5-HT2-type) receptors. Abstract: A series of rotationally restricted phenolic analogs of the neurotransmitter serotonin has been synthesized with the 5-hydroxyindole portion of serotonin replaced by a dihydropyrano[3,2-e]-indole (1, 3, 4, and 5) and a dihydropyrano[2,3-f]indole (2). The receptor binding profile of these ... aid4741.table aid4741.tbin
4742 5 Title: 1-(2-Aminoethyl)-3-methyl-8,9-dihydropyrano[3,2-e]indole: a rotationally restricted phenolic analog of the neurotransmitter serotonin and agonist selective for serotonin (5-HT2-type) receptors. Abstract: A series of rotationally restricted phenolic analogs of the neurotransmitter serotonin has been synthesized with the 5-hydroxyindole portion of serotonin replaced by a dihydropyrano[3,2-e]-indole (1, 3, 4, and 5) and a dihydropyrano[2,3-f]indole (2). The receptor binding profile of these ... aid4742.table aid4742.tbin
4743 5 Title: 3-(1,2,5,6-Tetrahydropyrid-4-yl)pyrrolo[3,2-b]pyrid-5-one: a potent and selective serotonin (5-HT1B) agonist and rotationally restricted phenolic analogue of 5-methoxy-3-(1,2,5,6-tetrahydropyrid-4-yl)indole. Abstract: The synthesis and in vitro and in vivo characteristics of 3-(1,2,5,6-tetrahydropyrid-4-yl)pyrrolo[3,2-b]pyrid-5-one (1, CP-93,129) are described. This rotationally restricted phenolic analogue of RU-24,969 is a potent (15 nM) and selective (200x vs the 5-HT1A receptor, 150x ... aid4743.table aid4743.tbin
4744 1 Title: 3-(1,2,5,6-Tetrahydropyrid-4-yl)pyrrolo[3,2-b]pyrid-5-one: a potent and selective serotonin (5-HT1B) agonist and rotationally restricted phenolic analogue of 5-methoxy-3-(1,2,5,6-tetrahydropyrid-4-yl)indole. Abstract: The synthesis and in vitro and in vivo characteristics of 3-(1,2,5,6-tetrahydropyrid-4-yl)pyrrolo[3,2-b]pyrid-5-one (1, CP-93,129) are described. This rotationally restricted phenolic analogue of RU-24,969 is a potent (15 nM) and selective (200x vs the 5-HT1A receptor, 150x ... aid4744.table aid4744.tbin
4745 1 Title: New benzocycloalkylpiperazines, potent and selective 5-HT1A receptor ligands. Abstract: A series of 1-(benzocycloalkyl)-4-(benzamidolkyl)piperazine derivatives was prepared in order to obtain compounds with a high affinity and selectivity for 5-HT1A receptors. The modifications of aromatic substituents, the length of the alkyl chain, and the size of the ring were explored. Most of N-(1,2,3,4-tetrahydronaphthyl)-N'-(benzamidoethyl)piperazines (32-37) were bound to 5-HT1A receptors in a nan... aid4745.table aid4745.tbin
4746 2 Title: Synthesis and pharmacological evaluation of 1-(aminomethyl)-3,4-dihydro-5-hydroxy-1H-2-benzopyrans as dopamine D1 selective ligands. Abstract: A series of 3-substituted 1-(aminomethyl)-3,4-dihydro-5-hydroxy-1H-2- benzopyrans were prepared as potential D1 selective antagonists. The compounds were evaluated for their affinity and selectivity for the D1 receptor as well as for their functional antagonism of D1-mediated pharmacological events. The compounds show potent D1 antagonist propertie... aid4746.table aid4746.tbin
4747 23 Title: Central serotonin receptors as targets for drug research. aid4747.table aid4747.tbin
4748 6 Title: New benzocycloalkylpiperazines, potent and selective 5-HT1A receptor ligands. Abstract: A series of 1-(benzocycloalkyl)-4-(benzamidolkyl)piperazine derivatives was prepared in order to obtain compounds with a high affinity and selectivity for 5-HT1A receptors. The modifications of aromatic substituents, the length of the alkyl chain, and the size of the ring were explored. Most of N-(1,2,3,4-tetrahydronaphthyl)-N'-(benzamidoethyl)piperazines (32-37) were bound to 5-HT1A receptors in a nan... aid4748.table aid4748.tbin
4749 13 Title: Synthesis and serotonergic activity of 5-(oxadiazolyl)tryptamines: potent agonists for 5-HT1D receptors. Abstract: The synthesis and 5-HT1D receptor activity of a novel series of 5-(oxadiazolyl)tryptamines is described. Modifications of the oxadiazole 3-substituent, length of the linking chain (n), and the amine substituents are explored and reveal a large binding pocket in the 5-HT1D receptor domain. Oxadiazole substituents such as benzyl are accommodated without loss of agonist potency ... aid4749.table aid4749.tbin
4750 2 Title: (+/-) 3-Amino-6-carboxamido-1,2,3,4-tetrahydrocarbazole: a conformationally restricted analogue of 5-carboxamidotryptamine with selectivity for the serotonin 5-HT1D receptor. aid4750.table aid4750.tbin
4751 1 Title: Computer-aided design and synthesis of 5-substituted tryptamines and their pharmacology at the 5-HT1D receptor: discovery of compounds with potential anti-migraine properties. Abstract: The design and synthesis of a series of novel 5-substituted tryptamines with pharmacological activity at 5-HT1D and other monoamine receptors is described. Structural modifications of N- and C-linked (principally hydantoin) analogues at the 5-position were synthesized and their pharmacological activities w... aid4751.table aid4751.tbin
4752 1 Tested for the effect on binding at 5-hydroxytryptamine 1C receptor; No activity aid4752.table aid4752.tbin
4753 1 Title: (S)-N-tert-butyl-3-(4-(2-methoxyphenyl)-piperazin-1-yl)-2-phenylpropanamide [(S)-WAY-100135]: a selective antagonist at presynaptic and postsynaptic 5-HT1A receptors. aid4753.table aid4753.tbin
4754 3 Title: (S)-N-tert-butyl-3-(4-(2-methoxyphenyl)-piperazin-1-yl)-2-phenylpropanamide [(S)-WAY-100135]: a selective antagonist at presynaptic and postsynaptic 5-HT1A receptors. aid4754.table aid4754.tbin
4755 31 Title: Ketanserin analogues: structure-affinity relationships for 5-HT2 and 5-HT1C serotonin receptor binding. Abstract: Ketanserin is the prototypic 5-HT2 serotonin antagonist; although it has been an important tool for the study of serotonin pharmacology, it has had relatively little impact on drug design because remarkably little is known about its structure-affinity relationships. Furthermore, ketanserin also binds at 5-HT1C receptors and even less is known about the influence of its structu... aid4755.table aid4755.tbin
4756 6 Title: Synthesis and dopaminergic activity of 3-substituted 1-(aminomethyl)-3,4-dihydro-5,6-dihydroxy-1H-2-benzopyrans: characterization of an auxiliary binding region in the D1 receptor. Abstract: The synthesis and dopaminergic activity of a series of C3 and nitrogen-substituted 1-(aminomethyl)-3,4-dihydro-5,6-dihydroxy-1H-2-benzopyrans (isochromans) is described. The synthesis of the compounds was stereospecific for the 1,3 cis isomer, and the enantioselective synthesis of both enantiomers of ... aid4756.table aid4756.tbin
4757 1 Title: Analogues of the 5-HT1A serotonin antagonist 1-(2-methoxyphenyl)-4-[4-(2-phthalimido)butyl]piperazine with reduced alpha 1-adrenergic affinity. Abstract: 1-(2-Methoxyphenyl)-4-[4-(2-phthalimido)butyl]piperazine (NAN-190; 1a) is a putative postsynaptic 5-HT1A serotonin antagonist. This high affinity ligand (Ki = 0.6 nM), although selective for 5-HT1A versus other 5-HT receptors, binds with nearly equal affinity at alpha 1-adrenergic receptors (Ki = 0.8 nm). Structure-affinity relationship ... aid4757.table aid4757.tbin
4758 4 Title: 5-HT1 and 5-HT2 binding profiles of the serotonergic agents alpha-methylserotonin and 2-methylserotonin. Abstract: alpha-Methyl-5-hydroxytryptamine (alpha-Me-5-HT; 2) and 2-methyl-5-hydroxytryptamine (2-Me-5-HT; 3) are considered to be 5-HT2-selective and 5-HT3-selective agents, respectively. These agents were synthesized and examined at serotonin (5-HT) binding sites because there is relatively little documentation as to their selectivity and because they have not been previously examine... aid4758.table aid4758.tbin
4759 3 Title: Ketanserin analogues: structure-affinity relationships for 5-HT2 and 5-HT1C serotonin receptor binding. Abstract: Ketanserin is the prototypic 5-HT2 serotonin antagonist; although it has been an important tool for the study of serotonin pharmacology, it has had relatively little impact on drug design because remarkably little is known about its structure-affinity relationships. Furthermore, ketanserin also binds at 5-HT1C receptors and even less is known about the influence of its structu... aid4759.table aid4759.tbin
4760 1 Title: Binding of phenylalkylamine derivatives at 5-HT1C and 5-HT2 serotonin receptors: evidence for a lack of selectivity. Abstract: Certain phenylalkylamine derivatives have been considered to bind selectively at 5-HT2 serotonin receptors. It is now recognized that the most widely used derivatives, i.e., 1-(2,5-dimethoxy-4-X-phenyl)-2-aminopropanes where X = Me (DOM), Br (DOB), and I (DOI) (1-3, respectively) also bind at the more recently identified population of serotonin 5-HT1C receptors. T... aid4760.table aid4760.tbin
4761 5 Title: Binding of phenylalkylamine derivatives at 5-HT1C and 5-HT2 serotonin receptors: evidence for a lack of selectivity. Abstract: Certain phenylalkylamine derivatives have been considered to bind selectively at 5-HT2 serotonin receptors. It is now recognized that the most widely used derivatives, i.e., 1-(2,5-dimethoxy-4-X-phenyl)-2-aminopropanes where X = Me (DOM), Br (DOB), and I (DOI) (1-3, respectively) also bind at the more recently identified population of serotonin 5-HT1C receptors. T... aid4761.table aid4761.tbin
4762 28 Title: Binding of phenylalkylamine derivatives at 5-HT1C and 5-HT2 serotonin receptors: evidence for a lack of selectivity. Abstract: Certain phenylalkylamine derivatives have been considered to bind selectively at 5-HT2 serotonin receptors. It is now recognized that the most widely used derivatives, i.e., 1-(2,5-dimethoxy-4-X-phenyl)-2-aminopropanes where X = Me (DOM), Br (DOB), and I (DOI) (1-3, respectively) also bind at the more recently identified population of serotonin 5-HT1C receptors. T... aid4762.table aid4762.tbin
4763 1 Title: Binding of phenylalkylamine derivatives at 5-HT1C and 5-HT2 serotonin receptors: evidence for a lack of selectivity. Abstract: Certain phenylalkylamine derivatives have been considered to bind selectively at 5-HT2 serotonin receptors. It is now recognized that the most widely used derivatives, i.e., 1-(2,5-dimethoxy-4-X-phenyl)-2-aminopropanes where X = Me (DOM), Br (DOB), and I (DOI) (1-3, respectively) also bind at the more recently identified population of serotonin 5-HT1C receptors. T... aid4763.table aid4763.tbin
4764 2 Title: Central serotonin receptors as targets for drug research. aid4764.table aid4764.tbin
4765 1 Title: Synthesis and biochemical evaluation of tritium-labeled 1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]oct-3-yl)-1H-indazole-3-carboxa mide, a useful radioligand for 5HT3 receptors. Abstract: The advent of potent, highly selective 5HT3 receptor antagonists has stimulated considerable interest in 5HT3 receptor mediated physiology and pharmacology. To permit detailed biochemical studies regarding interaction of the indazole class of serotonin (5HT) antagonists with 5HT3 receptors in multiple tissu... aid4765.table aid4765.tbin
4766 25 Title: Antagonism of 1-(2,5-dimethoxy-4-methylphenyl)-2-aminopropane stimulus with a newly identified 5-HT2- versus 5-HT1C-selective antagonist. Abstract: DOM [i.e., 1-(2,5-dimethoxy-4-methylphenyl)-2-aminopropane] is a 5-HT1C/2 serotonin agonist that exerts stimulus control of behavior in animals. In order to determine if the discriminative stimulus effect of DOM is 5-HT1C- or 5-HT2-mediated, it would be informative to conduct tests of stimulus antagonism with a 5-HT1C- or 5-HT2-selective antag... aid4766.table aid4766.tbin
4767 2 Title: Development of high-affinity 5-HT3 receptor antagonists. Structure-affinity relationships of novel 1,7-annelated indole derivatives. Abstract: On the basis of the structures of ondansetron and GR 65,630, its ring-opened C-linked methylimidazole analogue, novel 1,7-annelated indole derivatives were synthesized as potential 5-HT3 antagonists. Receptor binding studies show that all compounds display a high affinity for the 5-HT3 receptors. In both series annelation results in compounds being... aid4767.table aid4767.tbin
4768 1 Title: N-(1-methyl-5-indolyl)-N'-(3-pyridyl)urea hydrochloride: the first selective 5-HT1C receptor antagonist. aid4768.table aid4768.tbin
4769 6 Title: N-(1-methyl-5-indolyl)-N'-(3-pyridyl)urea hydrochloride: the first selective 5-HT1C receptor antagonist. aid4769.table aid4769.tbin
4770 1 Compound was tested for its affinity towards 5-hydroxytryptamine 1C receptor aid4770.table aid4770.tbin
4771 3 Compound was measured for its binding affinity at 5-hydroxytryptamine 1C receptor at a concentration of 100 nM using [3H]mesulergine as radioligand aid4771.table aid4771.tbin
4772 1 Compound was measured for its binding affinity at 5-hydroxytryptamine 1C receptor at a concentration of 100 nM using [3H]mesulergine as radioligand aid4772.table aid4772.tbin
4773 4 Title: Synthesis and serotonergic pharmacology of the enantiomers of 3-[(N-methylpyrrolidin-2-yl)methyl]-5-methoxy-1H-indole: discovery of stereogenic differentiation in the aminoethyl side chain of the neurotransmitter serotonin. aid4773.table aid4773.tbin
4774 1 Compound was tested for its affinity towards 5-hydroxytryptamine 1C receptor aid4774.table aid4774.tbin
4775 1 Title: Substituted hexahydrobenzo[f]thieno[c]quinolines as dopamine D1-selective agonists: synthesis and biological evaluation in vitro and in vivo. Abstract: A series of substituted 9,10-dihydroxyhexahydrobenzo[f]thieno[c]quinolines (TB[f]Q), varying with respect to the position of the thiophene relative to the benzo[f]quinoline core and the nature and position of the substituent on the thiophene, were prepared and evaluated for their affinity and selectivity for the dopamine D1-like receptor. ... aid4775.table aid4775.tbin
4776 1 Title: (5aR,11bS)-4,5,5a,6,7,11b-hexahydro-2-propyl-3-thia-5-azacyclopent-1- ena[c]-phenanthrene-9,10-diol (A-86929): a potent and selective dopamine D1 agonist that maintains behavioral efficacy following repeated administration and characterization of its diacetyl prodrug (ABT-431). aid4776.table aid4776.tbin
4777 1 Title: Thiazole as a carbonyl bioisostere. A novel class of highly potent and selective 5-HT3 receptor antagonists. Abstract: A novel structural class of highly potent and selective 5-HT3 receptor antagonists is described. The compounds in this new series contain a thiazole moiety linking an aromatic group and a nitrogen-containing basic region; the thiazole group appears to be acting as a carbonyl bioisostere in this system. An optimized member of this series, 4-(2-methoxyphenyl)-2-[[4(5)-methy... aid4777.table aid4777.tbin
4778 2 Title: (+/-) 3-Amino-6-carboxamido-1,2,3,4-tetrahydrocarbazole: a conformationally restricted analogue of 5-carboxamidotryptamine with selectivity for the serotonin 5-HT1D receptor. aid4778.table aid4778.tbin
4779 1 Title: Benzylimidazolines as h5-HT1B/1D serotonin receptor ligands: a structure-affinity investigation. Abstract: Benzylimidazolines may represent a class of 5-HT1D ligands that has yet to be exploited. On the basis of a previous report that the 2-(substituted-benzyl)imidazoline alpha-adrenergic agonist oxymetazoline (8) binds with high affinity at calf brain 5-HT1D receptors, we explored the structure-affinity relationships of a series of related derivatives. Each of the aromatic substituents w... aid4779.table aid4779.tbin
4780 4 Title: Synthesis and serotonergic pharmacology of the enantiomers of 3-[(N-methylpyrrolidin-2-yl)methyl]-5-methoxy-1H-indole: discovery of stereogenic differentiation in the aminoethyl side chain of the neurotransmitter serotonin. aid4780.table aid4780.tbin
4781 4 Title: Synthesis and serotonergic pharmacology of the enantiomers of 3-[(N-methylpyrrolidin-2-yl)methyl]-5-methoxy-1H-indole: discovery of stereogenic differentiation in the aminoethyl side chain of the neurotransmitter serotonin. aid4781.table aid4781.tbin
4782 46 Title: Structure-activity relationships of a series of novel (piperazinylbutyl)thiazolidinone antipsychotic agents related to 3-[4-[4-(6-fluorobenzo[b]thien-3-yl)-1-piperazinyl]butyl]-2,5,5- trimethyl-4-thiazolidinone maleate. Abstract: HP-236 (3-[4-[4-(6-Fluorobenzo[b]thien-3-yl)-1-piperazinyl]butyl]-2,5,5- trimethyl-4-thiazolidinone maleate; P-9236) (54) displayed a pharmacological profile indicative of potential atypical antipsychotic activity. A series of piperazinyl butyl thiazolidinones st... aid4782.table aid4782.tbin
4783 1 Title: Synthesis and potential antipsychotic activity of 1H-imidazo[1,2-c]pyrazolo[3,4-e]pyrimidines. Abstract: The synthesis of a series of 1H-imidazo[1,2-c]pyrazolo[3,4-e]pyrimidines is reported along with the effects of these compounds in preclinical tests for antipsychotic activity. Certain of these compounds displayed antipsychotic-like effects in conditioned avoidance tests, but unlike currently used antipsychotic drugs, they did not have affinity for brain dopamine receptors. These compou... aid4783.table aid4783.tbin
4784 11 Title: 2,3-Dialkyl(dimethylamino)indoles: interaction with 5HT1, 5HT2, and rat stomach fundal serotonin receptors. Abstract: 2,3-Dialkyl(dimethylamino)indoles, synthesized via the Fisher indole synthesis, were found to weakly bind to 5HT1 and 5HT2 sites in brain cortical membranes (IC50 greater than 1 microM at both sites for all compounds). These (dimethylamino)indoles were relatively potent antagonists of the serotonin receptor in the rat stomach fundus. At higher concentrations, several of th... aid4784.table aid4784.tbin
4785 1 Title: (5-Amino-1,3-dimethyl-1H-pyrazol-4-yl)(2-fluorophenyl)methanones . A series of novel potential antipsychotic agents. Abstract: (5-Amino-1,3-dimethyl-1H-pyrazol-4-yl)(2-fluorophenyl)methanone (1) was found to have an antipsychotic-like profile in behavioral tests predictive of antipsychotic efficacy but, unlike available antipsychotic agents, did not bind in vitro to dopamine receptors. Upon further evaluation, 1 was found to cause clonic seizures in aged rodents. An examination of related... aid4785.table aid4785.tbin
4786 3 Title: Synthesis and biological evaluation of 1-(1,2-benzisothiazol-3-yl)- and (1,2-benzisoxazol-3-yl)piperazine derivatives as potential antipsychotic agents. Abstract: Members of the series of title compounds were tested for potential antipsychotic activity in relevant receptor binding assays and behavioral screens. Structure-activity relationships within the series are discussed. Compound 24 (BMY 13859-1), a (1,2-benzisothiazol-3-yl)piperazine derivative, was selected for further study becaus... aid4786.table aid4786.tbin
4787 1 Title: (5-Amino-1,3-dimethyl-1H-pyrazol-4-yl)(2-fluorophenyl)methanones . A series of novel potential antipsychotic agents. Abstract: (5-Amino-1,3-dimethyl-1H-pyrazol-4-yl)(2-fluorophenyl)methanone (1) was found to have an antipsychotic-like profile in behavioral tests predictive of antipsychotic efficacy but, unlike available antipsychotic agents, did not bind in vitro to dopamine receptors. Upon further evaluation, 1 was found to cause clonic seizures in aged rodents. An examination of related... aid4787.table aid4787.tbin
4788 20 Title: Ergolines as selective 5-HT1 agonists. Abstract: The synthesis and serotonin receptor subtype affinity of a series of ergolines are described. High selectivity for the 5-HT1 subtype was found with a number of 8-substituted (3 beta, 5 beta)-9,10-didehydro-6-methylergolines. The more potent and selective of these compounds increased the concentration of serotonin and decreased the concentration of 5-HIAA in rat brain and increased corticosterone concentration in rat serum. Oral administrati... aid4788.table aid4788.tbin
4789 2 Title: Central serotonin receptors as targets for drug research. aid4789.table aid4789.tbin
4790 1 Title: Synthesis and biological evaluation of 1-(1,2-benzisothiazol-3-yl)- and (1,2-benzisoxazol-3-yl)piperazine derivatives as potential antipsychotic agents. Abstract: Members of the series of title compounds were tested for potential antipsychotic activity in relevant receptor binding assays and behavioral screens. Structure-activity relationships within the series are discussed. Compound 24 (BMY 13859-1), a (1,2-benzisothiazol-3-yl)piperazine derivative, was selected for further study becaus... aid4790.table aid4790.tbin
4791 21 Title: Development of a receptor-interaction model for serotonin 5-HT2 receptor antagonists. Predicting selectivity with respect to dopamine D2 receptors. Abstract: A receptor-interaction model for serotonin 5-HT2 receptor antagonists has been developed by conformational analysis with molecular mechanics (MM2(91)) and superimposition studies of serotonin 5-HT2 receptor antagonists. Substituted 3-(4-piperidinyl)-,1-(4- piperidinyl)-,3-(1,2,3,6-tetrahydropyridin-4-yl)-, and 1-(1,2,3,6-tetrahydropy... aid4791.table aid4791.tbin
4792 1 Title: 1-Naphthylpiperazine derivatives as potential atypical antipsychotic agents. Abstract: The design and synthesis of a series of potential atypical antipsychotic agents based on the structure of 1-naphthylpiperazine are described. The incorporation of dopamine antagonist activity into the parent structure was achieved with heterocyclic surrogates for the catechol moiety of dopamine. Compound 4b from this series showed a biochemical profile that translated to behavioral activity in the rat p... aid4792.table aid4792.tbin
4793 5 Title: 1-Naphthylpiperazine derivatives as potential atypical antipsychotic agents. Abstract: The design and synthesis of a series of potential atypical antipsychotic agents based on the structure of 1-naphthylpiperazine are described. The incorporation of dopamine antagonist activity into the parent structure was achieved with heterocyclic surrogates for the catechol moiety of dopamine. Compound 4b from this series showed a biochemical profile that translated to behavioral activity in the rat p... aid4793.table aid4793.tbin
4794 2 Title: 1-Naphthylpiperazine derivatives as potential atypical antipsychotic agents. Abstract: The design and synthesis of a series of potential atypical antipsychotic agents based on the structure of 1-naphthylpiperazine are described. The incorporation of dopamine antagonist activity into the parent structure was achieved with heterocyclic surrogates for the catechol moiety of dopamine. Compound 4b from this series showed a biochemical profile that translated to behavioral activity in the rat p... aid4794.table aid4794.tbin
4795 2 Title: 1-Naphthylpiperazine derivatives as potential atypical antipsychotic agents. Abstract: The design and synthesis of a series of potential atypical antipsychotic agents based on the structure of 1-naphthylpiperazine are described. The incorporation of dopamine antagonist activity into the parent structure was achieved with heterocyclic surrogates for the catechol moiety of dopamine. Compound 4b from this series showed a biochemical profile that translated to behavioral activity in the rat p... aid4795.table aid4795.tbin
4796 1 Title: 1-Naphthylpiperazine derivatives as potential atypical antipsychotic agents. Abstract: The design and synthesis of a series of potential atypical antipsychotic agents based on the structure of 1-naphthylpiperazine are described. The incorporation of dopamine antagonist activity into the parent structure was achieved with heterocyclic surrogates for the catechol moiety of dopamine. Compound 4b from this series showed a biochemical profile that translated to behavioral activity in the rat p... aid4796.table aid4796.tbin
4797 6 Title: 1-(2-Aminoethyl)-3-methyl-8,9-dihydropyrano[3,2-e]indole: a rotationally restricted phenolic analog of the neurotransmitter serotonin and agonist selective for serotonin (5-HT2-type) receptors. Abstract: A series of rotationally restricted phenolic analogs of the neurotransmitter serotonin has been synthesized with the 5-hydroxyindole portion of serotonin replaced by a dihydropyrano[3,2-e]-indole (1, 3, 4, and 5) and a dihydropyrano[2,3-f]indole (2). The receptor binding profile of these ... aid4797.table aid4797.tbin
4798 6 Title: 1-(2-Aminoethyl)-3-methyl-8,9-dihydropyrano[3,2-e]indole: a rotationally restricted phenolic analog of the neurotransmitter serotonin and agonist selective for serotonin (5-HT2-type) receptors. Abstract: A series of rotationally restricted phenolic analogs of the neurotransmitter serotonin has been synthesized with the 5-hydroxyindole portion of serotonin replaced by a dihydropyrano[3,2-e]-indole (1, 3, 4, and 5) and a dihydropyrano[2,3-f]indole (2). The receptor binding profile of these ... aid4798.table aid4798.tbin
4799 24 Title: Serotonergic ergoline derivatives. Abstract: Novel classes of 13- and 14-tertbutyl-ergoline derivatives were prepared, and characterised in vitro for their affinity for adrenergic, dopaminergic and serotonergic binding sites. This study particularly examines the importance of the presence and the position of the tert-butyl group in conferring either significant 5-HT1A or 5-HT2 affinity and selectivity respectively. aid4799.table aid4799.tbin
4800 1 Title: 1-Naphthylpiperazine derivatives as potential atypical antipsychotic agents. Abstract: The design and synthesis of a series of potential atypical antipsychotic agents based on the structure of 1-naphthylpiperazine are described. The incorporation of dopamine antagonist activity into the parent structure was achieved with heterocyclic surrogates for the catechol moiety of dopamine. Compound 4b from this series showed a biochemical profile that translated to behavioral activity in the rat p... aid4800.table aid4800.tbin
4801 2 Title: 1-Naphthylpiperazine derivatives as potential atypical antipsychotic agents. Abstract: The design and synthesis of a series of potential atypical antipsychotic agents based on the structure of 1-naphthylpiperazine are described. The incorporation of dopamine antagonist activity into the parent structure was achieved with heterocyclic surrogates for the catechol moiety of dopamine. Compound 4b from this series showed a biochemical profile that translated to behavioral activity in the rat p... aid4801.table aid4801.tbin
4802 6 Title: 3-(1,2,5,6-Tetrahydropyrid-4-yl)pyrrolo[3,2-b]pyrid-5-one: a potent and selective serotonin (5-HT1B) agonist and rotationally restricted phenolic analogue of 5-methoxy-3-(1,2,5,6-tetrahydropyrid-4-yl)indole. Abstract: The synthesis and in vitro and in vivo characteristics of 3-(1,2,5,6-tetrahydropyrid-4-yl)pyrrolo[3,2-b]pyrid-5-one (1, CP-93,129) are described. This rotationally restricted phenolic analogue of RU-24,969 is a potent (15 nM) and selective (200x vs the 5-HT1A receptor, 150x ... aid4802.table aid4802.tbin
4803 18 Title: Synthesis and biological evaluation of a series of substituted N-alkoxyimides and -amides as potential atypical antipsychotic agents. Abstract: In a continuing program to discover antipsychotic agents with a reduced propensity toward extrapyramidal side-effects, a series of N-alkoxyimides and -amides was prepared. Evaluation of these compounds in vitro revealed affinities for D2, 5HT2 and 5HT1A receptors. Several members of the series displayed a profile indicative of potential antipsycho... aid4803.table aid4803.tbin
4804 1 Title: (5-Amino-1,3-dimethyl-1H-pyrazol-4-yl)(2-fluorophenyl)methanones . A series of novel potential antipsychotic agents. Abstract: (5-Amino-1,3-dimethyl-1H-pyrazol-4-yl)(2-fluorophenyl)methanone (1) was found to have an antipsychotic-like profile in behavioral tests predictive of antipsychotic efficacy but, unlike available antipsychotic agents, did not bind in vitro to dopamine receptors. Upon further evaluation, 1 was found to cause clonic seizures in aged rodents. An examination of related... aid4804.table aid4804.tbin
4805 1 Title: Dopamine autoreceptor agonists as potential antipsychotics. 2. (Aminoalkoxy)-4H-1-benzopyran-4-ones. Abstract: The synthesis and pharmacological properties of a novel type of [(arylpiperazinyl)alkoxy]-4H-1-benzopyran-4-ones with dopaminergic activity are described. The nature of the arylpiperazine (AP) moiety determines the dopamine (DA) agonist/antagonist character of this series of compounds; when the aryl portion of the AP is unsubstituted the compounds appear to be DA autoreceptor ago... aid4805.table aid4805.tbin
4806 28 Title: Selective, centrally acting serotonin 5-HT2 antagonists. 1. 2- and 6-substituted 1-phenyl-3-(4-piperidinyl)-1H-indoles. Abstract: A series of 1-[2-[4-(1H-indol-3-yl)-1-piperidinyl]ethyl]-2-imidazolidinones has been synthesized. The 1-position of the indole is substituted with phenyl groups and in the 2- or 6-positions are additional substituents. An analogous series with the imidazolidinone ring opened to corresponding urea derivatives was also prepared. High potency and selectivity for 5... aid4806.table aid4806.tbin
4807 20 Title: Selective, centrally acting serotonin 5-HT2 antagonists. 2. Substituted 3-(4-fluorophenyl)-1H-indoles. Abstract: A series of 3-(4-fluorophenyl)-1H-indoles substituted in the 1-position with 4-piperidinyl, 1,2,3,6-tetrahydro-4-pyridinyl, and 4-piperazinyl was synthesized. By variation of the substituents in the benzene part of the indole nucleus in 1-[2-[4-[3-4-fluorophenyl)-1H-indol-1-yl]-1-piperidinyl]-ethyl]-2- imidazolidinones, the highest 5-HT2 receptor affinity and selectivity with r... aid4807.table aid4807.tbin
4808 1 Title: Selective, centrally acting serotonin 5-HT2 antagonists. 2. Substituted 3-(4-fluorophenyl)-1H-indoles. Abstract: A series of 3-(4-fluorophenyl)-1H-indoles substituted in the 1-position with 4-piperidinyl, 1,2,3,6-tetrahydro-4-pyridinyl, and 4-piperazinyl was synthesized. By variation of the substituents in the benzene part of the indole nucleus in 1-[2-[4-[3-4-fluorophenyl)-1H-indol-1-yl]-1-piperidinyl]-ethyl]-2- imidazolidinones, the highest 5-HT2 receptor affinity and selectivity with r... aid4808.table aid4808.tbin
4809 1 Title: Selective, centrally acting serotonin 5-HT2 antagonists. 1. 2- and 6-substituted 1-phenyl-3-(4-piperidinyl)-1H-indoles. Abstract: A series of 1-[2-[4-(1H-indol-3-yl)-1-piperidinyl]ethyl]-2-imidazolidinones has been synthesized. The 1-position of the indole is substituted with phenyl groups and in the 2- or 6-positions are additional substituents. An analogous series with the imidazolidinone ring opened to corresponding urea derivatives was also prepared. High potency and selectivity for 5... aid4809.table aid4809.tbin
4810 20 Title: Noncataleptogenic, centrally acting dopamine D-2 and serotonin 5-HT2 antagonists within a series of 3-substituted 1-(4-fluorophenyl)-1H-indoles. Abstract: A series of 1-(4-fluorophenyl)-1H-indoles substituted at the 3-position with 1-piperazinyl, 1,2,3,6-tetrahydro-4-pyridinyl, and 4-piperidinyl was synthesized. Within all three subseries potent dopamine D-2 and serotonin 5-HT2 receptor affinity was found in ligand binding studies. Quipazine-induced head twitches in rats were inhibited by... aid4810.table aid4810.tbin
4811 1 Title: Noncataleptogenic, centrally acting dopamine D-2 and serotonin 5-HT2 antagonists within a series of 3-substituted 1-(4-fluorophenyl)-1H-indoles. Abstract: A series of 1-(4-fluorophenyl)-1H-indoles substituted at the 3-position with 1-piperazinyl, 1,2,3,6-tetrahydro-4-pyridinyl, and 4-piperidinyl was synthesized. Within all three subseries potent dopamine D-2 and serotonin 5-HT2 receptor affinity was found in ligand binding studies. Quipazine-induced head twitches in rats were inhibited by... aid4811.table aid4811.tbin
4812 11 Title: Noncataleptogenic, centrally acting dopamine D-2 and serotonin 5-HT2 antagonists within a series of 3-substituted 1-(4-fluorophenyl)-1H-indoles. Abstract: A series of 1-(4-fluorophenyl)-1H-indoles substituted at the 3-position with 1-piperazinyl, 1,2,3,6-tetrahydro-4-pyridinyl, and 4-piperidinyl was synthesized. Within all three subseries potent dopamine D-2 and serotonin 5-HT2 receptor affinity was found in ligand binding studies. Quipazine-induced head twitches in rats were inhibited by... aid4812.table aid4812.tbin
4813 5 Title: Noncataleptogenic, centrally acting dopamine D-2 and serotonin 5-HT2 antagonists within a series of 3-substituted 1-(4-fluorophenyl)-1H-indoles. Abstract: A series of 1-(4-fluorophenyl)-1H-indoles substituted at the 3-position with 1-piperazinyl, 1,2,3,6-tetrahydro-4-pyridinyl, and 4-piperidinyl was synthesized. Within all three subseries potent dopamine D-2 and serotonin 5-HT2 receptor affinity was found in ligand binding studies. Quipazine-induced head twitches in rats were inhibited by... aid4813.table aid4813.tbin
4814 21 Title: Effect of linking bridge modifications on the antipsychotic profile of some phthalimide and isoindolinone derivatives. Abstract: A series of phthalimide and isoindolinone derivatives bridged to 4-(1,2-benzisothiazol-3-yl)-1-piperazinyl was prepared. The compounds were evaluated in vitro at dopamine D2 and serotonin 5-HT1a and 5-HT2 receptors and in vivo for their ability to antagonize the apomorphine-induced climbing response in mice. The effects of bridge length and conformation on the b... aid4814.table aid4814.tbin
4815 1 Title: 2H-[1]benzopyrano[3,4-b]pyridines: synthesis and activity at central monoamine receptors. Abstract: Two general synthetic approaches to a novel series of 2H-[1]benzopyrano[3,4-b]pyridines are described together with their receptor binding profile at a variety of monoamine receptors in mammalian brain tissue. The biologically active members of this series fall into into one of two broad classes: 3,4,4a,5-tetrahydro-2H-[1]benzopyrano[3,4-b]pyridines or trans-1,3,4,4a,5,10b-hexahydro-2H-[1]b... aid4815.table aid4815.tbin
4816 7 Title: 2H-[1]benzopyrano[3,4-b]pyridines: synthesis and activity at central monoamine receptors. Abstract: Two general synthetic approaches to a novel series of 2H-[1]benzopyrano[3,4-b]pyridines are described together with their receptor binding profile at a variety of monoamine receptors in mammalian brain tissue. The biologically active members of this series fall into into one of two broad classes: 3,4,4a,5-tetrahydro-2H-[1]benzopyrano[3,4-b]pyridines or trans-1,3,4,4a,5,10b-hexahydro-2H-[1]b... aid4816.table aid4816.tbin
4817 3 Title: 2H-[1]benzopyrano[3,4-b]pyridines: synthesis and activity at central monoamine receptors. Abstract: Two general synthetic approaches to a novel series of 2H-[1]benzopyrano[3,4-b]pyridines are described together with their receptor binding profile at a variety of monoamine receptors in mammalian brain tissue. The biologically active members of this series fall into into one of two broad classes: 3,4,4a,5-tetrahydro-2H-[1]benzopyrano[3,4-b]pyridines or trans-1,3,4,4a,5,10b-hexahydro-2H-[1]b... aid4817.table aid4817.tbin
4818 1 Title: Buspirone analogues. 2. Structure-activity relationships of aromatic imide derivatives. Abstract: Several analogues of the novel anxiolytic buspirone were synthesized and evaluated in vivo for tranquilizing activity and their ability to reverse neuroleptic-induced catalepsy. The in vitro binding affinities of these compounds were also examined for both the alpha 1 and dopamine D2 receptor systems. The general structure-activity relationships of this series highlight compounds 17, 21, and ... aid4818.table aid4818.tbin
4819 1 Title: Buspirone analogues. 2. Structure-activity relationships of aromatic imide derivatives. Abstract: Several analogues of the novel anxiolytic buspirone were synthesized and evaluated in vivo for tranquilizing activity and their ability to reverse neuroleptic-induced catalepsy. The in vitro binding affinities of these compounds were also examined for both the alpha 1 and dopamine D2 receptor systems. The general structure-activity relationships of this series highlight compounds 17, 21, and ... aid4819.table aid4819.tbin
4820 1 Title: Antipsychotic activity of substituted gamma-carbolines. Abstract: Several novel substituted gamma-carbolines were synthesized and examined in a series of in vitro and in vivo pharmacological tests to determine potential antipsychotic activity. Most compounds were orally active in blocking the conditioned avoidance response (CAR) in rats but did not antagonize apomorphine-induced stereotyped behavior. Compound 17 (Wy-47,384), a gamma-carboline with a 3-(3-pyridinyl)propyl side chain, was s... aid4820.table aid4820.tbin
4821 15 Title: Mixed 5-HT1A/D-2 activity of a new model of arylpiperazines: 1-aryl-4-[3-(1,2-dihydronaphthalen-4-yl)-n-propyl]piperazines. 1. Synthesis and structure-activity relationships. Abstract: A new model of 4-alkyl-1-arylpiperazines containing a terminal dihydronaphthalene fragment on the alkyl chain was synthesized in order to have mixed serotonergic and dopaminergic activity and to pursue the recent alternative approaches to the discovery of novel antipsychotic and anxiolytic agents. Title com... aid4821.table aid4821.tbin
4822 31 Title: High affinity and selectivity on 5-HT1A receptor of 1-aryl-4-[1-tetralin)alkyl]piperazines. 2. Abstract: Several 4-alkyl-1-arylpiperazines that present a tetralin moiety on the terminal part of the side chain were synthesized in order to increase the selectivity on the 5-HT1A versus D-2, alpha 1, sigma, and other 5-HT receptors. Many changes have been effected on previous structures of type 3(1-aryl-4-[3-(1,2-dihydronaphthalen-4-yl)-n-propyl]piperazines). Several synthetic procedures were... aid4822.table aid4822.tbin
4823 2 Title: (S)-N-tert-butyl-3-(4-(2-methoxyphenyl)-piperazin-1-yl)-2-phenylpropanamide [(S)-WAY-100135]: a selective antagonist at presynaptic and postsynaptic 5-HT1A receptors. aid4823.table aid4823.tbin
4824 18 Title: Cyclic benzamides as mixed dopamine D2/serotonin 5-HT2 receptor antagonists: potential atypical antipsychotic agents. Abstract: A series of novel 4-(4-(1,2-benzisothiazol-3-yl)-1-piperazinyl)butyl) cyclic amides was prepared and evaluated as potential antipsychotic agents. The target compounds were examined in vitro for their binding affinities to the dopamine D2, serotonin 5-HT2, and serotonin 5-HT1a receptors and in vivo for their ability to antagonize the apomorphine-induced climbing r... aid4824.table aid4824.tbin
4825 45 Title: Structure-activity relationships of a series of substituted benzamides: potent D2/5-HT2 antagonists and 5-HT1a agonists as neuroleptic agents. Abstract: A series of substituted (4-(4-(1,2-benzisothiazol-3-yl)-1-piperazinyl)butyl)benzamide derivatives was prepared and evaluated as potential atypical antipsychotic agents. The target compounds were readily prepared from their benzoyl chloride, benzoic acid, or isatoic anhydride precursors, and they were evaluated in vitro for their ability t... aid4825.table aid4825.tbin
4826 44 Title: Antihypertensive activity in a series of 1-piperazino-3-phenylindans with potent 5-HT2-antagonistic activity. Abstract: A series of trans-1-piperazino-3-phenylindans were synthesized with the goal of replacing their established neuroleptic profile with that of peripheral 5-hydroxytryptamine (5-HT2) antagonism. Compounds with an unsubstituted or fluoro-substituted 6-position in the indan ring, and which had a five- or six-membered heterocyclic ring attached by an ethylene chain to the pipe... aid4826.table aid4826.tbin
4827 2 Title: Antihypertensive activity in a series of 1-piperazino-3-phenylindans with potent 5-HT2-antagonistic activity. Abstract: A series of trans-1-piperazino-3-phenylindans were synthesized with the goal of replacing their established neuroleptic profile with that of peripheral 5-hydroxytryptamine (5-HT2) antagonism. Compounds with an unsubstituted or fluoro-substituted 6-position in the indan ring, and which had a five- or six-membered heterocyclic ring attached by an ethylene chain to the pipe... aid4827.table aid4827.tbin
4828 3 Title: Novel benzamides as selective and potent gastrokinetic agents. 2. Synthesis and structure-activity relationships of 4-amino-5-chloro-2-ethoxy-N-[[4-(4-fluorobenzyl)-2- morpholinyl]methyl] benzamide citrate (AS-4370) and related compounds. Abstract: The title compounds (19-55) with a 4-substituted 2-(aminomethyl)morpholine group were prepared and evaluated for the gastrokinetic activity by determining their effect on gastric emptying of phenol red semisolid meal in rats. Introduction of ch... aid4828.table aid4828.tbin
4829 1 Title: Synthesis and structure-activity relationships of N-propyl-N-(4-pyridinyl)-1H-indol-1-amine (besipirdine) and related analogs as potential therapeutic agents for Alzheimer's disease. Abstract: A series of novel N-(4-pyridinyl)-1H-indol-1-amines and other heteroaryl analogs was synthesized and evaluated in tests to determine potential utility for the treatment of Alzheimer's disease. From these compounds, N-propyl-N-(4-pyridinyl)-1H-indol-1-amine (besipirdine, 4c) was selected for clinical... aid4829.table aid4829.tbin
4830 4 Title: Ketanserin analogues: structure-affinity relationships for 5-HT2 and 5-HT1C serotonin receptor binding. Abstract: Ketanserin is the prototypic 5-HT2 serotonin antagonist; although it has been an important tool for the study of serotonin pharmacology, it has had relatively little impact on drug design because remarkably little is known about its structure-affinity relationships. Furthermore, ketanserin also binds at 5-HT1C receptors and even less is known about the influence of its structu... aid4830.table aid4830.tbin
4831 3 Title: N-[[1-(2-phenylethyl)pyrrolidin-2-yl]methyl]cyclohexanecarboxamides as selective 5-HT1A receptor agonists. Abstract: A series of benzamides was synthesized as selective agonists for the 5-HT1A receptor. It was found that (S)-N-[[1-(2-phenylethyl)pyrrolidin-2-yl]methyl]cyclohexanecarb oxamide(7-(S)) has potent and selective agonistic activity for the 5-HT1A receptor (5-HT1A; Ki 0.49 nmol/L, D2; IC50 = &gt;1000 nmol/L, 5-HT2; Ki = 240 nmol/L). aid4831.table aid4831.tbin
4832 2 Title: N-[[1-(2-phenylethyl)pyrrolidin-2-yl]methyl]cyclohexanecarboxamides as selective 5-HT1A receptor agonists. Abstract: A series of benzamides was synthesized as selective agonists for the 5-HT1A receptor. It was found that (S)-N-[[1-(2-phenylethyl)pyrrolidin-2-yl]methyl]cyclohexanecarb oxamide(7-(S)) has potent and selective agonistic activity for the 5-HT1A receptor (5-HT1A; Ki 0.49 nmol/L, D2; IC50 = &gt;1000 nmol/L, 5-HT2; Ki = 240 nmol/L). aid4832.table aid4832.tbin
4833 4 Title: Design, synthesis, structure-activity relationships, and biological characterization of novel arylalkoxyphenylalkylamine sigma ligands as potential antipsychotic drugs. Abstract: sigma Receptor antagonists may be effective antipsychotic drugs that do not induce motor side effects caused by ingestion of classical drugs such as haloperidol. We obtained evidence that 1-(2-dipropylaminoethyl)-4-methoxy-6H-dibenzo[b,d]pyran hydrochloride 2a had selective affinity for sigma receptor over dopami... aid4833.table aid4833.tbin
4834 1 Title: Synthesis and biological characterization of alpha-(4-fluorophenyl)-4-(5-fluoro-2-pyrimidinyl)-1-piperazinebutanol and analogues as potential atypical antipsychotic agents. Abstract: A series of 1-(pyrimidin-2-yl)piperazine derivatives were prepared and evaluated in receptor binding assays and in in vivo behavioral paradigms as potential atypical antipsychotic agents. Compound 16 (BMS 181100 (formerly BMY 14802)) emerged as the lead compound from within the series on the basis of its good... aid4834.table aid4834.tbin
4835 2 Title: Development of a presynaptic 5-HT1A antagonist. Abstract: A new 5-HT(1A) silent antagonist 14 (5-HT(1A) IC(50)=2.2 nM) antagonizes the effects of agonists on reciprocal forepaw treading behavior, on neuronal firing in the rat dorsal raphe, and on 5-HT(1A) release in the raphe and hippocampus. While 14 alone was inactive in the social interaction paradigm, it completely reversed the social interaction activity of the serotonergic compounds (buspirone, 1, and 2). aid4835.table aid4835.tbin
4836 9 Inhibitory concentration against [3H]ketanserin binding to 5-hydroxytryptamine 2 receptor expressed in CHO-K1 cells aid4836.table aid4836.tbin
4837 39 Title: Stereospecific and selective 5-HT2 antagonism in a series of 5-substituted trans-1-piperazino-3-phenylindans. Abstract: A study of the effect of aromatic substitution on 5-HT2, D2, and alpha 1 receptor affinity in a subseries of new and previously synthesized 1-piperazino-3-phenylindans indicated that high 5-HT2 selectivity could be obtained in 5-substituted derivatives. Accordingly, a series of 5-substituted derivatives was synthesized with the goal of obtaining stereospecific and select... aid4837.table aid4837.tbin
4838 1 Title: N-[1-(2-Phenylethyl)pyrrolidin-3-yl]-1-adamantanecarboxamides as novel 5-HT2 receptor antagonists. Abstract: A series of 1-adamantanecarboxamides was synthesized and examined for their potency as a selective 5-HT2 receptor antagonist. We found (S)-N-[1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-1-adamantane carboxamide hydrochloride hydrate (10-(S), Y-39241) to have a high affinity and selectivity for 5-HT2 receptors, and this potent anti-platelet effect of Y-39241 was confirmed both in vi... aid4838.table aid4838.tbin
4839 33 Title: Naphthosultam derivatives: a new class of potent and selective 5-HT2 antagonists. Abstract: A series of 2-(aminoalkyl)naphth[1,8-cd]isothiazole 1,1-dioxides was synthesized and examined in various receptor binding tests. Most compounds demonstrated high affinity for the 5-HT2 receptor with moderate to high selectivity. A member of this series, compound 24 (RP 62203), displays high 5-HT2 receptor affinity (Ki = 0.26 nM), which is respectively more than 100 and 1000 times higher than its af... aid4839.table aid4839.tbin
4840 1 Title: (S)-(-)-4-[4-[2-(isochroman-1-yl)ethyl]-piperazin-1-yl] benzenesulfonamide, a selective dopamine D4 antagonist. aid4840.table aid4840.tbin
4841 1 Title: Pyrroloisoquinoline antidepressants. 2. In-depth exploration of structure-activity relationships. Abstract: A series of pyrrolo[2,1-a]isoquinolines, and related compounds, were examined for antidepressant-like activity, by virtue of their antagonism of tetrabenazine-induced ptosis and sedation, and inhibition of biogenic amine uptake. Thus, we have identified some of the most potent antagonists of TBZ-induced ptosis and some of the most potent inhibitors of the uptake of dopamine, norepin... aid4841.table aid4841.tbin
4842 9 Title: Pyrroloisoquinoline antidepressants. 2. In-depth exploration of structure-activity relationships. Abstract: A series of pyrrolo[2,1-a]isoquinolines, and related compounds, were examined for antidepressant-like activity, by virtue of their antagonism of tetrabenazine-induced ptosis and sedation, and inhibition of biogenic amine uptake. Thus, we have identified some of the most potent antagonists of TBZ-induced ptosis and some of the most potent inhibitors of the uptake of dopamine, norepin... aid4842.table aid4842.tbin
4843 2 Title: (S)-N-tert-butyl-3-(4-(2-methoxyphenyl)-piperazin-1-yl)-2-phenylpropanamide [(S)-WAY-100135]: a selective antagonist at presynaptic and postsynaptic 5-HT1A receptors. aid4843.table aid4843.tbin
4844 2 Title: N-(1-arylpropionyl)-4-aryltetrahydropyridines, a new class of high-affinity selective sigma receptor ligands. Abstract: A series of N-(1-arylpropionyl)-4-aryl-1,2,3,6-tetrahydropyridines, prepared by simple Mannich condensations, have been found by radioligand binding assays to have moderate to high affinity (IC50 0.5-500 nM) for bovine cerebellar sigma receptor/binding sites and no measurable affinity (IC50 &gt; 5000 nM) for bovine striatal D2 receptors. The most active of these compound... aid4844.table aid4844.tbin
4845 1 Title: N-(1-arylpropionyl)-4-aryltetrahydropyridines, a new class of high-affinity selective sigma receptor ligands. Abstract: A series of N-(1-arylpropionyl)-4-aryl-1,2,3,6-tetrahydropyridines, prepared by simple Mannich condensations, have been found by radioligand binding assays to have moderate to high affinity (IC50 0.5-500 nM) for bovine cerebellar sigma receptor/binding sites and no measurable affinity (IC50 &gt; 5000 nM) for bovine striatal D2 receptors. The most active of these compound... aid4845.table aid4845.tbin
4846 16 Title: Novel antagonists of 5-HT3 receptors. Synthesis and biological evaluation of piperazinylquinoxaline derivatives. Abstract: A series of piperazinylquinoxalines has been synthesized and studied as 5-HT3 receptor antagonists in different preparations. Antagonism to 5-HT in the longitudinal muscle of the guinea pig ileum was particularly prominent in cyanoquinoxaline derivatives with an alkyl substitutuent on the piperazine moiety. The pA2 of some selected compounds against the 5-HT3 agonist ... aid4846.table aid4846.tbin
4847 1 Title: In vitro labeling of serotonin-S2 receptors: synthesis and binding characteristics of [3H]-7-aminoketanserin. Abstract: [3H]-7-Aminoketanserin (7-amino-3-[2-[4-(2-tritio-4-fluorobenzoyl)-1- piperidinyl]ethyl]-2,4-(1H,3H)-quinazolinedione), an amino derivative of the selective serotonin-S2 antagonist ketanserin, was synthesized and tested for in vitro labeling of serotonin-S2 receptors. The compound showed a very high affinity for both membrane-bound and detergent-solubilized serotonin-S2 ... aid4847.table aid4847.tbin
4848 2 Title: Synthesis and biological evaluation of 1-(1,2-benzisothiazol-3-yl)- and (1,2-benzisoxazol-3-yl)piperazine derivatives as potential antipsychotic agents. Abstract: Members of the series of title compounds were tested for potential antipsychotic activity in relevant receptor binding assays and behavioral screens. Structure-activity relationships within the series are discussed. Compound 24 (BMY 13859-1), a (1,2-benzisothiazol-3-yl)piperazine derivative, was selected for further study becaus... aid4848.table aid4848.tbin
4849 1 Title: A novel and selective 5-HT2 receptor agonist with ocular hypotensive activity: (S)-(+)-1-(2-aminopropyl)-8,9-dihydropyrano[3,2-e]indole. Abstract: Serotonin 5-HT2 receptor agonists have recently been shown to be effective in lowering intraocular pressure in nonhuman primates and represent a potential new class of antiglaucoma agents. As part of an effort to identify new selective agonists at this receptor, we have found that (S)-(+)-1-(2-aminopropyl)-8,9-dihydropyrano[3,2-e]indole (AL-373... aid4849.table aid4849.tbin
4850 1 Title: A novel and selective 5-HT2 receptor agonist with ocular hypotensive activity: (S)-(+)-1-(2-aminopropyl)-8,9-dihydropyrano[3,2-e]indole. Abstract: Serotonin 5-HT2 receptor agonists have recently been shown to be effective in lowering intraocular pressure in nonhuman primates and represent a potential new class of antiglaucoma agents. As part of an effort to identify new selective agonists at this receptor, we have found that (S)-(+)-1-(2-aminopropyl)-8,9-dihydropyrano[3,2-e]indole (AL-373... aid4850.table aid4850.tbin
4851 35 Title: Novel and selective partial agonists of 5-HT3 receptors. 2. Synthesis and biological evaluation of piperazinopyridopyrrolopyrazines, piperazinopyrroloquinoxalines, and piperazinopyridopyrroloquinoxalines. Abstract: In continuation of our previous work on piperazinopyrrolothienopyrazine derivatives, three series of piperazinopyridopyrrolopyrazines, piperazinopyrroloquinoxalines, and piperazinopyridopyrroloquinoxalines were prepared and evaluated as 5-HT3 receptor ligands. The chemical modi... aid4851.table aid4851.tbin
4852 47 Title: Novel selective and partial agonists of 5-HT3 receptors. Part 1. Synthesis and biological evaluation of piperazinopyrrolothienopyrazines. Abstract: A series of piperazinopyrrolo[1,2-a]thieno[3,2-e]- and -[2,3-e]pyrazine derivatives were prepared and evaluated in order to determine the necessary requirements for high affinity on the 5-HT3 receptors and high selectivity versus other 5-HT receptor subtypes. Various substitutions on the piperazine and the thiophene ring of the pyrrolothienopy... aid4852.table aid4852.tbin
4853 4 Compound was tested for its ability to displace [125I]GTI binding to 5-hydroxytryptamine 1D receptor recognition sites in pig caudate membranes aid4853.table aid4853.tbin
4854 5 Compound was tested for its ability to displace [3H]-5-HT binding to 5-hydroxytryptamine 1D receptor recognition sites in pig caudate membranes aid4854.table aid4854.tbin
4855 2 Title: New benzocycloalkylpiperazines, potent and selective 5-HT1A receptor ligands. Abstract: A series of 1-(benzocycloalkyl)-4-(benzamidolkyl)piperazine derivatives was prepared in order to obtain compounds with a high affinity and selectivity for 5-HT1A receptors. The modifications of aromatic substituents, the length of the alkyl chain, and the size of the ring were explored. Most of N-(1,2,3,4-tetrahydronaphthyl)-N'-(benzamidoethyl)piperazines (32-37) were bound to 5-HT1A receptors in a nan... aid4855.table aid4855.tbin
4856 1 Title: Synthesis and serotonergic activity of N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethylamine and analogues: potent agonists for 5-HT1D receptors. Abstract: The synthesis and the 5-HT receptor activity of a novel series of N,N-dimethyltryptamines substituted in the 5-position with an imidazole, triazole, or tetrazole ring are described. The objective of this work was to identify potent and selective 5-HT1D receptor agonists with high oral bioavailability and low central ner... aid4856.table aid4856.tbin
4857 5 Title: Synthesis and serotonergic activity of N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethylamine and analogues: potent agonists for 5-HT1D receptors. Abstract: The synthesis and the 5-HT receptor activity of a novel series of N,N-dimethyltryptamines substituted in the 5-position with an imidazole, triazole, or tetrazole ring are described. The objective of this work was to identify potent and selective 5-HT1D receptor agonists with high oral bioavailability and low central ner... aid4857.table aid4857.tbin
4858 1 Title: Synthesis and serotonergic activity of N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethylamine and analogues: potent agonists for 5-HT1D receptors. Abstract: The synthesis and the 5-HT receptor activity of a novel series of N,N-dimethyltryptamines substituted in the 5-position with an imidazole, triazole, or tetrazole ring are described. The objective of this work was to identify potent and selective 5-HT1D receptor agonists with high oral bioavailability and low central ner... aid4858.table aid4858.tbin
4859 1 Title: Synthesis and serotonergic activity of N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethylamine and analogues: potent agonists for 5-HT1D receptors. Abstract: The synthesis and the 5-HT receptor activity of a novel series of N,N-dimethyltryptamines substituted in the 5-position with an imidazole, triazole, or tetrazole ring are described. The objective of this work was to identify potent and selective 5-HT1D receptor agonists with high oral bioavailability and low central ner... aid4859.table aid4859.tbin
4860 12 Title: Synthesis and serotonergic activity of N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethylamine and analogues: potent agonists for 5-HT1D receptors. Abstract: The synthesis and the 5-HT receptor activity of a novel series of N,N-dimethyltryptamines substituted in the 5-position with an imidazole, triazole, or tetrazole ring are described. The objective of this work was to identify potent and selective 5-HT1D receptor agonists with high oral bioavailability and low central ner... aid4860.table aid4860.tbin
4861 1 Title: Synthesis and serotonergic activity of N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethylamine and analogues: potent agonists for 5-HT1D receptors. Abstract: The synthesis and the 5-HT receptor activity of a novel series of N,N-dimethyltryptamines substituted in the 5-position with an imidazole, triazole, or tetrazole ring are described. The objective of this work was to identify potent and selective 5-HT1D receptor agonists with high oral bioavailability and low central ner... aid4861.table aid4861.tbin
4862 4 Compound was tested for the displacement of [3H]-5-HT to 5-hydroxytryptamine 1D receptor recognition sites in pig caudate membranes aid4862.table aid4862.tbin
4863 16 Title: Synthesis and biological activity of 3-[2-(dimethylamino)ethyl]-5-[(1,1-dioxo-5-methyl-1,2,5-thiadiazolidin- 2-yl)-methyl]-1H-indole and analogues: agonists for the 5-HT1D receptor. Abstract: A novel series of 5-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)tryptamines was designed, synthesized, and evaluated as 5-HT1D receptor agonists. Compounds such as 8d,f,k were identified which had comparable affinity, potency, and receptor selectivity to that of the antimigraine drug sumatriptan. Both 8d,k ... aid4863.table aid4863.tbin
4864 40 Title: Synthesis and serotonergic activity of 5-(oxadiazolyl)tryptamines: potent agonists for 5-HT1D receptors. Abstract: The synthesis and 5-HT1D receptor activity of a novel series of 5-(oxadiazolyl)tryptamines is described. Modifications of the oxadiazole 3-substituent, length of the linking chain (n), and the amine substituents are explored and reveal a large binding pocket in the 5-HT1D receptor domain. Oxadiazole substituents such as benzyl are accommodated without loss of agonist potency ... aid4864.table aid4864.tbin
4865 2 Title: (+/-) 3-Amino-6-carboxamido-1,2,3,4-tetrahydrocarbazole: a conformationally restricted analogue of 5-carboxamidotryptamine with selectivity for the serotonin 5-HT1D receptor. aid4865.table aid4865.tbin
4866 4 In Vitro Binding affinity againist 5-hydroxytryptamine 1D receptor by displacing [125I]GTI from pig caudate aid4866.table aid4866.tbin
4867 41 Title: Computer-aided design and synthesis of 5-substituted tryptamines and their pharmacology at the 5-HT1D receptor: discovery of compounds with potential anti-migraine properties. Abstract: The design and synthesis of a series of novel 5-substituted tryptamines with pharmacological activity at 5-HT1D and other monoamine receptors is described. Structural modifications of N- and C-linked (principally hydantoin) analogues at the 5-position were synthesized and their pharmacological activities w... aid4867.table aid4867.tbin
4868 1 Title: Computer-aided design and synthesis of 5-substituted tryptamines and their pharmacology at the 5-HT1D receptor: discovery of compounds with potential anti-migraine properties. Abstract: The design and synthesis of a series of novel 5-substituted tryptamines with pharmacological activity at 5-HT1D and other monoamine receptors is described. Structural modifications of N- and C-linked (principally hydantoin) analogues at the 5-position were synthesized and their pharmacological activities w... aid4868.table aid4868.tbin
4869 49 Title: Computer-aided design and synthesis of 5-substituted tryptamines and their pharmacology at the 5-HT1D receptor: discovery of compounds with potential anti-migraine properties. Abstract: The design and synthesis of a series of novel 5-substituted tryptamines with pharmacological activity at 5-HT1D and other monoamine receptors is described. Structural modifications of N- and C-linked (principally hydantoin) analogues at the 5-position were synthesized and their pharmacological activities w... aid4869.table aid4869.tbin
4870 1 Tested for the effect on binding at 5-hydroxytryptamine 1D receptor; No activity aid4870.table aid4870.tbin
4871 1 Title: 3-(1,2,5,6-Tetrahydropyrid-4-yl)pyrrolo[3,2-b]pyrid-5-one: a potent and selective serotonin (5-HT1B) agonist and rotationally restricted phenolic analogue of 5-methoxy-3-(1,2,5,6-tetrahydropyrid-4-yl)indole. Abstract: The synthesis and in vitro and in vivo characteristics of 3-(1,2,5,6-tetrahydropyrid-4-yl)pyrrolo[3,2-b]pyrid-5-one (1, CP-93,129) are described. This rotationally restricted phenolic analogue of RU-24,969 is a potent (15 nM) and selective (200x vs the 5-HT1A receptor, 150x ... aid4871.table aid4871.tbin
4872 6 Title: 5-[(3-nitropyrid-2-yl)amino]indoles: novel serotonin agonists with selectivity for the 5-HT1D receptor. Variation of the C3 substituent on the indole template leads to increased 5-HT1D receptor selectivity. aid4872.table aid4872.tbin
4873 6 Title: 5-[(3-nitropyrid-2-yl)amino]indoles: novel serotonin agonists with selectivity for the 5-HT1D receptor. Variation of the C3 substituent on the indole template leads to increased 5-HT1D receptor selectivity. aid4873.table aid4873.tbin
4874 19 Title: 5-HT reuptake inhibitors with 5-HT(1B/1D) antagonistic activity: a new approach toward efficient antidepressants. Abstract: As part of our research program toward new, potential antidepressants, a series of unsymmetrical ureas has been prepared and evaluated as 5-HT reuptake inhibitors with 5-HT(1B/1D) antagonistic activities. The design of these compounds was based on coupling of various indole derivatives, previously shown to inhibit 5-HT reuptake, to three different aniline moieties, w... aid4874.table aid4874.tbin
4875 1 Title: Synthesis and biochemical evaluation of tritium-labeled 1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]oct-3-yl)-1H-indazole-3-carboxa mide, a useful radioligand for 5HT3 receptors. Abstract: The advent of potent, highly selective 5HT3 receptor antagonists has stimulated considerable interest in 5HT3 receptor mediated physiology and pharmacology. To permit detailed biochemical studies regarding interaction of the indazole class of serotonin (5HT) antagonists with 5HT3 receptors in multiple tissu... aid4875.table aid4875.tbin
4876 2 Title: Development of high-affinity 5-HT3 receptor antagonists. Structure-affinity relationships of novel 1,7-annelated indole derivatives. Abstract: On the basis of the structures of ondansetron and GR 65,630, its ring-opened C-linked methylimidazole analogue, novel 1,7-annelated indole derivatives were synthesized as potential 5-HT3 antagonists. Receptor binding studies show that all compounds display a high affinity for the 5-HT3 receptors. In both series annelation results in compounds being... aid4876.table aid4876.tbin
4877 17 Title: Identification of (-)-cis-6-acetyl-4S-(3-chloro-4-fluoro-benzoylamino)- 3,4-dihydro-2,2-dimethyl-2H-benzo[b]pyran-3S-ol as a potential antimigraine agent. Abstract: Optimisation of novel cis- and trans-4-(substituted-amido)benzopyran-3-ol derivatives has led to the identification of SB-220453 20 with an in vivo pre-clinical CNS profile predictive of potential antimigraine activity. aid4877.table aid4877.tbin
4878 1 Title: Design, synthesis and biological activity of novel dimethyl-[2-[6-substituted-indol-1-yl]-ethyl]-amine as potent, selective, and orally-bioavailable 5-HT(1D) agonists. Abstract: A novel series of highly potent human 5-HT(1D) agonists, dimethyl-[2-[6-substituted-indol-1-yl]-ethyl]-amine, was synthesized. Structure-activity relationship (SAR) investigation revealed 4-[1-(2-dimethylamino-ethyl)-1H-indol-6-yl]-tetrahydro-thiopyran-4-ol, 11b (ALX-2732), as a potent (K(i)=2.4 nM) agonist at the... aid4878.table aid4878.tbin
4879 1 Title: First tricyclic oximino derivatives as 5-HT3 ligands. Abstract: The design and synthesis of a new type of 5-HT3 ligand with subnanomolar affinity are described. The O-dialkylaminoethyloximinothienopyrrolizine structure was deduced from molecular modeling studies by replacement of an amidine moiety by an oximino one. aid4879.table aid4879.tbin
4880 4 Compound was measured for its binding affinity at 5-hydroxytryptamine 1D receptor at a concentration of 10 uM using [3H]5-HT as radioligand aid4880.table aid4880.tbin
4881 1 Title: 1-(Bicyclopiperazinyl)ethylindoles and 1-(homopiperazinyl)ethyl-indoles as highly selective and potent 5-HT(7) receptor ligands. Abstract: A novel series of 1-(bicyclopiperazinyl)ethylindole and 1-(homopiperazinyl)ethyl-indole derivatives was synthesized and found to be potent and selective 5-HT(7) receptor ligands. aid4881.table aid4881.tbin
4882 1 Title: N-phenylphenylglycines as novel corticotropin releasing factor receptor antagonists. Abstract: Screening of a computationally designed synthetic library led to the discovery of the N-phenylphenylglycines (NPPGs) as a novel class of human corticotropin releasing factor (h-CRF(1)) antagonists. Several NPPGs with greater potency than the original hit 1 were rapidly identified, and resolution of the racemate demonstrated that only the R-enantiomer displays activity. This structural class repr... aid4882.table aid4882.tbin
4883 2 Title: (+/-) 3-Amino-6-carboxamido-1,2,3,4-tetrahydrocarbazole: a conformationally restricted analogue of 5-carboxamidotryptamine with selectivity for the serotonin 5-HT1D receptor. aid4883.table aid4883.tbin
4884 1 Title: Design and synthesis of novel 2,3-dihydro-1H-isoindoles with high affinity and selectivity for the dopamine D3 receptor. Abstract: Starting from the tetrahydroisoquinoline SB-277011 1, a novel series of 5-substituted-2,3-dihydro-1H-isoindoles has been designed. Subsequent optimisation resulted in identification of 19, which has high affinity for the dopamine D3 receptor (pKi 8.3) and &gt; or = 100-fold selectivity over other aminergic receptors. In rat studies 19 was brain penetrant with ... aid4884.table aid4884.tbin
4885 1 Title: (1-Butyl-4-piperidinyl)methyl 8-amino-7-chloro-1,4-benzodioxane-5-carboxylate hydrochloride: a highly potent and selective 5-HT4 receptor antagonist derived from metoclopramide. aid4885.table aid4885.tbin
4886 1 Title: Thiazole as a carbonyl bioisostere. A novel class of highly potent and selective 5-HT3 receptor antagonists. Abstract: A novel structural class of highly potent and selective 5-HT3 receptor antagonists is described. The compounds in this new series contain a thiazole moiety linking an aromatic group and a nitrogen-containing basic region; the thiazole group appears to be acting as a carbonyl bioisostere in this system. An optimized member of this series, 4-(2-methoxyphenyl)-2-[[4(5)-methy... aid4886.table aid4886.tbin
4887 1 Title: N-(1-methyl-5-indolyl)-N'-(3-methyl-5-isothiazolyl)urea: a novel, high-affinity 5-HT2B receptor antagonist. aid4887.table aid4887.tbin
4888 2 Binding affinity against 5-Hydroxytryptamine 1D receptor aid4888.table aid4888.tbin
4889 1 Title: 3-[3-(Piperidin-1-yl)propyl]indoles as highly selective h5-HT(1D) receptor agonists. Abstract: Several 5-HT(1D/1B) receptor agonists are now entering the marketplace as treatments for migraine. This paper describes the development of selective h5-HT(1D) receptor agonists as potential antimigraine agents which may produce fewer side effects. A series of 3-[3-(piperidin-1-yl)propyl]indoles has been synthesized which has led to the identification of 80 (L-772,405), a high-affinity h5-HT(1D) ... aid4889.table aid4889.tbin
4890 1 Title: 5-HT1D receptor agonist properties of novel 2-[5-[[(trifluoromethyl)sulfonyl]oxy]indolyl]ethylamines and their use as synthetic intermediates. Abstract: 2-[5-[[(trifluoromethyl)sulfonyl]oxy]-1H-indol-3-yl]ethylamine (18), its N,N-di-n-propyl (12), N,N-diethyl (13), and N,N-dimethyl (14) derivatives, and 4-[3-[2-(N,N-dimethylamino)ethyl]-1H-indol-3-yl]-N-(p-methoxybenzyl) acrylamide (GR46611, 19) were synthesized and tested for binding affinities to cloned 5-HT1A, 5-HT1D alpha, 5-HT1D beta... aid4890.table aid4890.tbin
4891 5 Title: 5-HT1D receptor agonist properties of novel 2-[5-[[(trifluoromethyl)sulfonyl]oxy]indolyl]ethylamines and their use as synthetic intermediates. Abstract: 2-[5-[[(trifluoromethyl)sulfonyl]oxy]-1H-indol-3-yl]ethylamine (18), its N,N-di-n-propyl (12), N,N-diethyl (13), and N,N-dimethyl (14) derivatives, and 4-[3-[2-(N,N-dimethylamino)ethyl]-1H-indol-3-yl]-N-(p-methoxybenzyl) acrylamide (GR46611, 19) were synthesized and tested for binding affinities to cloned 5-HT1A, 5-HT1D alpha, 5-HT1D beta... aid4891.table aid4891.tbin
4892 3 Title: 5-HT1D receptor agonist properties of novel 2-[5-[[(trifluoromethyl)sulfonyl]oxy]indolyl]ethylamines and their use as synthetic intermediates. Abstract: 2-[5-[[(trifluoromethyl)sulfonyl]oxy]-1H-indol-3-yl]ethylamine (18), its N,N-di-n-propyl (12), N,N-diethyl (13), and N,N-dimethyl (14) derivatives, and 4-[3-[2-(N,N-dimethylamino)ethyl]-1H-indol-3-yl]-N-(p-methoxybenzyl) acrylamide (GR46611, 19) were synthesized and tested for binding affinities to cloned 5-HT1A, 5-HT1D alpha, 5-HT1D beta... aid4892.table aid4892.tbin
4893 1 Title: 5-HT1D receptor agonist properties of novel 2-[5-[[(trifluoromethyl)sulfonyl]oxy]indolyl]ethylamines and their use as synthetic intermediates. Abstract: 2-[5-[[(trifluoromethyl)sulfonyl]oxy]-1H-indol-3-yl]ethylamine (18), its N,N-di-n-propyl (12), N,N-diethyl (13), and N,N-dimethyl (14) derivatives, and 4-[3-[2-(N,N-dimethylamino)ethyl]-1H-indol-3-yl]-N-(p-methoxybenzyl) acrylamide (GR46611, 19) were synthesized and tested for binding affinities to cloned 5-HT1A, 5-HT1D alpha, 5-HT1D beta... aid4893.table aid4893.tbin
4894 1 Title: Computer-aided design and synthesis of 5-substituted tryptamines and their pharmacology at the 5-HT1D receptor: discovery of compounds with potential anti-migraine properties. Abstract: The design and synthesis of a series of novel 5-substituted tryptamines with pharmacological activity at 5-HT1D and other monoamine receptors is described. Structural modifications of N- and C-linked (principally hydantoin) analogues at the 5-position were synthesized and their pharmacological activities w... aid4894.table aid4894.tbin
4895 1 Title: Binding of O-alkyl derivatives of serotonin at human 5-HT1D beta receptors. Abstract: In humans, 5-HT1D serotonin receptors represent terminal autoreceptors, and there is some evidence that 5-HT1D ligands may be useful in the treatment of migraine. The most widely used 5-HT1D agonist is sumatriptan; however, this agent reportedly displays little selectivity for 5-HT1D versus 5-HT1A receptors. To identify novel serotonergic agents with enhanced 5-HT1D versus 5-HT1A selectivity, we attempte... aid4895.table aid4895.tbin
4896 15 Title: Binding of O-alkyl derivatives of serotonin at human 5-HT1D beta receptors. Abstract: In humans, 5-HT1D serotonin receptors represent terminal autoreceptors, and there is some evidence that 5-HT1D ligands may be useful in the treatment of migraine. The most widely used 5-HT1D agonist is sumatriptan; however, this agent reportedly displays little selectivity for 5-HT1D versus 5-HT1A receptors. To identify novel serotonergic agents with enhanced 5-HT1D versus 5-HT1A selectivity, we attempte... aid4896.table aid4896.tbin
4897 5 Binding affinity towards cloned human 5-hydroxytryptamine 1D receptor alpha was determined aid4897.table aid4897.tbin
4898 36 Title: Structure-activity relationships in the 8-amino-6,7,8,9-tetrahydro-3H-benz[e]indole ring system. 1. Effects of substituents in the aromatic system on serotonin and dopamine receptor subtypes. Abstract: A series of 1-, 3-, and 4-substituted analogs to the potent 5-HT1A against 8-(dipropylamino)-6,7,8,9-tetrahydro-3H-benz[e]indole-1-carbaldehyde (5) were prepared and tested in vitro at 5-HT1A, 5-HT1D alpha, 5-HT1D beta, D2, and D3 receptors and in vivo for agonist activity in the 5-HTP and ... aid4898.table aid4898.tbin
4899 6 Title: 5-HT1D receptor agonist properties of novel 2-[5-[[(trifluoromethyl)sulfonyl]oxy]indolyl]ethylamines and their use as synthetic intermediates. Abstract: 2-[5-[[(trifluoromethyl)sulfonyl]oxy]-1H-indol-3-yl]ethylamine (18), its N,N-di-n-propyl (12), N,N-diethyl (13), and N,N-dimethyl (14) derivatives, and 4-[3-[2-(N,N-dimethylamino)ethyl]-1H-indol-3-yl]-N-(p-methoxybenzyl) acrylamide (GR46611, 19) were synthesized and tested for binding affinities to cloned 5-HT1A, 5-HT1D alpha, 5-HT1D beta... aid4899.table aid4899.tbin
4900 4 Title: 5-HT1D receptor agonist properties of novel 2-[5-[[(trifluoromethyl)sulfonyl]oxy]indolyl]ethylamines and their use as synthetic intermediates. Abstract: 2-[5-[[(trifluoromethyl)sulfonyl]oxy]-1H-indol-3-yl]ethylamine (18), its N,N-di-n-propyl (12), N,N-diethyl (13), and N,N-dimethyl (14) derivatives, and 4-[3-[2-(N,N-dimethylamino)ethyl]-1H-indol-3-yl]-N-(p-methoxybenzyl) acrylamide (GR46611, 19) were synthesized and tested for binding affinities to cloned 5-HT1A, 5-HT1D alpha, 5-HT1D beta... aid4900.table aid4900.tbin
4901 2 Title: 5-HT1D receptor agonist properties of novel 2-[5-[[(trifluoromethyl)sulfonyl]oxy]indolyl]ethylamines and their use as synthetic intermediates. Abstract: 2-[5-[[(trifluoromethyl)sulfonyl]oxy]-1H-indol-3-yl]ethylamine (18), its N,N-di-n-propyl (12), N,N-diethyl (13), and N,N-dimethyl (14) derivatives, and 4-[3-[2-(N,N-dimethylamino)ethyl]-1H-indol-3-yl]-N-(p-methoxybenzyl) acrylamide (GR46611, 19) were synthesized and tested for binding affinities to cloned 5-HT1A, 5-HT1D alpha, 5-HT1D beta... aid4901.table aid4901.tbin
4902 1 Title: 2-(1-Naphthyloxy)ethylamines with enhanced affinity for human 5-HT1D beta (h5-HT1B) serotonin receptors. Abstract: Although the beta-adrenergic antagonist propranolol (1) binds at rodent 5-HT1B serotonin receptors, it displays low affinity (Ki &gt; 10,000 nM) for its species homologue 5-HT1D beta (i.e., h5-HT1B) receptors. The structure of propranolol was systematically modified in an attempt to enhance its affinity for the latter population of receptors. Removal of the alkyl hydroxyl gro... aid4902.table aid4902.tbin
4903 1 Title: 2-(1-Naphthyloxy)ethylamines with enhanced affinity for human 5-HT1D beta (h5-HT1B) serotonin receptors. Abstract: Although the beta-adrenergic antagonist propranolol (1) binds at rodent 5-HT1B serotonin receptors, it displays low affinity (Ki &gt; 10,000 nM) for its species homologue 5-HT1D beta (i.e., h5-HT1B) receptors. The structure of propranolol was systematically modified in an attempt to enhance its affinity for the latter population of receptors. Removal of the alkyl hydroxyl gro... aid4903.table aid4903.tbin
4904 6 Title: 2-(1-Naphthyloxy)ethylamines with enhanced affinity for human 5-HT1D beta (h5-HT1B) serotonin receptors. Abstract: Although the beta-adrenergic antagonist propranolol (1) binds at rodent 5-HT1B serotonin receptors, it displays low affinity (Ki &gt; 10,000 nM) for its species homologue 5-HT1D beta (i.e., h5-HT1B) receptors. The structure of propranolol was systematically modified in an attempt to enhance its affinity for the latter population of receptors. Removal of the alkyl hydroxyl gro... aid4904.table aid4904.tbin
4905 1 Title: Synthesis and evaluation of pharmacological and pharmacokinetic properties of monopropyl analogs of 5-, 7-, and 8-[[(trifluoromethyl)sulfonyl]oxy]-2-aminotetralins: central dopamine and serotonin receptor activity. Abstract: In order to explore further the structure-activity relationships of serotonergic and dopaminergic ligands, a series of enantiopure 5-, 7-, or 8-triflate (-OTf)-substituted 2-(monopropylamino)-tetralins have been synthesized and evaluated in in vitro binding and in viv... aid4905.table aid4905.tbin
4906 7 Title: Synthesis and evaluation of pharmacological and pharmacokinetic properties of monopropyl analogs of 5-, 7-, and 8-[[(trifluoromethyl)sulfonyl]oxy]-2-aminotetralins: central dopamine and serotonin receptor activity. Abstract: In order to explore further the structure-activity relationships of serotonergic and dopaminergic ligands, a series of enantiopure 5-, 7-, or 8-triflate (-OTf)-substituted 2-(monopropylamino)-tetralins have been synthesized and evaluated in in vitro binding and in viv... aid4906.table aid4906.tbin
4907 1 Title: Binding of O-alkyl derivatives of serotonin at human 5-HT1D beta receptors. Abstract: In humans, 5-HT1D serotonin receptors represent terminal autoreceptors, and there is some evidence that 5-HT1D ligands may be useful in the treatment of migraine. The most widely used 5-HT1D agonist is sumatriptan; however, this agent reportedly displays little selectivity for 5-HT1D versus 5-HT1A receptors. To identify novel serotonergic agents with enhanced 5-HT1D versus 5-HT1A selectivity, we attempte... aid4907.table aid4907.tbin
4908 24 Title: Synthesis and serotonergic activity of arylpiperazide derivatives of serotonin: potent agonists for 5-HT1D receptors. Abstract: A series of new arylpiperazide derivatives of serotonin has been prepared and evaluated as 5-HT1D receptor agonists. Binding experiments at cloned human 5-HT1D alpha, 5-HT1D beta, and 5-HT1A receptors show that all the compounds are very potent and selective ligands for 5-HT1D receptor subtypes. Functional activity studies (contraction of the New Zealand white ra... aid4908.table aid4908.tbin
4909 45 Title: Structure-activity relationships in the 8-amino-6,7,8,9-tetrahydro-3H-benz[e]indole ring system. 2. Effects of 8-amino nitrogen substitution on serotonin receptor binding and pharmacology. Abstract: A series of analogs of the potent and selective 5-HT1A agonist 8-(di-n-propylamino)-6,7,8,9-tetrahydro-3H-benz[e]indole-1-carbaldehyde (2b) (OSU191) was prepared in which the dipropylamino group was modified to bear a variety of substituents. These compounds were evaluated for both in vitro an... aid4909.table aid4909.tbin
4910 2 Title: 5-(Nonyloxy)tryptamine: a novel high-affinity 5-HT1D beta serotonin receptor agonist. aid4910.table aid4910.tbin
4911 1 Title: Semisynthetic preparation of amentoflavone: A negative modulator at GABA(A) receptors. Abstract: Amentoflavone is found in a number of plants with medicinal properties, including Ginkgo biloba and Hypericum perforatum (St. John's Wort). We have developed a rapid and economic semi-synthetic preparation of amentoflavone from biflavones isolated from autumnal Ginkgo biloba leaves. Several studies have shown that amentoflavone binds to benzodiazepine receptors. Using two electrode voltage-cla... aid4911.table aid4911.tbin
4912 1 Title: Computer-aided design and synthesis of 5-substituted tryptamines and their pharmacology at the 5-HT1D receptor: discovery of compounds with potential anti-migraine properties. Abstract: The design and synthesis of a series of novel 5-substituted tryptamines with pharmacological activity at 5-HT1D and other monoamine receptors is described. Structural modifications of N- and C-linked (principally hydantoin) analogues at the 5-position were synthesized and their pharmacological activities w... aid4912.table aid4912.tbin
4913 1 Title: Lysergamides of isomeric 2,4-dimethylazetidines map the binding orientation of the diethylamide moiety in the potent hallucinogenic agent N,N-diethyllysergamide (LSD). Abstract: Lysergic acid amides were prepared from (R,R)-(-)-, (S,S)-(+)-, and cis-2,4-dimethyl azetidine. The dimethylazetidine moiety is considered here to be a rigid analogue of diethylamine, and thus, the target compounds are all conformationally constrained analogues of the potent hallucinogenic agent, N,N-diethyllyserg... aid4913.table aid4913.tbin
4914 1 Title: Lysergamides of isomeric 2,4-dimethylazetidines map the binding orientation of the diethylamide moiety in the potent hallucinogenic agent N,N-diethyllysergamide (LSD). Abstract: Lysergic acid amides were prepared from (R,R)-(-)-, (S,S)-(+)-, and cis-2,4-dimethyl azetidine. The dimethylazetidine moiety is considered here to be a rigid analogue of diethylamine, and thus, the target compounds are all conformationally constrained analogues of the potent hallucinogenic agent, N,N-diethyllyserg... aid4914.table aid4914.tbin
4915 1 Title: Lysergamides of isomeric 2,4-dimethylazetidines map the binding orientation of the diethylamide moiety in the potent hallucinogenic agent N,N-diethyllysergamide (LSD). Abstract: Lysergic acid amides were prepared from (R,R)-(-)-, (S,S)-(+)-, and cis-2,4-dimethyl azetidine. The dimethylazetidine moiety is considered here to be a rigid analogue of diethylamine, and thus, the target compounds are all conformationally constrained analogues of the potent hallucinogenic agent, N,N-diethyllyserg... aid4915.table aid4915.tbin
4916 1 Title: Lysergamides of isomeric 2,4-dimethylazetidines map the binding orientation of the diethylamide moiety in the potent hallucinogenic agent N,N-diethyllysergamide (LSD). Abstract: Lysergic acid amides were prepared from (R,R)-(-)-, (S,S)-(+)-, and cis-2,4-dimethyl azetidine. The dimethylazetidine moiety is considered here to be a rigid analogue of diethylamine, and thus, the target compounds are all conformationally constrained analogues of the potent hallucinogenic agent, N,N-diethyllyserg... aid4916.table aid4916.tbin
4917 1 Title: 8-acenaphthen-1-yl-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one derivatives as orphanin FQ receptor agonists. Abstract: A series of 8-acenaphthen-1-yl-1-phenyl-1,3,8-triaza-spiro[4.5]decan+ ++-4-one derivatives 1 was studied with respect to the binding affinity for the orphanin FQ (OFQ) and opioid (mu, kappa, delta) receptors. The influence of stereochemistry as well as the substitution pattern of the phenyl-ring in position 1 on the affinity for the orphanin FQ receptor and selectivity to... aid4917.table aid4917.tbin
4918 1 Title: Evolution of a novel series of [(N,N-dimethylamino)propyl]- and piperazinylbenzanilides as the first selective 5-HT1D antagonists. aid4918.table aid4918.tbin
4919 1 Title: 5-HT1D receptor agonist properties of novel 2-[5-[[(trifluoromethyl)sulfonyl]oxy]indolyl]ethylamines and their use as synthetic intermediates. Abstract: 2-[5-[[(trifluoromethyl)sulfonyl]oxy]-1H-indol-3-yl]ethylamine (18), its N,N-di-n-propyl (12), N,N-diethyl (13), and N,N-dimethyl (14) derivatives, and 4-[3-[2-(N,N-dimethylamino)ethyl]-1H-indol-3-yl]-N-(p-methoxybenzyl) acrylamide (GR46611, 19) were synthesized and tested for binding affinities to cloned 5-HT1A, 5-HT1D alpha, 5-HT1D beta... aid4919.table aid4919.tbin
4920 3 Title: 5-HT1D receptor agonist properties of novel 2-[5-[[(trifluoromethyl)sulfonyl]oxy]indolyl]ethylamines and their use as synthetic intermediates. Abstract: 2-[5-[[(trifluoromethyl)sulfonyl]oxy]-1H-indol-3-yl]ethylamine (18), its N,N-di-n-propyl (12), N,N-diethyl (13), and N,N-dimethyl (14) derivatives, and 4-[3-[2-(N,N-dimethylamino)ethyl]-1H-indol-3-yl]-N-(p-methoxybenzyl) acrylamide (GR46611, 19) were synthesized and tested for binding affinities to cloned 5-HT1A, 5-HT1D alpha, 5-HT1D beta... aid4920.table aid4920.tbin
4921 1 Title: 5-HT1D receptor agonist properties of novel 2-[5-[[(trifluoromethyl)sulfonyl]oxy]indolyl]ethylamines and their use as synthetic intermediates. Abstract: 2-[5-[[(trifluoromethyl)sulfonyl]oxy]-1H-indol-3-yl]ethylamine (18), its N,N-di-n-propyl (12), N,N-diethyl (13), and N,N-dimethyl (14) derivatives, and 4-[3-[2-(N,N-dimethylamino)ethyl]-1H-indol-3-yl]-N-(p-methoxybenzyl) acrylamide (GR46611, 19) were synthesized and tested for binding affinities to cloned 5-HT1A, 5-HT1D alpha, 5-HT1D beta... aid4921.table aid4921.tbin
4922 6 Title: Structure-activity relationships in the 8-amino-6,7,8,9-tetrahydro-3H-benz[e]indole ring system. 2. Effects of 8-amino nitrogen substitution on serotonin receptor binding and pharmacology. Abstract: A series of analogs of the potent and selective 5-HT1A agonist 8-(di-n-propylamino)-6,7,8,9-tetrahydro-3H-benz[e]indole-1-carbaldehyde (2b) (OSU191) was prepared in which the dipropylamino group was modified to bear a variety of substituents. These compounds were evaluated for both in vitro an... aid4922.table aid4922.tbin
4923 1 Title: Computer-aided design and synthesis of 5-substituted tryptamines and their pharmacology at the 5-HT1D receptor: discovery of compounds with potential anti-migraine properties. Abstract: The design and synthesis of a series of novel 5-substituted tryptamines with pharmacological activity at 5-HT1D and other monoamine receptors is described. Structural modifications of N- and C-linked (principally hydantoin) analogues at the 5-position were synthesized and their pharmacological activities w... aid4923.table aid4923.tbin
4924 25 Title: Binding of O-alkyl derivatives of serotonin at human 5-HT1D beta receptors. Abstract: In humans, 5-HT1D serotonin receptors represent terminal autoreceptors, and there is some evidence that 5-HT1D ligands may be useful in the treatment of migraine. The most widely used 5-HT1D agonist is sumatriptan; however, this agent reportedly displays little selectivity for 5-HT1D versus 5-HT1A receptors. To identify novel serotonergic agents with enhanced 5-HT1D versus 5-HT1A selectivity, we attempte... aid4924.table aid4924.tbin
4925 4 Title: Binding of O-alkyl derivatives of serotonin at human 5-HT1D beta receptors. Abstract: In humans, 5-HT1D serotonin receptors represent terminal autoreceptors, and there is some evidence that 5-HT1D ligands may be useful in the treatment of migraine. The most widely used 5-HT1D agonist is sumatriptan; however, this agent reportedly displays little selectivity for 5-HT1D versus 5-HT1A receptors. To identify novel serotonergic agents with enhanced 5-HT1D versus 5-HT1A selectivity, we attempte... aid4925.table aid4925.tbin
4926 1 Title: Binding of O-alkyl derivatives of serotonin at human 5-HT1D beta receptors. Abstract: In humans, 5-HT1D serotonin receptors represent terminal autoreceptors, and there is some evidence that 5-HT1D ligands may be useful in the treatment of migraine. The most widely used 5-HT1D agonist is sumatriptan; however, this agent reportedly displays little selectivity for 5-HT1D versus 5-HT1A receptors. To identify novel serotonergic agents with enhanced 5-HT1D versus 5-HT1A selectivity, we attempte... aid4926.table aid4926.tbin
4927 1 Title: Binding of O-alkyl derivatives of serotonin at human 5-HT1D beta receptors. Abstract: In humans, 5-HT1D serotonin receptors represent terminal autoreceptors, and there is some evidence that 5-HT1D ligands may be useful in the treatment of migraine. The most widely used 5-HT1D agonist is sumatriptan; however, this agent reportedly displays little selectivity for 5-HT1D versus 5-HT1A receptors. To identify novel serotonergic agents with enhanced 5-HT1D versus 5-HT1A selectivity, we attempte... aid4927.table aid4927.tbin
4928 2 Title: Binding of O-alkyl derivatives of serotonin at human 5-HT1D beta receptors. Abstract: In humans, 5-HT1D serotonin receptors represent terminal autoreceptors, and there is some evidence that 5-HT1D ligands may be useful in the treatment of migraine. The most widely used 5-HT1D agonist is sumatriptan; however, this agent reportedly displays little selectivity for 5-HT1D versus 5-HT1A receptors. To identify novel serotonergic agents with enhanced 5-HT1D versus 5-HT1A selectivity, we attempte... aid4928.table aid4928.tbin
4929 3 Title: 5-(Nonyloxy)tryptamine: a novel high-affinity 5-HT1D beta serotonin receptor agonist. aid4929.table aid4929.tbin
4930 1 Title: 5-HT1D receptor agonist properties of novel 2-[5-[[(trifluoromethyl)sulfonyl]oxy]indolyl]ethylamines and their use as synthetic intermediates. Abstract: 2-[5-[[(trifluoromethyl)sulfonyl]oxy]-1H-indol-3-yl]ethylamine (18), its N,N-di-n-propyl (12), N,N-diethyl (13), and N,N-dimethyl (14) derivatives, and 4-[3-[2-(N,N-dimethylamino)ethyl]-1H-indol-3-yl]-N-(p-methoxybenzyl) acrylamide (GR46611, 19) were synthesized and tested for binding affinities to cloned 5-HT1A, 5-HT1D alpha, 5-HT1D beta... aid4930.table aid4930.tbin
4931 4 Title: 5-HT1D receptor agonist properties of novel 2-[5-[[(trifluoromethyl)sulfonyl]oxy]indolyl]ethylamines and their use as synthetic intermediates. Abstract: 2-[5-[[(trifluoromethyl)sulfonyl]oxy]-1H-indol-3-yl]ethylamine (18), its N,N-di-n-propyl (12), N,N-diethyl (13), and N,N-dimethyl (14) derivatives, and 4-[3-[2-(N,N-dimethylamino)ethyl]-1H-indol-3-yl]-N-(p-methoxybenzyl) acrylamide (GR46611, 19) were synthesized and tested for binding affinities to cloned 5-HT1A, 5-HT1D alpha, 5-HT1D beta... aid4931.table aid4931.tbin
4932 4 Title: 5-HT1D receptor agonist properties of novel 2-[5-[[(trifluoromethyl)sulfonyl]oxy]indolyl]ethylamines and their use as synthetic intermediates. Abstract: 2-[5-[[(trifluoromethyl)sulfonyl]oxy]-1H-indol-3-yl]ethylamine (18), its N,N-di-n-propyl (12), N,N-diethyl (13), and N,N-dimethyl (14) derivatives, and 4-[3-[2-(N,N-dimethylamino)ethyl]-1H-indol-3-yl]-N-(p-methoxybenzyl) acrylamide (GR46611, 19) were synthesized and tested for binding affinities to cloned 5-HT1A, 5-HT1D alpha, 5-HT1D beta... aid4932.table aid4932.tbin
4933 35 Title: Structure-activity relationships in the 8-amino-6,7,8,9-tetrahydro-3H-benz[e]indole ring system. 1. Effects of substituents in the aromatic system on serotonin and dopamine receptor subtypes. Abstract: A series of 1-, 3-, and 4-substituted analogs to the potent 5-HT1A against 8-(dipropylamino)-6,7,8,9-tetrahydro-3H-benz[e]indole-1-carbaldehyde (5) were prepared and tested in vitro at 5-HT1A, 5-HT1D alpha, 5-HT1D beta, D2, and D3 receptors and in vivo for agonist activity in the 5-HTP and ... aid4933.table aid4933.tbin
4934 22 Title: Synthesis and serotonergic activity of arylpiperazide derivatives of serotonin: potent agonists for 5-HT1D receptors. Abstract: A series of new arylpiperazide derivatives of serotonin has been prepared and evaluated as 5-HT1D receptor agonists. Binding experiments at cloned human 5-HT1D alpha, 5-HT1D beta, and 5-HT1A receptors show that all the compounds are very potent and selective ligands for 5-HT1D receptor subtypes. Functional activity studies (contraction of the New Zealand white ra... aid4934.table aid4934.tbin
4935 39 Title: Structure-activity relationships in the 8-amino-6,7,8,9-tetrahydro-3H-benz[e]indole ring system. 2. Effects of 8-amino nitrogen substitution on serotonin receptor binding and pharmacology. Abstract: A series of analogs of the potent and selective 5-HT1A agonist 8-(di-n-propylamino)-6,7,8,9-tetrahydro-3H-benz[e]indole-1-carbaldehyde (2b) (OSU191) was prepared in which the dipropylamino group was modified to bear a variety of substituents. These compounds were evaluated for both in vitro an... aid4935.table aid4935.tbin
4936 1 Compound was tested for its ability inhibit forskolin-stimulated activity of adenylate cyclase coupled to human 5-hydroxytryptamine 1D receptor beta in CHO-K1 cells; value ranges from 0.24-0.55 aid4936.table aid4936.tbin
4937 1 Compound was tested for its ability inhibit forskolin-stimulated activity of adenylate cyclase coupled to human 5-hydroxytryptamine 1D receptor beta in CHO-K1 cells; value ranges from 0.6-2.0 aid4937.table aid4937.tbin
4938 1 Compound was tested for its ability inhibit forskolin-stimulated activity of adenylate cyclase coupled to human 5-hydroxytryptamine 1D receptor beta in CHO-K1 cells; value ranges from 2.8-6.5 aid4938.table aid4938.tbin
4939 1 Compound was tested for its ability inhibit forskolin-stimulated activity of adenylate cyclase coupled to human 5-hydroxytryptamine 1D receptor beta in CHO-K1 cells; value ranges from 30-70 aid4939.table aid4939.tbin
4940 5 Binding affinity towards cloned human 5-hydroxytryptamine 1D receptor beta was determined aid4940.table aid4940.tbin
4941 1 Title: Computer-aided design and synthesis of 5-substituted tryptamines and their pharmacology at the 5-HT1D receptor: discovery of compounds with potential anti-migraine properties. Abstract: The design and synthesis of a series of novel 5-substituted tryptamines with pharmacological activity at 5-HT1D and other monoamine receptors is described. Structural modifications of N- and C-linked (principally hydantoin) analogues at the 5-position were synthesized and their pharmacological activities w... aid4941.table aid4941.tbin
4942 4 Title: Synthesis and evaluation of pharmacological and pharmacokinetic properties of monopropyl analogs of 5-, 7-, and 8-[[(trifluoromethyl)sulfonyl]oxy]-2-aminotetralins: central dopamine and serotonin receptor activity. Abstract: In order to explore further the structure-activity relationships of serotonergic and dopaminergic ligands, a series of enantiopure 5-, 7-, or 8-triflate (-OTf)-substituted 2-(monopropylamino)-tetralins have been synthesized and evaluated in in vitro binding and in viv... aid4942.table aid4942.tbin
4943 4 Title: Synthesis and evaluation of pharmacological and pharmacokinetic properties of monopropyl analogs of 5-, 7-, and 8-[[(trifluoromethyl)sulfonyl]oxy]-2-aminotetralins: central dopamine and serotonin receptor activity. Abstract: In order to explore further the structure-activity relationships of serotonergic and dopaminergic ligands, a series of enantiopure 5-, 7-, or 8-triflate (-OTf)-substituted 2-(monopropylamino)-tetralins have been synthesized and evaluated in in vitro binding and in viv... aid4943.table aid4943.tbin
4944 1 Title: Evolution of a novel series of [(N,N-dimethylamino)propyl]- and piperazinylbenzanilides as the first selective 5-HT1D antagonists. aid4944.table aid4944.tbin
4945 1 Title: 3-[3-(Piperidin-1-yl)propyl]indoles as highly selective h5-HT(1D) receptor agonists. Abstract: Several 5-HT(1D/1B) receptor agonists are now entering the marketplace as treatments for migraine. This paper describes the development of selective h5-HT(1D) receptor agonists as potential antimigraine agents which may produce fewer side effects. A series of 3-[3-(piperidin-1-yl)propyl]indoles has been synthesized which has led to the identification of 80 (L-772,405), a high-affinity h5-HT(1D) ... aid4945.table aid4945.tbin
4946 8 Inhibitory activity against 5-hydroxytryptamine 1E receptor subtype aid4946.table aid4946.tbin
4947 1 Inhibitory activity against 5-hydroxytryptamine 1E receptor subtype; NA denotes data not available aid4947.table aid4947.tbin
4948 11 Title: Synthesis of potent and selective dopamine D(4) antagonists as candidate radioligands. Abstract: A series of dopamine D(4) antagonists was synthesized and evaluated as potential candidates for development as positron emission tomography (PET) radioligands. All new compounds display high affinity and selectivity for the D(4) receptors and compounds 5b, 5d, and 5e were identified as candidates for radioligand development. aid4948.table aid4948.tbin
4949 1 Title: N-[3-(2-Dimethylaminoethyl)-2-methyl-1H- indol-5-yl]-4-fluorobenzamide: a potent, selective, and orally active 5-HT(1F) receptor agonist potentially useful for migraine therapy. Abstract: Recent studies have demonstrated that selective 5-HT(1F) receptor agonists inhibit neurogenic dural inflammation, a model of migraine headache, indicating that these compounds may be effective therapies for the treatment of migraine pain. This communication describes the synthesis and discovery of a nove... aid4949.table aid4949.tbin
4950 4 Title: 5-HT1 and 5-HT2 binding profiles of the serotonergic agents alpha-methylserotonin and 2-methylserotonin. Abstract: alpha-Methyl-5-hydroxytryptamine (alpha-Me-5-HT; 2) and 2-methyl-5-hydroxytryptamine (2-Me-5-HT; 3) are considered to be 5-HT2-selective and 5-HT3-selective agents, respectively. These agents were synthesized and examined at serotonin (5-HT) binding sites because there is relatively little documentation as to their selectivity and because they have not been previously examine... aid4950.table aid4950.tbin
4951 1 Title: N1-(Benzenesulfonyl)tryptamines as novel 5-HT6 antagonists. Abstract: N-Benzenesulfonyl-5-methoxy-N,N-dimethyltryptamine (BS/5-OMe DMT; 5) was shown to bind at human 5-HT6 serotonin receptors with high affinity (Ki = 2.3 nM) relative to serotonin (Ki = 78 nM). Structural variation failed to result in significantly enhanced affinity. BS/5-OMe DMT acts as an antagonist of 5-HT-stimulated adenylate cyclase (pA2 = 8.88 nM) and may represent the first member of a novel class of 5-HT6 antagonis... aid4951.table aid4951.tbin
4952 3 Title: 2-Substituted tryptamines: agents with selectivity for 5-HT(6) serotonin receptors. Abstract: Several 2-alkyl-5-methoxytryptamine analogues were designed and prepared as potential 5-HT(6) serotonin agonists. It was found that 5-HT(6) receptors accommodate small alkyl substituents at the indole 2-position and that the resulting compounds can bind with affinities comparable to that of serotonin. In particular, 2-ethyl-5-methoxy-N, N-dimethyltryptamine (8) binds with high affinity at human 5... aid4952.table aid4952.tbin
4953 2 Title: Novel potent 5-HT(1F) receptor agonists: structure-activity studies of a series of substituted N-[3-(1-methyl-4-piperidinyl)-1H-pyrrolo[3,2-b]pyridin-5-yl]amides. Abstract: Compound 1a (LY334370), a selective 5-HT(1F) receptor agonist (SSOFRA), inhibited dural inflammation in the neurogenic plasma protein extravasation model of migraine and demonstrated clinical efficacy for the acute treatment of migraine. Although 1a was greater than 100-fold selective over both the 5-HT(1B) and 5-HT(1D... aid4953.table aid4953.tbin
4954 1 Title: 5-Methyl-1-(3-pyridylcarbamoyl)-1,2,3,5-tetrahydropyrrolo[2,3-f]indole: a novel 5-HT2C/5-HT2B receptor antagonist with improved affinity, selectivity, and oral activity. Abstract: The preparation of a series of conformationally restricted analogues of indolylurea 1, namely tetrahydropyrroloindoles and tetrahydropyrroloquinolines, is described. The binding affinities of these compounds at 5-HT2A, 5-HT2B, and 5-HT2C receptors were determined. Of these compounds, the 1,2,3,5-tetrahydropyrrol... aid4954.table aid4954.tbin
4955 1 Title: Identification of a novel series of selective 5-HT7 receptor antagonists. Abstract: Novel 5-HT(7) receptor antagonists containing the benzocycloheptanone core were identified from high throughput screening. Molecular modelling and SAR studies have converted these intractable hits into a more potent, selective and tractable series, exemplified by compound (25), SB-691673. aid4955.table aid4955.tbin
4956 2 Title: A novel, potent, and selective 5-HT(7) antagonist: (R)-3-(2-(2-(4-methylpiperidin-1-yl)ethyl)pyrrolidine-1-sulfonyl) phen ol (SB-269970). aid4956.table aid4956.tbin
4957 5 Title: A novel, potent, and selective 5-HT(7) antagonist: (R)-3-(2-(2-(4-methylpiperidin-1-yl)ethyl)pyrrolidine-1-sulfonyl) phen ol (SB-269970). aid4957.table aid4957.tbin
4958 3 Title: A novel, potent, and selective 5-HT(7) antagonist: (R)-3-(2-(2-(4-methylpiperidin-1-yl)ethyl)pyrrolidine-1-sulfonyl) phen ol (SB-269970). aid4958.table aid4958.tbin
4959 1 Title: N-[(1-butyl-4-piperidinyl)methyl]-3,4dihydro-2H-[1,3]oxazino[3,2- a]indole10-carboxamide hydrochloride: the first potent and selective 5-HT4 receptor antagonist amide with oral activity. aid4959.table aid4959.tbin
4960 4 Title: Phenyl benzenesulfonamides are novel and selective 5-HT6 antagonists: identification of N-(2,5-dibromo-3-fluorophenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide (SB-357134). Abstract: Substituted N-phenyl-4-methoxy-3-piperazin-1-ylbenzenesulfonamides and conformationally restricted analogues have been identified as high affinity and selective 5-HT6 antagonists. Compounds from this series had a range of pharmacokinetic profiles in rat and in general there was a correlation between clear... aid4960.table aid4960.tbin
4961 1 Title: The selective 5-HT1B receptor inverse agonist 1'-methyl-5-[[2'-methyl-4'-(5-methyl-1,2, 4-oxadiazol-3-yl)biphenyl-4-yl]carbonyl]-2,3,6,7-tetrahydro- spiro[furo[2,3-f]indole-3,4'-piperidine] (SB-224289) potently blocks terminal 5-HT autoreceptor function both in vitro and in vivo. Abstract: 5-HT1 receptors are members of the G-protein-coupled receptor superfamily and are negatively linked to adenylyl cyclase activity. The human 5-HT1B and 5-HT1D receptors (previously known as 5-HT1Dbeta an... aid4961.table aid4961.tbin
4962 3 Title: 5-Chloro-N-(4-methoxy-3-piperazin-1-yl- phenyl)-3-methyl-2-benzothiophenesulfon- amide (SB-271046): a potent, selective, and orally bioavailable 5-HT6 receptor antagonist. aid4962.table aid4962.tbin
4963 1 Title: SB-656104-A: a novel 5-HT(7) receptor antagonist with improved in vivo properties. Abstract: A focused SAR study around the previously reported selective 5-HT(7) receptor antagonist, SB-269970-A has resulted in the identification of a structurally related analogue having an improved pharmacokinetic profile. Replacement of the phenolic group in SB-269970-A with an indole moiety, and replacement of the piperidinyl 4-methyl group with a heterocyclic ring system proved to be the key changes l... aid4963.table aid4963.tbin
4964 1 Title: (1-Butyl-4-piperidinyl)methyl 8-amino-7-chloro-1,4-benzodioxane-5-carboxylate hydrochloride: a highly potent and selective 5-HT4 receptor antagonist derived from metoclopramide. aid4964.table aid4964.tbin
4965 1 Title: N-(1-methyl-5-indolyl)-N'-(3-methyl-5-isothiazolyl)urea: a novel, high-affinity 5-HT2B receptor antagonist. aid4965.table aid4965.tbin
4966 1 Title: (R)-3,N-dimethyl-N-[1-methyl-3-(4-methyl-piperidin-1-yl) propyl]benzenesulfonamide: the first selective 5-HT7 receptor antagonist. aid4966.table aid4966.tbin
4967 5 Title: Bicyclic piperazinylbenzenesulphonamides are potent and selective 5-HT6 receptor antagonists. Abstract: The synthesis of novel 3-(octahydropyrido[1,2-a]pyrazin-2-yl)- and 3-(hexahydropyrrolo[1,2-a]pyrazin-2-yl)phenyl-2-benzo[b]thiophene sulphonamide derivatives 3, (S)-4 and (R)-4 is described. The compounds show high affinity for the 5-HT6 receptor, excellent selectivity against a range of other receptors and good brain penetration. aid4967.table aid4967.tbin
4968 3 Title: Conformationally restricted indolopiperidine derivatives as potent CCR2B receptor antagonists. Abstract: The preparation and biological evaluation of a series of indolopiperidine CCR2B receptor antagonists possessing a conformationally restricted C-5 linker chain in combination with a restricted piperidine ring are described. Compared to the parent compound 1, analogue 8 shows a dramatic improvement in selectivity against a range of 5-HT and dopaminergic receptors. aid4968.table aid4968.tbin
4969 2 Title: Conformationally restricted indolopiperidine derivatives as potent CCR2B receptor antagonists. Abstract: The preparation and biological evaluation of a series of indolopiperidine CCR2B receptor antagonists possessing a conformationally restricted C-5 linker chain in combination with a restricted piperidine ring are described. Compared to the parent compound 1, analogue 8 shows a dramatic improvement in selectivity against a range of 5-HT and dopaminergic receptors. aid4969.table aid4969.tbin
4970 2 Title: Selective, orally active 5-HT1D receptor agonists as potential antimigraine agents. aid4970.table aid4970.tbin
4971 4 Title: Lysergamides of isomeric 2,4-dimethylazetidines map the binding orientation of the diethylamide moiety in the potent hallucinogenic agent N,N-diethyllysergamide (LSD). Abstract: Lysergic acid amides were prepared from (R,R)-(-)-, (S,S)-(+)-, and cis-2,4-dimethyl azetidine. The dimethylazetidine moiety is considered here to be a rigid analogue of diethylamine, and thus, the target compounds are all conformationally constrained analogues of the potent hallucinogenic agent, N,N-diethyllyserg... aid4971.table aid4971.tbin
4972 1 Title: Novel potent 5-HT(1F) receptor agonists: structure-activity studies of a series of substituted N-[3-(1-methyl-4-piperidinyl)-1H-pyrrolo[3,2-b]pyridin-5-yl]amides. Abstract: Compound 1a (LY334370), a selective 5-HT(1F) receptor agonist (SSOFRA), inhibited dural inflammation in the neurogenic plasma protein extravasation model of migraine and demonstrated clinical efficacy for the acute treatment of migraine. Although 1a was greater than 100-fold selective over both the 5-HT(1B) and 5-HT(1D... aid4972.table aid4972.tbin
4973 10 Title: Novel potent 5-HT(1F) receptor agonists: structure-activity studies of a series of substituted N-[3-(1-methyl-4-piperidinyl)-1H-pyrrolo[3,2-b]pyridin-5-yl]amides. Abstract: Compound 1a (LY334370), a selective 5-HT(1F) receptor agonist (SSOFRA), inhibited dural inflammation in the neurogenic plasma protein extravasation model of migraine and demonstrated clinical efficacy for the acute treatment of migraine. Although 1a was greater than 100-fold selective over both the 5-HT(1B) and 5-HT(1D... aid4973.table aid4973.tbin
4974 3 Title: N-[3-(2-Dimethylaminoethyl)-2-methyl-1H- indol-5-yl]-4-fluorobenzamide: a potent, selective, and orally active 5-HT(1F) receptor agonist potentially useful for migraine therapy. Abstract: Recent studies have demonstrated that selective 5-HT(1F) receptor agonists inhibit neurogenic dural inflammation, a model of migraine headache, indicating that these compounds may be effective therapies for the treatment of migraine pain. This communication describes the synthesis and discovery of a nove... aid4974.table aid4974.tbin
4975 3 Title: N-[3-(2-Dimethylaminoethyl)-2-methyl-1H- indol-5-yl]-4-fluorobenzamide: a potent, selective, and orally active 5-HT(1F) receptor agonist potentially useful for migraine therapy. Abstract: Recent studies have demonstrated that selective 5-HT(1F) receptor agonists inhibit neurogenic dural inflammation, a model of migraine headache, indicating that these compounds may be effective therapies for the treatment of migraine pain. This communication describes the synthesis and discovery of a nove... aid4975.table aid4975.tbin
4976 11 Title: Novel potent 5-HT(1F) receptor agonists: structure-activity studies of a series of substituted N-[3-(1-methyl-4-piperidinyl)-1H-pyrrolo[3,2-b]pyridin-5-yl]amides. Abstract: Compound 1a (LY334370), a selective 5-HT(1F) receptor agonist (SSOFRA), inhibited dural inflammation in the neurogenic plasma protein extravasation model of migraine and demonstrated clinical efficacy for the acute treatment of migraine. Although 1a was greater than 100-fold selective over both the 5-HT(1B) and 5-HT(1D... aid4976.table aid4976.tbin
4977 2 Title: Selective, orally active 5-HT1D receptor agonists as potential antimigraine agents. aid4977.table aid4977.tbin
4978 1 Title: 3-[3-(Piperidin-1-yl)propyl]indoles as highly selective h5-HT(1D) receptor agonists. Abstract: Several 5-HT(1D/1B) receptor agonists are now entering the marketplace as treatments for migraine. This paper describes the development of selective h5-HT(1D) receptor agonists as potential antimigraine agents which may produce fewer side effects. A series of 3-[3-(piperidin-1-yl)propyl]indoles has been synthesized which has led to the identification of 80 (L-772,405), a high-affinity h5-HT(1D) ... aid4978.table aid4978.tbin
4979 1 Title: 6-Bicyclopiperazinyl-1-arylsulfonylindoles and 6-bicyclopiperidinyl-1-arylsulfonylindoles derivatives as novel, potent, and selective 5-HT6 receptor antagonists. Abstract: A novel series of 6-bicyclopiperazinyl-1-arylsulfonylindoles and 6-bicyclopiperidinyl-1-arylsulfonylindoles derivatives was synthesized and found to be potent and selective 5-HT6 receptor antagonists. aid4979.table aid4979.tbin
4980 6 Title: N-Arylsulfonylindole derivatives as serotonin 5-HT(6) receptor ligands. Abstract: A series of N(1)-arylsulfonyltryptamines were found to be potent ligands of the human serotonin 5-HT(6) receptor with the 5-methoxy-1-benzenesulfonyl analogue (19) having the highest affinity. Additionally, it was discovered that a group such as 3-(3-methoxybenzyl)-1,2,4-oxadiazol-5-yl in the 2-position of the indole ring (43) can replace the arylsulfonyl substituent in the 1-position with no loss of affinit... aid4980.table aid4980.tbin
4981 1 Title: N-Arylsulfonylindole derivatives as serotonin 5-HT(6) receptor ligands. Abstract: A series of N(1)-arylsulfonyltryptamines were found to be potent ligands of the human serotonin 5-HT(6) receptor with the 5-methoxy-1-benzenesulfonyl analogue (19) having the highest affinity. Additionally, it was discovered that a group such as 3-(3-methoxybenzyl)-1,2,4-oxadiazol-5-yl in the 2-position of the indole ring (43) can replace the arylsulfonyl substituent in the 1-position with no loss of affinit... aid4981.table aid4981.tbin
4982 2 Title: N-[3-(2-Dimethylaminoethyl)-2-methyl-1H- indol-5-yl]-4-fluorobenzamide: a potent, selective, and orally active 5-HT(1F) receptor agonist potentially useful for migraine therapy. Abstract: Recent studies have demonstrated that selective 5-HT(1F) receptor agonists inhibit neurogenic dural inflammation, a model of migraine headache, indicating that these compounds may be effective therapies for the treatment of migraine pain. This communication describes the synthesis and discovery of a nove... aid4982.table aid4982.tbin
4983 1 Title: N-[3-(2-Dimethylaminoethyl)-2-methyl-1H- indol-5-yl]-4-fluorobenzamide: a potent, selective, and orally active 5-HT(1F) receptor agonist potentially useful for migraine therapy. Abstract: Recent studies have demonstrated that selective 5-HT(1F) receptor agonists inhibit neurogenic dural inflammation, a model of migraine headache, indicating that these compounds may be effective therapies for the treatment of migraine pain. This communication describes the synthesis and discovery of a nove... aid4983.table aid4983.tbin
4984 1 Title: N-[3-(2-Dimethylaminoethyl)-2-methyl-1H- indol-5-yl]-4-fluorobenzamide: a potent, selective, and orally active 5-HT(1F) receptor agonist potentially useful for migraine therapy. Abstract: Recent studies have demonstrated that selective 5-HT(1F) receptor agonists inhibit neurogenic dural inflammation, a model of migraine headache, indicating that these compounds may be effective therapies for the treatment of migraine pain. This communication describes the synthesis and discovery of a nove... aid4984.table aid4984.tbin
4985 8 Title: Substituted furo[3,2-b]pyridines: novel bioisosteres of 5-HT 1F receptor agonists. Abstract: Synthesis and evaluation of a series of 2,3,5- and 3,5-substituted furo[3,2-b]pyridines were undertaken in order to investigate their utility as bioisosteres of 5-HT(1F) receptor agonist indole analogues, 1-3. The replacement proved to be effective, providing compounds with similar 5-HT(1F) receptor affinity and improved selectivity when compared with the indole analogues. Through these studies we... aid4985.table aid4985.tbin
4986 58 Title: Novel potent 5-HT(1F) receptor agonists: structure-activity studies of a series of substituted N-[3-(1-methyl-4-piperidinyl)-1H-pyrrolo[3,2-b]pyridin-5-yl]amides. Abstract: Compound 1a (LY334370), a selective 5-HT(1F) receptor agonist (SSOFRA), inhibited dural inflammation in the neurogenic plasma protein extravasation model of migraine and demonstrated clinical efficacy for the acute treatment of migraine. Although 1a was greater than 100-fold selective over both the 5-HT(1B) and 5-HT(1D... aid4986.table aid4986.tbin
4987 1 Title: Discovery of 4-[3-(trans-3-dimethylaminocyclobutyl)-1H-indol-5-ylmethyl]-(4S)-oxazolidin-2-one (4991W93), a 5HT(1B/1D) receptor partial agonist and a potent inhibitor of electrically induced plasma extravasation. Abstract: Utilizing a pharmacophoric model of binding of 3-(2-aminoethyl)indoles to 5HT(1B/1D) receptors, we identified the 3-aminocyclobutyl group as a potential ethylamine isostere. A novel multidimensional chemometric approach was used to predict the intrinsic activity (degree... aid4987.table aid4987.tbin
4988 1 Title: Identification of a novel series of selective 5-HT7 receptor antagonists. Abstract: Novel 5-HT(7) receptor antagonists containing the benzocycloheptanone core were identified from high throughput screening. Molecular modelling and SAR studies have converted these intractable hits into a more potent, selective and tractable series, exemplified by compound (25), SB-691673. aid4988.table aid4988.tbin
4989 8 Title: A novel, potent, and selective 5-HT(7) antagonist: (R)-3-(2-(2-(4-methylpiperidin-1-yl)ethyl)pyrrolidine-1-sulfonyl) phen ol (SB-269970). aid4989.table aid4989.tbin
4990 4 Title: Phenyl benzenesulfonamides are novel and selective 5-HT6 antagonists: identification of N-(2,5-dibromo-3-fluorophenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide (SB-357134). Abstract: Substituted N-phenyl-4-methoxy-3-piperazin-1-ylbenzenesulfonamides and conformationally restricted analogues have been identified as high affinity and selective 5-HT6 antagonists. Compounds from this series had a range of pharmacokinetic profiles in rat and in general there was a correlation between clear... aid4990.table aid4990.tbin
4991 1 Title: The selective 5-HT1B receptor inverse agonist 1'-methyl-5-[[2'-methyl-4'-(5-methyl-1,2, 4-oxadiazol-3-yl)biphenyl-4-yl]carbonyl]-2,3,6,7-tetrahydro- spiro[furo[2,3-f]indole-3,4'-piperidine] (SB-224289) potently blocks terminal 5-HT autoreceptor function both in vitro and in vivo. Abstract: 5-HT1 receptors are members of the G-protein-coupled receptor superfamily and are negatively linked to adenylyl cyclase activity. The human 5-HT1B and 5-HT1D receptors (previously known as 5-HT1Dbeta an... aid4991.table aid4991.tbin
4992 3 Title: 5-Chloro-N-(4-methoxy-3-piperazin-1-yl- phenyl)-3-methyl-2-benzothiophenesulfon- amide (SB-271046): a potent, selective, and orally bioavailable 5-HT6 receptor antagonist. aid4992.table aid4992.tbin
4993 1 Title: SB-656104-A: a novel 5-HT(7) receptor antagonist with improved in vivo properties. Abstract: A focused SAR study around the previously reported selective 5-HT(7) receptor antagonist, SB-269970-A has resulted in the identification of a structurally related analogue having an improved pharmacokinetic profile. Replacement of the phenolic group in SB-269970-A with an indole moiety, and replacement of the piperidinyl 4-methyl group with a heterocyclic ring system proved to be the key changes l... aid4993.table aid4993.tbin
4994 1 Title: (R)-3,N-dimethyl-N-[1-methyl-3-(4-methyl-piperidin-1-yl) propyl]benzenesulfonamide: the first selective 5-HT7 receptor antagonist. aid4994.table aid4994.tbin
4995 4 Title: Bicyclic piperazinylbenzenesulphonamides are potent and selective 5-HT6 receptor antagonists. Abstract: The synthesis of novel 3-(octahydropyrido[1,2-a]pyrazin-2-yl)- and 3-(hexahydropyrrolo[1,2-a]pyrazin-2-yl)phenyl-2-benzo[b]thiophene sulphonamide derivatives 3, (S)-4 and (R)-4 is described. The compounds show high affinity for the 5-HT6 receptor, excellent selectivity against a range of other receptors and good brain penetration. aid4995.table aid4995.tbin
4996 1 Title: Bicyclic piperazinylbenzenesulphonamides are potent and selective 5-HT6 receptor antagonists. Abstract: The synthesis of novel 3-(octahydropyrido[1,2-a]pyrazin-2-yl)- and 3-(hexahydropyrrolo[1,2-a]pyrazin-2-yl)phenyl-2-benzo[b]thiophene sulphonamide derivatives 3, (S)-4 and (R)-4 is described. The compounds show high affinity for the 5-HT6 receptor, excellent selectivity against a range of other receptors and good brain penetration. aid4996.table aid4996.tbin
4997 3 Title: Conformationally restricted indolopiperidine derivatives as potent CCR2B receptor antagonists. Abstract: The preparation and biological evaluation of a series of indolopiperidine CCR2B receptor antagonists possessing a conformationally restricted C-5 linker chain in combination with a restricted piperidine ring are described. Compared to the parent compound 1, analogue 8 shows a dramatic improvement in selectivity against a range of 5-HT and dopaminergic receptors. aid4997.table aid4997.tbin
4998 2 Title: Conformationally restricted indolopiperidine derivatives as potent CCR2B receptor antagonists. Abstract: The preparation and biological evaluation of a series of indolopiperidine CCR2B receptor antagonists possessing a conformationally restricted C-5 linker chain in combination with a restricted piperidine ring are described. Compared to the parent compound 1, analogue 8 shows a dramatic improvement in selectivity against a range of 5-HT and dopaminergic receptors. aid4998.table aid4998.tbin
4999 1 Title: 1-(Bicyclopiperazinyl)ethylindoles and 1-(homopiperazinyl)ethyl-indoles as highly selective and potent 5-HT(7) receptor ligands. Abstract: A novel series of 1-(bicyclopiperazinyl)ethylindole and 1-(homopiperazinyl)ethyl-indole derivatives was synthesized and found to be potent and selective 5-HT(7) receptor ligands. aid4999.table aid4999.tbin
5000 3 Title: Binding of phenylalkylamine derivatives at 5-HT1C and 5-HT2 serotonin receptors: evidence for a lack of selectivity. Abstract: Certain phenylalkylamine derivatives have been considered to bind selectively at 5-HT2 serotonin receptors. It is now recognized that the most widely used derivatives, i.e., 1-(2,5-dimethoxy-4-X-phenyl)-2-aminopropanes where X = Me (DOM), Br (DOB), and I (DOI) (1-3, respectively) also bind at the more recently identified population of serotonin 5-HT1C receptors. T... aid5000.table aid5000.tbin
5001 1 Title: Binding of phenylalkylamine derivatives at 5-HT1C and 5-HT2 serotonin receptors: evidence for a lack of selectivity. Abstract: Certain phenylalkylamine derivatives have been considered to bind selectively at 5-HT2 serotonin receptors. It is now recognized that the most widely used derivatives, i.e., 1-(2,5-dimethoxy-4-X-phenyl)-2-aminopropanes where X = Me (DOM), Br (DOB), and I (DOI) (1-3, respectively) also bind at the more recently identified population of serotonin 5-HT1C receptors. T... aid5001.table aid5001.tbin
5002 1 Title: Binding of phenylalkylamine derivatives at 5-HT1C and 5-HT2 serotonin receptors: evidence for a lack of selectivity. Abstract: Certain phenylalkylamine derivatives have been considered to bind selectively at 5-HT2 serotonin receptors. It is now recognized that the most widely used derivatives, i.e., 1-(2,5-dimethoxy-4-X-phenyl)-2-aminopropanes where X = Me (DOM), Br (DOB), and I (DOI) (1-3, respectively) also bind at the more recently identified population of serotonin 5-HT1C receptors. T... aid5002.table aid5002.tbin
5003 1 Title: Dihydrobenzofuran analogues of hallucinogens. 4. Mescaline derivatives. Abstract: Dihydrobenzofuran and tetrahydrobenzodifuran functionalities were employed as conformationally restricted bioisosteres of the aromatic methoxy groups in the prototypical hallucinogen, mescaline (1). Thus, 4-(2-aminoethyl)-6,7-dimethoxy-2,3-dihydrobenzofuran hydrochloride (8) and 1-(8-methoxy-2,3,5,6-tetrahydrobenzo[1,2-b:5,4-b']difuran-4-yl)-2- aminoethane hydrochloride (9) were prepared and evaluated along ... aid5003.table aid5003.tbin
5004 1 Title: Syntheses and 5-HT2 antagonist activity of bicyclic 1,2,4-triazol-3(2H)-one and 1,3,5-triazine-2,4(3H)-dione derivatives. Abstract: A series of bicyclic 1,2,4-triazol-3(2H)-one and 1,3,5-triazine-2,4(3H)-dione derivatives with a 4-[bis(4-fluoro-phenyl)methylene]piperidine or 4-(4-fluorobenzoyl)piperidine group has been prepared and tested for 5-HT2 and alpha 1 receptor antagonist activity. Among the compounds prepared, 2-[2-[4-[bis(4-fluorophenyl)methylene]-piperidin-1-yl]ethyl]- 5,6,7,8-... aid5004.table aid5004.tbin
5005 1 Title: Syntheses and 5-HT2 antagonist activity of bicyclic 1,2,4-triazol-3(2H)-one and 1,3,5-triazine-2,4(3H)-dione derivatives. Abstract: A series of bicyclic 1,2,4-triazol-3(2H)-one and 1,3,5-triazine-2,4(3H)-dione derivatives with a 4-[bis(4-fluoro-phenyl)methylene]piperidine or 4-(4-fluorobenzoyl)piperidine group has been prepared and tested for 5-HT2 and alpha 1 receptor antagonist activity. Among the compounds prepared, 2-[2-[4-[bis(4-fluorophenyl)methylene]-piperidin-1-yl]ethyl]- 5,6,7,8-... aid5005.table aid5005.tbin
5006 34 Title: 3,4-Dihydro-3-amino-2H-1-benzopyran derivatives as 5-HT1A receptor ligands and potential anxiolytic agents. 1. Synthesis and structure--activity relationship studies. Abstract: A series of 3,4-dihydro-3-amino-2H-1-benzopyran derivatives were prepared in order to determine the necessary structural requirements for good affinity for 5-HT1A receptors and high selectivity versus other receptors. Modifications of the extracyclic amino substituents, the length of the alkyl side chains, and thei... aid5006.table aid5006.tbin
5007 19 Title: 3-amino-3,4-dihydro-2H-1-benzopyran derivatives as 5-HT1A receptor ligands and potential anxiolytic agents. 2. Synthesis and quantitative structure-activity relationship studies of spiro[pyrrolidine- and piperidine-2,3'(2'H)-benzopyrans]. Abstract: In continuation of our work on 3-amino-3,4-dihydro-2H-1-benzopyran derivatives with high affinity for 5-HT1A receptors, we have prepared rigid spirobenzopyran analogues designed from the pharmacophore models of Mellin and selected via a quantit... aid5007.table aid5007.tbin
5008 14 Title: New benzocycloalkylpiperazines, potent and selective 5-HT1A receptor ligands. Abstract: A series of 1-(benzocycloalkyl)-4-(benzamidolkyl)piperazine derivatives was prepared in order to obtain compounds with a high affinity and selectivity for 5-HT1A receptors. The modifications of aromatic substituents, the length of the alkyl chain, and the size of the ring were explored. Most of N-(1,2,3,4-tetrahydronaphthyl)-N'-(benzamidoethyl)piperazines (32-37) were bound to 5-HT1A receptors in a nan... aid5008.table aid5008.tbin
5009 6 Title: New benzocycloalkylpiperazines, potent and selective 5-HT1A receptor ligands. Abstract: A series of 1-(benzocycloalkyl)-4-(benzamidolkyl)piperazine derivatives was prepared in order to obtain compounds with a high affinity and selectivity for 5-HT1A receptors. The modifications of aromatic substituents, the length of the alkyl chain, and the size of the ring were explored. Most of N-(1,2,3,4-tetrahydronaphthyl)-N'-(benzamidoethyl)piperazines (32-37) were bound to 5-HT1A receptors in a nan... aid5009.table aid5009.tbin
5010 1 Title: New benzocycloalkylpiperazines, potent and selective 5-HT1A receptor ligands. Abstract: A series of 1-(benzocycloalkyl)-4-(benzamidolkyl)piperazine derivatives was prepared in order to obtain compounds with a high affinity and selectivity for 5-HT1A receptors. The modifications of aromatic substituents, the length of the alkyl chain, and the size of the ring were explored. Most of N-(1,2,3,4-tetrahydronaphthyl)-N'-(benzamidoethyl)piperazines (32-37) were bound to 5-HT1A receptors in a nan... aid5010.table aid5010.tbin
5011 33 Title: Piperidinyltetralin sigma ligands. Abstract: Sigma receptor ligands have been proposed to be potential antipsychotic drugs based on their activity profile in animal behavioral models and their indirect modulation of dopaminergic function. Compound 15 (DuP 734) is a combined antagonist of sigma-1 and serotonin 5HT2 receptors, which has been entered into phase I clinical trials as a potential antipsychotic drug. Tetralins 1 and 2 were prepared to determine whether restriction of the conform... aid5011.table aid5011.tbin
5012 9 Title: (+)-cis-N-ethyleneamino-N-normetazocine derivatives. Novel and selective sigma ligands with antagonist properties. Abstract: A series of (+)-cis-N-normetazocine derivatives has been described, and their affinities for sigma1, sigma2, and phencyclidine (PCP) sites and opioid, muscarinic (M2), dopamine (D2), and serotonin (5-HT2) receptors were evaluated. The effect of the N-substitution with a substituted ethylamino spacer was investigated. Compounds 8c-11c displayed high affinities for si... aid5012.table aid5012.tbin
5013 7 Title: 1'-Benzyl-3,4-dihydrospiro[2H-1- benzothiopyran-2,4'-piperidine] (spipethiane), a potent and highly selective sigma1 ligand. aid5013.table aid5013.tbin
5014 1 Title: 1H-Pyrazolo-[3,4-c]cyclophepta[1,2-c]thiophenes: a unique structural class of dopamine D4 selective ligands. Abstract: A series of novel 1H-pyrazolo-[3,4-c]cyclophepta[1,2-c]thiophenes was prepared and screened at selected dopamine receptor subtypes. Compound 4 (NGB 4420) displayed high affinity and selectivity (&gt;100-fold) for the D(4) over D(2) and other CNS receptors. This compound was identified as a D(4) antagonist via its attenuation of dopamine agonist-induced GTPgamma(35)S bindi... aid5014.table aid5014.tbin
5015 1 Title: Current and novel approaches to the drug treatment of schizophrenia. aid5015.table aid5015.tbin
5016 4 In vitro binding affinity of compound against neuronal 5-hydroxytryptamine 2 receptor aid5016.table aid5016.tbin
5017 1 Title: New tetrahydrobenzindoles as potent and selective 5-HT(7) antagonists with increased In vitro metabolic stability. Abstract: Chemical modifications of compound 1 (DR4004), a potent, selective antagonist of the 5-HT(7) receptor, were conducted with the aim of improving its metabolic stability. Halogenation of putative sites of oxidative metabolism afforded compounds 7-10, which retained high affinity and selectivity for the 5-HT(7) receptor, and showed increased in vitro metabolic stabilit... aid5017.table aid5017.tbin
5018 8 Title: Bridged gamma-carbolines and derivatives possessing selective and combined affinity for 5-HT2 and D2 receptors. Abstract: A series of 5,6,7,8,9,10-hexahydro-7,10-iminocyclohept[b]indoles and 6,7,8,9,10,11-hexahydro-7,11-imino-5H-cyclooct[b]indoles was prepared. Structural modifications of the lead compound, 11-[4-(4-fluorobenzoyl)propyl]-5,6,7,8,9,10-hexahydro-7,10- iminocyclohept[b]indole (5, Ki = 0.82 nM vs [3H]ketanserin) enabled the identification of the functionality necessary for hi... aid5018.table aid5018.tbin
5019 1 Title: Synthesis and serotonin binding site studies of some conformationally restricted indolylethylamine analogues based on 2-amino-3-(3'-indolyl)bicyclo[2.2.2]octane. Abstract: The bicycloannulation reaction between cyclohexenone and indolyl enamines yields trans-3-(cyclic amino)-2-(3'-indolyl)bicyclo[2.2.2]octan-5-ones, and these adducts are conformationally restricted analogues of indolylethylamine (tryptamine) which exhibit structure-dependent affinity for the serotonin 5HT2 and 5HT1a recep... aid5019.table aid5019.tbin
5020 20 Title: Synthesis and evaluation of heterocyclic carboxamides as potential antipsychotic agents. Abstract: Heterocyclic analogues of 1192U90, 2-amino-N-(4-(4-(1,2-benzisothiazol-3-yl)-1-piperazinyl)-butyl) benzamide hydrochloride (1), were prepared and evaluated as potential antipsychotic agents. These analogues were evaluated in vitro for their binding to the dopamine D2, serotonin 5-HT2, and serotonin 5-HT1a receptors and in vivo for their ability to antagonize the apomorphine-induced climbing ... aid5020.table aid5020.tbin
5021 6 Title: Synthesis and serotonin binding site studies of some conformationally restricted indolylethylamine analogues based on 2-amino-3-(3'-indolyl)bicyclo[2.2.2]octane. Abstract: The bicycloannulation reaction between cyclohexenone and indolyl enamines yields trans-3-(cyclic amino)-2-(3'-indolyl)bicyclo[2.2.2]octan-5-ones, and these adducts are conformationally restricted analogues of indolylethylamine (tryptamine) which exhibit structure-dependent affinity for the serotonin 5HT2 and 5HT1a recep... aid5021.table aid5021.tbin
5022 1 Title: Bridged gamma-carbolines and derivatives possessing selective and combined affinity for 5-HT2 and D2 receptors. Abstract: A series of 5,6,7,8,9,10-hexahydro-7,10-iminocyclohept[b]indoles and 6,7,8,9,10,11-hexahydro-7,11-imino-5H-cyclooct[b]indoles was prepared. Structural modifications of the lead compound, 11-[4-(4-fluorobenzoyl)propyl]-5,6,7,8,9,10-hexahydro-7,10- iminocyclohept[b]indole (5, Ki = 0.82 nM vs [3H]ketanserin) enabled the identification of the functionality necessary for hi... aid5022.table aid5022.tbin
5023 6 Title: Synthesis and serotonin binding site studies of some conformationally restricted indolylethylamine analogues based on 2-amino-3-(3'-indolyl)bicyclo[2.2.2]octane. Abstract: The bicycloannulation reaction between cyclohexenone and indolyl enamines yields trans-3-(cyclic amino)-2-(3'-indolyl)bicyclo[2.2.2]octan-5-ones, and these adducts are conformationally restricted analogues of indolylethylamine (tryptamine) which exhibit structure-dependent affinity for the serotonin 5HT2 and 5HT1a recep... aid5023.table aid5023.tbin
5024 1 Title: Novel piperidine sigma receptor ligands as potential antipsychotic drugs. Abstract: sigma receptor ligands represent a new class of potential antipsychotic drugs. This paper presents the structure-activity relationships leading to novel disubstituted piperidine sigma ligands, which have little or no affinity for dopamine D2 receptors. Selectivity for sigma sites over dopamine D2 or serotonin 5-HT2 receptors appears to be governed by the chemical nature of the piperidine nitrogen substitue... aid5024.table aid5024.tbin
5025 104 Title: Novel piperidine sigma receptor ligands as potential antipsychotic drugs. Abstract: sigma receptor ligands represent a new class of potential antipsychotic drugs. This paper presents the structure-activity relationships leading to novel disubstituted piperidine sigma ligands, which have little or no affinity for dopamine D2 receptors. Selectivity for sigma sites over dopamine D2 or serotonin 5-HT2 receptors appears to be governed by the chemical nature of the piperidine nitrogen substitue... aid5025.table aid5025.tbin
5026 1 Title: Novel piperidine sigma receptor ligands as potential antipsychotic drugs. Abstract: sigma receptor ligands represent a new class of potential antipsychotic drugs. This paper presents the structure-activity relationships leading to novel disubstituted piperidine sigma ligands, which have little or no affinity for dopamine D2 receptors. Selectivity for sigma sites over dopamine D2 or serotonin 5-HT2 receptors appears to be governed by the chemical nature of the piperidine nitrogen substitue... aid5026.table aid5026.tbin
5027 5 Title: Synthesis and serotonin binding site studies of some conformationally restricted indolylethylamine analogues based on 2-amino-3-(3'-indolyl)bicyclo[2.2.2]octane. Abstract: The bicycloannulation reaction between cyclohexenone and indolyl enamines yields trans-3-(cyclic amino)-2-(3'-indolyl)bicyclo[2.2.2]octan-5-ones, and these adducts are conformationally restricted analogues of indolylethylamine (tryptamine) which exhibit structure-dependent affinity for the serotonin 5HT2 and 5HT1a recep... aid5027.table aid5027.tbin
5028 4 Title: Interactive SAR studies: rational discovery of super-potent and highly selective dopamine D3 receptor antagonists and partial agonists. Abstract: Starting from dopamine receptor ligand BP897, an interactive drug discovery process leading to heterocyclic bioisosteres is demonstrated. The four step strategy involved a careful optimization of geometric and electronic properties by systematic modification of the attachment points and heteroatoms, respectively. Efficacy tuning by modification ... aid5028.table aid5028.tbin
5029 9 Title: Interactive SAR studies: rational discovery of super-potent and highly selective dopamine D3 receptor antagonists and partial agonists. Abstract: Starting from dopamine receptor ligand BP897, an interactive drug discovery process leading to heterocyclic bioisosteres is demonstrated. The four step strategy involved a careful optimization of geometric and electronic properties by systematic modification of the attachment points and heteroatoms, respectively. Efficacy tuning by modification ... aid5029.table aid5029.tbin
5030 2 Title: Di- and trisubstituted pyrazolo[1,5-a]pyridine derivatives: synthesis, dopamine receptor binding and ligand efficacy. Abstract: Based on the lead molecule FAUC 113, a series of di- and trisubstituted pyrazolo[1,5-a]pyridine derivatives was synthesized and investigated for their dopamine receptor binding profile. The carbonitrile 11a (FAUC 327) showed excellent pharmacological properties combining high D4 affinity (K(i)=1.5 nM) and selectivity with significant intrinsic activity (31%) in l... aid5030.table aid5030.tbin
5031 1 Title: Benzamide bioisosteres incorporating dihydroheteroazole substructures: EPC synthesis and SAR leading to a selective dopamine D4 receptor partial agonist (FAUC 179). Abstract: Conformationally restricted benzamide bioisosteres were investigated when the chiral phenyldihydroimidazole derivative 4e (FAUC 179) showed strong and highly selective dopamine D4 receptor binding (K(i)high=0.95nM). Mitogenesis experiments indicated partial agonist properties (42%). EPC syntheses of the target compou... aid5031.table aid5031.tbin
5032 1 Title: Tetrahydrothienopyridylbutyl-tetrahydrobenzindoles: new selective ligands of the 5-HT(7) receptor. Abstract: The synthesis and the affinity for the 5-HT(7) receptor and other receptors of a novel series of fused-ring tetrahydropyridine derivatives are described. Some of the compounds showed high affinity for the 5-HT(7) receptor. Tetrahydrothienopyridylbutyl-tetrahydrobenzindoles and are potent ligands for the 5-HT(7) receptor, with high selectivity over the 5-HT(2) receptor and other rec... aid5032.table aid5032.tbin
5033 1 Title: A series of 6- and 7-piperazinyl- and -piperidinylmethylbenzoxazinones with dopamine D4 antagonist activity: discovery of a potential atypical antipsychotic agent. Abstract: As part of a program to develop dopamine D4 antagonists for the treatment of schizophrenia, we discovered a series of 6- and 7-(phenylpiperazinyl)- and -(phenylpiperidinyl)methylbenzoxazinones through mass screening of our compound library. A structure-activity relationship SAR study was carried out involving substitu... aid5033.table aid5033.tbin
5034 1 Title: A series of 6- and 7-piperazinyl- and -piperidinylmethylbenzoxazinones with dopamine D4 antagonist activity: discovery of a potential atypical antipsychotic agent. Abstract: As part of a program to develop dopamine D4 antagonists for the treatment of schizophrenia, we discovered a series of 6- and 7-(phenylpiperazinyl)- and -(phenylpiperidinyl)methylbenzoxazinones through mass screening of our compound library. A structure-activity relationship SAR study was carried out involving substitu... aid5034.table aid5034.tbin
5035 36 Title: Bridged gamma-carbolines and derivatives possessing selective and combined affinity for 5-HT2 and D2 receptors. Abstract: A series of 5,6,7,8,9,10-hexahydro-7,10-iminocyclohept[b]indoles and 6,7,8,9,10,11-hexahydro-7,11-imino-5H-cyclooct[b]indoles was prepared. Structural modifications of the lead compound, 11-[4-(4-fluorobenzoyl)propyl]-5,6,7,8,9,10-hexahydro-7,10- iminocyclohept[b]indole (5, Ki = 0.82 nM vs [3H]ketanserin) enabled the identification of the functionality necessary for hi... aid5035.table aid5035.tbin
5036 1 Title: In vitro labeling of serotonin-S2 receptors: synthesis and binding characteristics of [3H]-7-aminoketanserin. Abstract: [3H]-7-Aminoketanserin (7-amino-3-[2-[4-(2-tritio-4-fluorobenzoyl)-1- piperidinyl]ethyl]-2,4-(1H,3H)-quinazolinedione), an amino derivative of the selective serotonin-S2 antagonist ketanserin, was synthesized and tested for in vitro labeling of serotonin-S2 receptors. The compound showed a very high affinity for both membrane-bound and detergent-solubilized serotonin-S2 ... aid5036.table aid5036.tbin
5037 10 Title: 6-Methylergoline-8-carboxylic acid esters as serotonin antagonists: N1-substituent effects on 5HT2 receptor affinity. Abstract: Three series of 6-methylergoline-8-carboxylic acid esters with various alkyl substituents in the N1-position were prepared and their 5HT2 receptor affinities measured. Some overlap occurred in the 5HT2 receptor affinities of the different ester series, indicating that both the ester side chain and the indole substituent influenced 5HT2 receptor affinity. While 5H... aid5037.table aid5037.tbin
5038 27 Title: 6-Methylergoline-8-carboxylic acid esters as serotonin antagonists: N1-substituent effects on 5HT2 receptor affinity. Abstract: Three series of 6-methylergoline-8-carboxylic acid esters with various alkyl substituents in the N1-position were prepared and their 5HT2 receptor affinities measured. Some overlap occurred in the 5HT2 receptor affinities of the different ester series, indicating that both the ester side chain and the indole substituent influenced 5HT2 receptor affinity. While 5H... aid5038.table aid5038.tbin
5039 3 Title: 6-Methylergoline-8-carboxylic acid esters as serotonin antagonists: N1-substituent effects on 5HT2 receptor affinity. Abstract: Three series of 6-methylergoline-8-carboxylic acid esters with various alkyl substituents in the N1-position were prepared and their 5HT2 receptor affinities measured. Some overlap occurred in the 5HT2 receptor affinities of the different ester series, indicating that both the ester side chain and the indole substituent influenced 5HT2 receptor affinity. While 5H... aid5039.table aid5039.tbin
5040 31 Title: (8 beta)-6-methylergoline amide derivatives as serotonin antagonists: N1-substituent effects on vascular 5HT2 receptor activity. Abstract: A series of (8 beta)-6-methylergoline amide derivatives was synthesized with various alkyl substituents in the N1-position in order to evaluate their effectiveness in blocking vascular 5HT2 receptors. The influence of both the N1 substituent and amide derivative proved to be of great importance on binding affinities to vascular 5HT2 receptors. Within e... aid5040.table aid5040.tbin
5041 24 Title: (8 beta)-Ergoline-8-carboxylic acid cycloalkyl esters as serotonin antagonists: structure-activity study. Abstract: A series of (8 beta)-6-methyl-1-(1-methylethyl)ergoline-8-carboxylic acid cycloalkyl esters were prepared and examined for blockade of vascular 5HT2 receptors. The antagonist in this series that had the highest 5HT2 receptor affinity was (8 beta)-6-methyl-1-(1-methylethyl)ergoline-8-carboxylic acid cyclohexyl ester. This compound was therefore chosen as the basic backbone of... aid5041.table aid5041.tbin
5042 16 Title: Pyridobenzoxazepine and pyridobenzothiazepine derivatives as potential central nervous system agents: synthesis and neurochemical study. Abstract: In order to characterize the pharmacological profile of the different chemical classes of pyridobenzazepine derivatives, a series of N-methylpiperazinopyrido[1,4]- and -[1,5]- benzoxa- and benzothiazepine derivatives were prepared. The affinities for D2, D1, 5-HT2, and cholinergic (M) receptors were measured. In comparison to dibenzazepine refe... aid5042.table aid5042.tbin
5043 4 Title: 7-Methyl-6,7,8,9,14,15-hexahydro-5H-benz[d]indolo[2,3-g]azecine: a new heterocyclic system and a new lead compound for dopamine receptor antagonists. Abstract: Partially hydrogenated derivatives of the new heterocyclic ring systems benz[d]indolo[2,3-g]azecine and bisindolo[3,2-d][2, 3-g]azecine were synthesized starting from lactones and amines via the described synthetic methods. In binding assays with rat striatal receptors, 7-methyl-6,7,8,9,14,15-hexahydro-5H-benz[d]indolo[2, 3-g]azeci... aid5043.table aid5043.tbin
5044 1 Tested for the effect on binding at 5-hydroxytryptamine 2 receptor; No activity aid5044.table aid5044.tbin
5045 1 Title: 2-Phenyl-2-(1-hydroxycycloalkyl)ethylamine derivatives: synthesis and antidepressant activity. Abstract: A series of 2-phenyl-2-(1-hydroxycycloalkyl)ethylamine derivatives was examined for the ability to inhibit both rat brain imipramine receptor binding and the synaptosomal uptake of norepinephrine (NE) and serotonin (5-HT). Neurotransmitter uptake inhibition was highest for a subset of 2-phenyl-2-(1-hydroxycyclohexyl)dimethylethylamines in which the aryl ring has a halogen or methoxy su... aid5045.table aid5045.tbin
5046 1 Title: 2-Phenyl-2-(1-hydroxycycloalkyl)ethylamine derivatives: synthesis and antidepressant activity. Abstract: A series of 2-phenyl-2-(1-hydroxycycloalkyl)ethylamine derivatives was examined for the ability to inhibit both rat brain imipramine receptor binding and the synaptosomal uptake of norepinephrine (NE) and serotonin (5-HT). Neurotransmitter uptake inhibition was highest for a subset of 2-phenyl-2-(1-hydroxycyclohexyl)dimethylethylamines in which the aryl ring has a halogen or methoxy su... aid5046.table aid5046.tbin
5047 2 Title: Synthesis and biological evaluation of 1-(1,2-benzisothiazol-3-yl)- and (1,2-benzisoxazol-3-yl)piperazine derivatives as potential antipsychotic agents. Abstract: Members of the series of title compounds were tested for potential antipsychotic activity in relevant receptor binding assays and behavioral screens. Structure-activity relationships within the series are discussed. Compound 24 (BMY 13859-1), a (1,2-benzisothiazol-3-yl)piperazine derivative, was selected for further study becaus... aid5047.table aid5047.tbin
5048 8 Title: 2H-[1]benzopyrano[3,4-b]pyridines: synthesis and activity at central monoamine receptors. Abstract: Two general synthetic approaches to a novel series of 2H-[1]benzopyrano[3,4-b]pyridines are described together with their receptor binding profile at a variety of monoamine receptors in mammalian brain tissue. The biologically active members of this series fall into into one of two broad classes: 3,4,4a,5-tetrahydro-2H-[1]benzopyrano[3,4-b]pyridines or trans-1,3,4,4a,5,10b-hexahydro-2H-[1]b... aid5048.table aid5048.tbin
5049 1 Title: 2H-[1]benzopyrano[3,4-b]pyridines: synthesis and activity at central monoamine receptors. Abstract: Two general synthetic approaches to a novel series of 2H-[1]benzopyrano[3,4-b]pyridines are described together with their receptor binding profile at a variety of monoamine receptors in mammalian brain tissue. The biologically active members of this series fall into into one of two broad classes: 3,4,4a,5-tetrahydro-2H-[1]benzopyrano[3,4-b]pyridines or trans-1,3,4,4a,5,10b-hexahydro-2H-[1]b... aid5049.table aid5049.tbin
5050 1 Title: Noncataleptogenic, centrally acting dopamine D-2 and serotonin 5-HT2 antagonists within a series of 3-substituted 1-(4-fluorophenyl)-1H-indoles. Abstract: A series of 1-(4-fluorophenyl)-1H-indoles substituted at the 3-position with 1-piperazinyl, 1,2,3,6-tetrahydro-4-pyridinyl, and 4-piperidinyl was synthesized. Within all three subseries potent dopamine D-2 and serotonin 5-HT2 receptor affinity was found in ligand binding studies. Quipazine-induced head twitches in rats were inhibited by... aid5050.table aid5050.tbin
5051 1 Title: Noncataleptogenic, centrally acting dopamine D-2 and serotonin 5-HT2 antagonists within a series of 3-substituted 1-(4-fluorophenyl)-1H-indoles. Abstract: A series of 1-(4-fluorophenyl)-1H-indoles substituted at the 3-position with 1-piperazinyl, 1,2,3,6-tetrahydro-4-pyridinyl, and 4-piperidinyl was synthesized. Within all three subseries potent dopamine D-2 and serotonin 5-HT2 receptor affinity was found in ligand binding studies. Quipazine-induced head twitches in rats were inhibited by... aid5051.table aid5051.tbin
5052 1 Title: Noncataleptogenic, centrally acting dopamine D-2 and serotonin 5-HT2 antagonists within a series of 3-substituted 1-(4-fluorophenyl)-1H-indoles. Abstract: A series of 1-(4-fluorophenyl)-1H-indoles substituted at the 3-position with 1-piperazinyl, 1,2,3,6-tetrahydro-4-pyridinyl, and 4-piperidinyl was synthesized. Within all three subseries potent dopamine D-2 and serotonin 5-HT2 receptor affinity was found in ligand binding studies. Quipazine-induced head twitches in rats were inhibited by... aid5052.table aid5052.tbin
5053 3 Title: Noncataleptogenic, centrally acting dopamine D-2 and serotonin 5-HT2 antagonists within a series of 3-substituted 1-(4-fluorophenyl)-1H-indoles. Abstract: A series of 1-(4-fluorophenyl)-1H-indoles substituted at the 3-position with 1-piperazinyl, 1,2,3,6-tetrahydro-4-pyridinyl, and 4-piperidinyl was synthesized. Within all three subseries potent dopamine D-2 and serotonin 5-HT2 receptor affinity was found in ligand binding studies. Quipazine-induced head twitches in rats were inhibited by... aid5053.table aid5053.tbin
5054 1 Title: Noncataleptogenic, centrally acting dopamine D-2 and serotonin 5-HT2 antagonists within a series of 3-substituted 1-(4-fluorophenyl)-1H-indoles. Abstract: A series of 1-(4-fluorophenyl)-1H-indoles substituted at the 3-position with 1-piperazinyl, 1,2,3,6-tetrahydro-4-pyridinyl, and 4-piperidinyl was synthesized. Within all three subseries potent dopamine D-2 and serotonin 5-HT2 receptor affinity was found in ligand binding studies. Quipazine-induced head twitches in rats were inhibited by... aid5054.table aid5054.tbin
5055 6 Title: The thieno[3,2-c]pyridine and furo[3,2-c]pyridine rings: new pharmacophores with potential antipsychotic activity. Abstract: Two new arylpiperazine derivatives, the 4-(1-piperazinyl)thieno- and -furo[3,2-c]pyridine ring systems, have been synthesized and appended via tetramethylene chains to various imide rings. Target compounds from each series were found to have significant activity in the blockade of apomorphine stereotypy and apomorphine-induced climbing, the Sidman avoidance response... aid5055.table aid5055.tbin
5056 12 Title: The thieno[3,2-c]pyridine and furo[3,2-c]pyridine rings: new pharmacophores with potential antipsychotic activity. Abstract: Two new arylpiperazine derivatives, the 4-(1-piperazinyl)thieno- and -furo[3,2-c]pyridine ring systems, have been synthesized and appended via tetramethylene chains to various imide rings. Target compounds from each series were found to have significant activity in the blockade of apomorphine stereotypy and apomorphine-induced climbing, the Sidman avoidance response... aid5056.table aid5056.tbin
5057 1 Title: Synthesis and potential antipsychotic activity of 1H-imidazo[1,2-c]pyrazolo[3,4-e]pyrimidines. Abstract: The synthesis of a series of 1H-imidazo[1,2-c]pyrazolo[3,4-e]pyrimidines is reported along with the effects of these compounds in preclinical tests for antipsychotic activity. Certain of these compounds displayed antipsychotic-like effects in conditioned avoidance tests, but unlike currently used antipsychotic drugs, they did not have affinity for brain dopamine receptors. These compou... aid5057.table aid5057.tbin
5058 3 Title: Octoclothepin enantiomers. A reinvestigation of their biochemical and pharmacological activity in relation to a new receptor-interaction model for dopamine D-2 receptor antagonists. Abstract: Octoclothepin (1) was resolved into its R and S enantiomers via the diastereomeric tartaric acid salts. The enantiomers were shown to be of high optical purity by 1H NMR with use of the chiral shift reagent (R)-(-)-2,2,2-trifluoro-1-(9-anthryl)ethanol. Pharmacological and biochemical testing confirme... aid5058.table aid5058.tbin
5059 3 Title: 6-substituted 1,3,4,5-tetrahydrobenz[cd]indol-4-amines: potent serotonin agonists. Abstract: A series of 6-substituted tricyclic ergoline partial structures has been synthesized and found to possess very strong serotonin agonist activity. A methoxy group at the 6-position greatly enhances activity, but at the expense of compound stability. Substituting the 6-position with protophyllic groups that are also electron-withdrawing in character enhances both activity and stability. aid5059.table aid5059.tbin
5060 4 Title: 6-substituted 1,3,4,5-tetrahydrobenz[cd]indol-4-amines: potent serotonin agonists. Abstract: A series of 6-substituted tricyclic ergoline partial structures has been synthesized and found to possess very strong serotonin agonist activity. A methoxy group at the 6-position greatly enhances activity, but at the expense of compound stability. Substituting the 6-position with protophyllic groups that are also electron-withdrawing in character enhances both activity and stability. aid5060.table aid5060.tbin
5061 51 Title: 3-[[(Aryloxy)alkyl]piperidinyl]-1,2-benzisoxazoles as D2/5-HT2 antagonists with potential atypical antipsychotic activity: antipsychotic profile of iloperidone (HP 873). Abstract: A series of 3-[[(aryloxy)alkyl]piperidinyl]-1,2-benzisoxazoles was synthesized and evaluated as potential antipsychotic D2/5-HT2 antagonists. Most of these compounds showed potent antipsychotic-like activity in an apomorphine-induced climbing mouse paradigm, with many also showing preferential mesolimbic activit... aid5061.table aid5061.tbin
5062 17 Title: Syntheses and platelet aggregation inhibitory and antithrombotic properties of [2-[(omega-aminoalkoxy)phenyl]ethyl]benzenes. Abstract: A series of [2-[(omega-aminoalkoxy)phenyl]ethyl]benzene derivatives were synthesized and evaluated for their ability to inhibit collagen-induced platelet aggregation in vitro and to protect experimental thrombosis in mice. The results showed that the compounds were in vitro inhibitors of collagen-induced platelet aggregation. Most of them were also effecti... aid5062.table aid5062.tbin
5063 1 Title: (5-Amino-1,3-dimethyl-1H-pyrazol-4-yl)(2-fluorophenyl)methanones . A series of novel potential antipsychotic agents. Abstract: (5-Amino-1,3-dimethyl-1H-pyrazol-4-yl)(2-fluorophenyl)methanone (1) was found to have an antipsychotic-like profile in behavioral tests predictive of antipsychotic efficacy but, unlike available antipsychotic agents, did not bind in vitro to dopamine receptors. Upon further evaluation, 1 was found to cause clonic seizures in aged rodents. An examination of related... aid5063.table aid5063.tbin
5064 29 Title: New indole derivatives as potent and selective serotonin uptake inhibitors. Abstract: A series of new indole derivatives (2-28) has been prepared in the search for novel 5-HT uptake inhibitors. These compounds were obtained by the condensation of N-(chloroalkyl) naphthalenesultam derivatives with the appropriate amine in presence of a base, at reflux of DMF or THF. The yields were moderate (12-56%), except for the piperazine derivative 20 (85%). The affinity of the compounds for uptake si... aid5064.table aid5064.tbin
5065 26 Title: 1-aryl-4-[(1-tetralinyl)alkyl]piperazines: alkylamido and alkylamino derivatives. Synthesis, 5-HT1A receptor affinity, and selectivity. 3. Abstract: The synthesis and binding profile on 5-HT1A, 5-HT2, D-1, D-2, alpha 1, and alpha 2 receptors of the N-4 long-chain arylpiperazines 22-40 are reported, where an amino or amido function is inserted into the intermediate chain linked to the alpha position of the tetralin nucleus. Unlike the buspirone analogues, for the amido derivatives studied ... aid5065.table aid5065.tbin
5066 1 Title: Iodoaminopotentidine and related compounds: a new class of ligands with high affinity and selectivity for the histamine H2 receptor. Abstract: The synthesis and biological evaluation of a new class of histamine H2 antagonists with N-cyano-N'-[omega-[3-(1-piperidinylmethyl)phenoxy] alkyl]guanidine partial structure are described as part of an extensive research program to find model compounds for the development of new radioligands with high H2 affinity and specific activity. High receptor... aid5066.table aid5066.tbin
5067 1 Title: Syntheses and 5-HT2 antagonist activity of bicyclic 1,2,4-triazol-3(2H)-one and 1,3,5-triazine-2,4(3H)-dione derivatives. Abstract: A series of bicyclic 1,2,4-triazol-3(2H)-one and 1,3,5-triazine-2,4(3H)-dione derivatives with a 4-[bis(4-fluoro-phenyl)methylene]piperidine or 4-(4-fluorobenzoyl)piperidine group has been prepared and tested for 5-HT2 and alpha 1 receptor antagonist activity. Among the compounds prepared, 2-[2-[4-[bis(4-fluorophenyl)methylene]-piperidin-1-yl]ethyl]- 5,6,7,8-... aid5067.table aid5067.tbin
5068 28 Title: Syntheses and 5-HT2 antagonist activity of bicyclic 1,2,4-triazol-3(2H)-one and 1,3,5-triazine-2,4(3H)-dione derivatives. Abstract: A series of bicyclic 1,2,4-triazol-3(2H)-one and 1,3,5-triazine-2,4(3H)-dione derivatives with a 4-[bis(4-fluoro-phenyl)methylene]piperidine or 4-(4-fluorobenzoyl)piperidine group has been prepared and tested for 5-HT2 and alpha 1 receptor antagonist activity. Among the compounds prepared, 2-[2-[4-[bis(4-fluorophenyl)methylene]-piperidin-1-yl]ethyl]- 5,6,7,8-... aid5068.table aid5068.tbin
5069 1 Title: Syntheses and 5-HT2 antagonist activity of bicyclic 1,2,4-triazol-3(2H)-one and 1,3,5-triazine-2,4(3H)-dione derivatives. Abstract: A series of bicyclic 1,2,4-triazol-3(2H)-one and 1,3,5-triazine-2,4(3H)-dione derivatives with a 4-[bis(4-fluoro-phenyl)methylene]piperidine or 4-(4-fluorobenzoyl)piperidine group has been prepared and tested for 5-HT2 and alpha 1 receptor antagonist activity. Among the compounds prepared, 2-[2-[4-[bis(4-fluorophenyl)methylene]-piperidin-1-yl]ethyl]- 5,6,7,8-... aid5069.table aid5069.tbin
5070 1 Title: Syntheses and 5-HT2 antagonist activity of bicyclic 1,2,4-triazol-3(2H)-one and 1,3,5-triazine-2,4(3H)-dione derivatives. Abstract: A series of bicyclic 1,2,4-triazol-3(2H)-one and 1,3,5-triazine-2,4(3H)-dione derivatives with a 4-[bis(4-fluoro-phenyl)methylene]piperidine or 4-(4-fluorobenzoyl)piperidine group has been prepared and tested for 5-HT2 and alpha 1 receptor antagonist activity. Among the compounds prepared, 2-[2-[4-[bis(4-fluorophenyl)methylene]-piperidin-1-yl]ethyl]- 5,6,7,8-... aid5070.table aid5070.tbin
5071 1 Title: Syntheses and 5-HT2 antagonist activity of bicyclic 1,2,4-triazol-3(2H)-one and 1,3,5-triazine-2,4(3H)-dione derivatives. Abstract: A series of bicyclic 1,2,4-triazol-3(2H)-one and 1,3,5-triazine-2,4(3H)-dione derivatives with a 4-[bis(4-fluoro-phenyl)methylene]piperidine or 4-(4-fluorobenzoyl)piperidine group has been prepared and tested for 5-HT2 and alpha 1 receptor antagonist activity. Among the compounds prepared, 2-[2-[4-[bis(4-fluorophenyl)methylene]-piperidin-1-yl]ethyl]- 5,6,7,8-... aid5071.table aid5071.tbin
5072 61 Title: Synthesis and 5-hydroxytryptamine antagonist activity of 2-[[2-(dimethylamino)ethyl]thio]-3-phenylquinoline and its analogues. Abstract: A series of 2-[(2-aminoethyl)thio]quinolines substituted at the 3-position with alkyl, aryl, or heteroaryl groups has been prepared in the search for novel and selective 5-HT2 antagonists. The affinity of the compounds for 5-HT1 receptor sites was measured by their ability to displace [3H]-5-HT from rat brain synaptosomes whereas the affinity for 5-HT2 r... aid5072.table aid5072.tbin
5073 1 Title: Graphics computer-aided receptor mapping as a predictive tool for drug design: development of potent, selective, and stereospecific ligands for the 5-HT1A receptor. Abstract: A conformational study of four 5-HT1A (serotonin) receptor ligands ((R-(-)-methiothepin, spiperone, (S)-(-)-propranolol, and buspirone) led to the definition of a pharmacophore and a three-dimensional map of the 5-HT1A antagonist recognition site. These models were used to design new compounds and successfully predic... aid5073.table aid5073.tbin
5074 5 Title: Graphics computer-aided receptor mapping as a predictive tool for drug design: development of potent, selective, and stereospecific ligands for the 5-HT1A receptor. Abstract: A conformational study of four 5-HT1A (serotonin) receptor ligands ((R-(-)-methiothepin, spiperone, (S)-(-)-propranolol, and buspirone) led to the definition of a pharmacophore and a three-dimensional map of the 5-HT1A antagonist recognition site. These models were used to design new compounds and successfully predic... aid5074.table aid5074.tbin
5075 1 Title: Graphics computer-aided receptor mapping as a predictive tool for drug design: development of potent, selective, and stereospecific ligands for the 5-HT1A receptor. Abstract: A conformational study of four 5-HT1A (serotonin) receptor ligands ((R-(-)-methiothepin, spiperone, (S)-(-)-propranolol, and buspirone) led to the definition of a pharmacophore and a three-dimensional map of the 5-HT1A antagonist recognition site. These models were used to design new compounds and successfully predic... aid5075.table aid5075.tbin
5076 4 Title: Graphics computer-aided receptor mapping as a predictive tool for drug design: development of potent, selective, and stereospecific ligands for the 5-HT1A receptor. Abstract: A conformational study of four 5-HT1A (serotonin) receptor ligands ((R-(-)-methiothepin, spiperone, (S)-(-)-propranolol, and buspirone) led to the definition of a pharmacophore and a three-dimensional map of the 5-HT1A antagonist recognition site. These models were used to design new compounds and successfully predic... aid5076.table aid5076.tbin
5077 13 Title: Synthesis and serotonergic activity of 5-(oxadiazolyl)tryptamines: potent agonists for 5-HT1D receptors. Abstract: The synthesis and 5-HT1D receptor activity of a novel series of 5-(oxadiazolyl)tryptamines is described. Modifications of the oxadiazole 3-substituent, length of the linking chain (n), and the amine substituents are explored and reveal a large binding pocket in the 5-HT1D receptor domain. Oxadiazole substituents such as benzyl are accommodated without loss of agonist potency ... aid5077.table aid5077.tbin
5078 1 Title: N-(1-methyl-5-indolyl)-N'-(3-pyridyl)urea hydrochloride: the first selective 5-HT1C receptor antagonist. aid5078.table aid5078.tbin
5079 5 Title: N-(1-methyl-5-indolyl)-N'-(3-pyridyl)urea hydrochloride: the first selective 5-HT1C receptor antagonist. aid5079.table aid5079.tbin
5080 1 Title: Iodoaminopotentidine and related compounds: a new class of ligands with high affinity and selectivity for the histamine H2 receptor. Abstract: The synthesis and biological evaluation of a new class of histamine H2 antagonists with N-cyano-N'-[omega-[3-(1-piperidinylmethyl)phenoxy] alkyl]guanidine partial structure are described as part of an extensive research program to find model compounds for the development of new radioligands with high H2 affinity and specific activity. High receptor... aid5080.table aid5080.tbin
5081 2 Title: (+/-) 3-Amino-6-carboxamido-1,2,3,4-tetrahydrocarbazole: a conformationally restricted analogue of 5-carboxamidotryptamine with selectivity for the serotonin 5-HT1D receptor. aid5081.table aid5081.tbin
5082 5 Title: Synthesis and structure-activity relationships of potent and orally active 5-HT4 receptor antagonists: indazole and benzimidazolone derivatives. Abstract: A series of indole-3-carboxamides, indazole-3-carboxamides, and benzimidazolone-3-carboxamides was synthesized and evaluated for antagonist affinity at the 5-HT4 receptor in the rat esophagus. The endo-3-tropanamine derivatives in the indazole and benzimidazolone series possessed greater 5-HT4 receptor affinity than the corresponding in... aid5082.table aid5082.tbin
5083 3 Title: WB 4101-related compounds. 2. Role of the ethylene chain separating amine and phenoxy units on the affinity for alpha(1)-adrenoreceptor subtypes and 5-HT(1A) receptors. Abstract: WB 4101 (1)-related benzodioxanes were synthesized by replacing the ethylene chain separating the amine and the phenoxy units of 1 with a cyclopentanol moiety, a feature of 6, 7-dihydro-5-[[(cis-2-hydroxy-trans-3-phenoxycyclopentyl)amino]meth yl] -2-methylbenzo[b]thiophen-4(5H)-one that was reported to display an... aid5083.table aid5083.tbin
5084 2 Title: WB 4101-related compounds. 2. Role of the ethylene chain separating amine and phenoxy units on the affinity for alpha(1)-adrenoreceptor subtypes and 5-HT(1A) receptors. Abstract: WB 4101 (1)-related benzodioxanes were synthesized by replacing the ethylene chain separating the amine and the phenoxy units of 1 with a cyclopentanol moiety, a feature of 6, 7-dihydro-5-[[(cis-2-hydroxy-trans-3-phenoxycyclopentyl)amino]meth yl] -2-methylbenzo[b]thiophen-4(5H)-one that was reported to display an... aid5084.table aid5084.tbin
5085 12 Title: Synthesis and serotonin receptor affinities of a series of enantiomers of alpha-methyltryptamines: evidence for the binding conformation of tryptamines at serotonin 5-HT1B receptors. Abstract: A procedure for the preparation of optically pure alpha-methyltryptamines (AMTs) from substituted indoles was developed. The key step in the sequence was the reductive amination of substituted indole-2-propanones with the commercially available pure enantiomers of alpha-methylbenzylamine, followed b... aid5085.table aid5085.tbin
5086 51 Title: Three-dimensional quantitative structure-activity relationships of 5-HT receptor binding data for tetrahydropyridinylindole derivatives: a comparison of the Hansch and CoMFA methods. Abstract: A series of new derivatives of 3-(1,2,5,6-tetrahydropyridin-4-yl)indole (4-THPI) has been synthesized, and their dissociation constants at the 5-HT1A and 5-HT2 serotonin (5-HT) receptor subtypes have been determined. The new data were combined with similar binding data on a related set of THPI analo... aid5086.table aid5086.tbin
5087 5 Title: New tetrahydrobenzindoles as potent and selective 5-HT(7) antagonists with increased In vitro metabolic stability. Abstract: Chemical modifications of compound 1 (DR4004), a potent, selective antagonist of the 5-HT(7) receptor, were conducted with the aim of improving its metabolic stability. Halogenation of putative sites of oxidative metabolism afforded compounds 7-10, which retained high affinity and selectivity for the 5-HT(7) receptor, and showed increased in vitro metabolic stabilit... aid5087.table aid5087.tbin
5088 8 Title: Tetrahydrobenzindoles: selective antagonists of the 5-HT7 receptor. aid5088.table aid5088.tbin
5089 40 Title: 2a-[4-(Tetrahydropyridoindol-2-yl)butyl]tetrahydrobenzindole derivatives: new selective antagonists of the 5-hydroxytryptamine7 receptor. Abstract: A series of tetrahydrobenzindoles was prepared, and the affinity of these compounds for the 5-hydroxytryptamine7 (5-HT7) receptor and other receptors was evaluated. Most of the compounds showed high affinity for the 5-HT7 receptor, and 2a-[4-(tetrahydropyridoindol-2-yl)butyl]tetrahydrobenzindole derivatives (26a-j) exhibited high selectivity f... aid5089.table aid5089.tbin
5090 5 Title: New antipsychotic agents with serotonin and dopamine antagonist properties based on a pyrrolo[2,1-b][1,3]benzothiazepine structure. Abstract: The development of a synthetic approach to the novel pyrrolo[2, 1-b][1,3]benzothiazepine and its derivatives and their biological evaluation as potential antipsychotic drugs are described. In binding studies these compounds proved to be potent 5-HT2, D2, and D3 receptor ligands. The more potent benzothiazepine (+/-)-3b was resolved into its enantiom... aid5090.table aid5090.tbin
5091 1 Title: 2-Substituted 1-azabicycloalkanes, a new class of non-opiate antinociceptive agents. Abstract: 2-Substituted 1-azabicycloalkanes (3- and 5-aryloctahydroindolizines 2 and 11, 3-cyclohexyloctahydroindolizine 12, 4-aryloctahydroquinolizines 13, and 3-arylhexahydropyrrolizines 14) constitute a new class of non-opiate antinociceptive agents. These compounds demonstrated activity in the mouse abdominal constriction test and many were active in the mouse tail-flick test. trans-3-(2-Bromophenyl)o... aid5091.table aid5091.tbin
5092 1 Title: Iodoaminopotentidine and related compounds: a new class of ligands with high affinity and selectivity for the histamine H2 receptor. Abstract: The synthesis and biological evaluation of a new class of histamine H2 antagonists with N-cyano-N'-[omega-[3-(1-piperidinylmethyl)phenoxy] alkyl]guanidine partial structure are described as part of an extensive research program to find model compounds for the development of new radioligands with high H2 affinity and specific activity. High receptor... aid5092.table aid5092.tbin
5093 4 Title: [125I]-1-(2,5-dimethoxy-4-iodophenyl)-2-amino-propane: an iodinated radioligand that specifically labels the agonist high-affinity state of 5-HT2 serotonin receptors. aid5093.table aid5093.tbin
5094 2 Title: [125I]-1-(2,5-dimethoxy-4-iodophenyl)-2-amino-propane: an iodinated radioligand that specifically labels the agonist high-affinity state of 5-HT2 serotonin receptors. aid5094.table aid5094.tbin
5095 4 Title: [125I]-1-(2,5-dimethoxy-4-iodophenyl)-2-amino-propane: an iodinated radioligand that specifically labels the agonist high-affinity state of 5-HT2 serotonin receptors. aid5095.table aid5095.tbin
5096 2 Title: [125I]-1-(2,5-dimethoxy-4-iodophenyl)-2-amino-propane: an iodinated radioligand that specifically labels the agonist high-affinity state of 5-HT2 serotonin receptors. aid5096.table aid5096.tbin
5097 3 Title: [125I]-1-(2,5-dimethoxy-4-iodophenyl)-2-amino-propane: an iodinated radioligand that specifically labels the agonist high-affinity state of 5-HT2 serotonin receptors. aid5097.table aid5097.tbin
5098 3 Title: [125I]-1-(2,5-dimethoxy-4-iodophenyl)-2-amino-propane: an iodinated radioligand that specifically labels the agonist high-affinity state of 5-HT2 serotonin receptors. aid5098.table aid5098.tbin
5099 6 Title: [125I]-1-(2,5-dimethoxy-4-iodophenyl)-2-amino-propane: an iodinated radioligand that specifically labels the agonist high-affinity state of 5-HT2 serotonin receptors. aid5099.table aid5099.tbin
5100 2 Title: Two novel and potent 3-[(o-methoxyphenyl)piperazinylethyl]-5-phenylthien. Abstract: The synthesis and in vitro characterization of A-119637 and A-123189, two novel, selective and potent alpha1D antagonists, are described. aid5100.table aid5100.tbin
5101 9 Title: Tetrahydrothienopyridylbutyl-tetrahydrobenzindoles: new selective ligands of the 5-HT(7) receptor. Abstract: The synthesis and the affinity for the 5-HT(7) receptor and other receptors of a novel series of fused-ring tetrahydropyridine derivatives are described. Some of the compounds showed high affinity for the 5-HT(7) receptor. Tetrahydrothienopyridylbutyl-tetrahydrobenzindoles and are potent ligands for the 5-HT(7) receptor, with high selectivity over the 5-HT(2) receptor and other rec... aid5101.table aid5101.tbin
5102 8 Title: Synthesis and biological activity of the putative metabolites of the atypical antipsychotic agent tiospirone. Abstract: Putative oxidative metabolites of the lead antipsychotic agent tiospirone (1) were synthesized to assist in the identification of the authentic metabolic products found in human urine samples. Thus far, six authentic metabolites have been correlated to the synthetic species. The putative metabolites were further examined in vitro to assess their central nervous system th... aid5102.table aid5102.tbin
5103 15 Title: Synthesis and biological activity of the putative metabolites of the atypical antipsychotic agent tiospirone. Abstract: Putative oxidative metabolites of the lead antipsychotic agent tiospirone (1) were synthesized to assist in the identification of the authentic metabolic products found in human urine samples. Thus far, six authentic metabolites have been correlated to the synthetic species. The putative metabolites were further examined in vitro to assess their central nervous system th... aid5103.table aid5103.tbin
5104 1 Title: New 1-aryl-3-(4-arylpiperazin-1-yl)propane derivatives, with dual action at 5-HT1A serotonin receptors and serotonin transporter, as a new class of antidepressants. Abstract: In a search toward new and efficient antidepressants, 1-aryl-3-(4-arylpiperazin-1-yl)propane derivatives were designed, synthesized, and evaluated for 5-HT reuptake inhibition and 5-HT1A receptor antagonism. This dual pharmacological profile should lead, in principle, to a rapid and pronounced enhancement in serotoni... aid5104.table aid5104.tbin
5105 2 Title: New 1-aryl-3-(4-arylpiperazin-1-yl)propane derivatives, with dual action at 5-HT1A serotonin receptors and serotonin transporter, as a new class of antidepressants. Abstract: In a search toward new and efficient antidepressants, 1-aryl-3-(4-arylpiperazin-1-yl)propane derivatives were designed, synthesized, and evaluated for 5-HT reuptake inhibition and 5-HT1A receptor antagonism. This dual pharmacological profile should lead, in principle, to a rapid and pronounced enhancement in serotoni... aid5105.table aid5105.tbin
5106 8 Title: N-Arylsulfonylindole derivatives as serotonin 5-HT(6) receptor ligands. Abstract: A series of N(1)-arylsulfonyltryptamines were found to be potent ligands of the human serotonin 5-HT(6) receptor with the 5-methoxy-1-benzenesulfonyl analogue (19) having the highest affinity. Additionally, it was discovered that a group such as 3-(3-methoxybenzyl)-1,2,4-oxadiazol-5-yl in the 2-position of the indole ring (43) can replace the arylsulfonyl substituent in the 1-position with no loss of affinit... aid5106.table aid5106.tbin
5107 9 Title: Structure-activity relationship studies of central nervous system agents. 13. 4-[3-(Benzotriazol-1-yl)propyl]-1-(2-methoxyphenyl)piperazine, a new putative 5-HT1A receptor antagonist, and its analogs. Abstract: A new set of 4-alkyl-1-(o-methoxyphenyl)piperazines containing a terminal benzotriazole fragment were synthesized, and their 5-HT1A and 5-HT2 affinity was determined. It was shown that the benzotriazole moiety contributes to both the 5-HT1A and 5-HT2 receptor affinity. It was demon... aid5107.table aid5107.tbin
5108 7 Title: N,N-di-n-propylserotonin: binding at serotonin binding sites and a comparison with 8-hydroxy-2-(di-n-propylamino)tetralin. Abstract: 8-Hydroxy-2-(di-n-propylamino)tetralin (8-OH-DPAT) is a serotonergic agonist with high affinity and selectivity for a particular population of central serotonin (5-HT) binding sites (i.e., 5-HT1A sites). Because the selectivity of 8-OH-DPAT may be due to the terminal amine substituents, the di-n-propyl analogue of 5-HT (i.e., 4) and of 5-methoxytryptamine (i... aid5108.table aid5108.tbin
5109 7 Title: N,N-di-n-propylserotonin: binding at serotonin binding sites and a comparison with 8-hydroxy-2-(di-n-propylamino)tetralin. Abstract: 8-Hydroxy-2-(di-n-propylamino)tetralin (8-OH-DPAT) is a serotonergic agonist with high affinity and selectivity for a particular population of central serotonin (5-HT) binding sites (i.e., 5-HT1A sites). Because the selectivity of 8-OH-DPAT may be due to the terminal amine substituents, the di-n-propyl analogue of 5-HT (i.e., 4) and of 5-methoxytryptamine (i... aid5109.table aid5109.tbin
5110 1 Title: Binding of phenylalkylamine derivatives at 5-HT1C and 5-HT2 serotonin receptors: evidence for a lack of selectivity. Abstract: Certain phenylalkylamine derivatives have been considered to bind selectively at 5-HT2 serotonin receptors. It is now recognized that the most widely used derivatives, i.e., 1-(2,5-dimethoxy-4-X-phenyl)-2-aminopropanes where X = Me (DOM), Br (DOB), and I (DOI) (1-3, respectively) also bind at the more recently identified population of serotonin 5-HT1C receptors. T... aid5110.table aid5110.tbin
5111 3 Inhibitory concentration against 5-hydroxytryptamine 2 receptor aid5111.table aid5111.tbin
5112 1 Title: Novel indolodioxanes with antihypertensive effects: potent ligands for the 5-HT1A receptor. Abstract: The synthesis and biological evaluation of a new family of tricyclic indolodioxanes is described. These compounds all contain the 2,3-dihydro-7H-1,4-dioxino[2,3-e]indole nucleus and bear substituents at the 2 and/or 8 positions. Thirteen members of this class were prepared and shown to be potent ligands for the 5-HT1A receptor, with several compounds displaying subnanomolar inhibition con... aid5112.table aid5112.tbin
5113 11 Title: Novel indolodioxanes with antihypertensive effects: potent ligands for the 5-HT1A receptor. Abstract: The synthesis and biological evaluation of a new family of tricyclic indolodioxanes is described. These compounds all contain the 2,3-dihydro-7H-1,4-dioxino[2,3-e]indole nucleus and bear substituents at the 2 and/or 8 positions. Thirteen members of this class were prepared and shown to be potent ligands for the 5-HT1A receptor, with several compounds displaying subnanomolar inhibition con... aid5113.table aid5113.tbin
5114 1 Title: First tricyclic oximino derivatives as 5-HT3 ligands. Abstract: The design and synthesis of a new type of 5-HT3 ligand with subnanomolar affinity are described. The O-dialkylaminoethyloximinothienopyrrolizine structure was deduced from molecular modeling studies by replacement of an amidine moiety by an oximino one. aid5114.table aid5114.tbin
5115 1 Compound was tested for inhibitory activity against 5-hydroxytryptamine 2 receptor aid5115.table aid5115.tbin
5116 2 Compound was tested for its affinity towards 5-hydroxytryptamine 2 receptor aid5116.table aid5116.tbin
5117 2 Tested for binding affinity for 5-hydroxytryptamine 2 receptor aid5117.table aid5117.tbin
5118 5 The compound was evaluated for its ability to displace [3H]ketanserin from 5-hydroxytryptamine 2 receptor in cellular brain membranes aid5118.table aid5118.tbin
5119 4 Compound was measured for its binding affinity at 5-hydroxytryptamine 2 receptor at a concentration of 10 uM using [3H]ketanserin as radioligand aid5119.table aid5119.tbin
5120 3 Title: Higher-end serotonin receptors: 5-HT(5), 5-HT(6), and 5-HT(7). aid5120.table aid5120.tbin
5121 13 Displacement of [3H]ketanserin from 5-hydroxytryptamine 2 receptor aid5121.table aid5121.tbin
5122 1 Title: Bridgehead-methyl analog of SC-53116 as a 5-HT4 agonist. Abstract: Pyrrolizidine benzamide (+/-)-2, the bridgehead-methyl analog of SC-53116, was prepared and evaluated for 5-HT(4) agonism activity in the rat tunica muscularis (TMM) mucosae assay. Compound (+/-)-2 has an EC(50) of 449 nM in the TMM assay, as compared to 23 nM for SC-53116, and 66 nM for the racemate of SC-53116. aid5122.table aid5122.tbin
5123 20 Title: New pyridobenzodiazepine derivatives as potential antipsychotics: synthesis and neurochemical study. Abstract: The discovery of a new, safe, atypical antipsychotic remains an important challenge. To achieve this goal, a series of N-methylpiperazinopyrido[2,3-b] [1,4]- and -[1,5]- and -pyrido[4,3-b][1,4]- and -[1,5]- benzodiazepines were synthesized. The dopaminergic (D1, D2), serotonergic (5-HT2), and cholinergic (M) affinities, frequently remarked in the action mechanisms of antipsychoti... aid5123.table aid5123.tbin
5124 1 Title: Pharmacological evaluation of a diarylmethylene-piperidine derivative: a new potent atypical antipsychotic? Abstract: A new diaryl-methylene piperidine derivative, 2, displayed an atypical antipsychotic profile both in vitro and in vivo. The main pharmacological characteristics of this compound appears to reside in a more potent antagonism of the 5-HT2 serotonergic receptor than of the D2 dopaminergic receptor. This confirms that molecules displaying a D2/5-HT2 binding ratio &lt; 1 posses... aid5124.table aid5124.tbin
5125 2 Title: Conformational properties of semirigid antipsychotic drugs: the pharmacophore for dopamine D-2 antagonist activity. Abstract: Conformational energy calculations using the MM2-87 program have been performed on the tetracyclic spiro amines 1 (A23887) and 2 (A31472) which have previously been shown to have considerable affinity for dopamine D-2 receptors. These compounds are important for defining the pharmacophore for D-2 antagonist activity due to their limited conformational freedom. Poss... aid5125.table aid5125.tbin
5126 2 Title: (+/-) 3-Amino-6-carboxamido-1,2,3,4-tetrahydrocarbazole: a conformationally restricted analogue of 5-carboxamidotryptamine with selectivity for the serotonin 5-HT1D receptor. aid5126.table aid5126.tbin
5127 3 Title: Pharmacological evaluation of a diarylmethylene-piperidine derivative: a new potent atypical antipsychotic? Abstract: A new diaryl-methylene piperidine derivative, 2, displayed an atypical antipsychotic profile both in vitro and in vivo. The main pharmacological characteristics of this compound appears to reside in a more potent antagonism of the 5-HT2 serotonergic receptor than of the D2 dopaminergic receptor. This confirms that molecules displaying a D2/5-HT2 binding ratio &lt; 1 posses... aid5127.table aid5127.tbin
5128 22 Title: Halogenated 4-(phenoxymethyl)piperidines as potential radiolabeled probes for sigma-1 receptors: in vivo evaluation of [123I]-1-(iodopropen-2-yl)-4-[(4-cyanophenoxy)methyl]pip eri dine. Abstract: Several halogenated 4-(4-phenoxymethyl)piperidines were synthesized as potential sigma receptor ligands. The affinity and selectivity of these compounds were determined using in vitro receptor binding assays, and their log P values were estimated using HPLC analysis. The effect of various N-subst... aid5128.table aid5128.tbin
5129 11 5-hydroxytryptamine 2 receptor binding affinity aid5129.table aid5129.tbin
5130 1 Title: 3-[[(Aryloxy)alkyl]piperidinyl]-1,2-benzisoxazoles as D2/5-HT2 antagonists with potential atypical antipsychotic activity: antipsychotic profile of iloperidone (HP 873). Abstract: A series of 3-[[(aryloxy)alkyl]piperidinyl]-1,2-benzisoxazoles was synthesized and evaluated as potential antipsychotic D2/5-HT2 antagonists. Most of these compounds showed potent antipsychotic-like activity in an apomorphine-induced climbing mouse paradigm, with many also showing preferential mesolimbic activit... aid5130.table aid5130.tbin
5131 1 Title: Separation of alpha 1 adrenergic and N-methyl-D-aspartate antagonist activity in a series of ifenprodil compounds. Abstract: Ifenprodil (1) represents a new class of N-methyl-D-aspartate (NMDA) antagonist. This drug also possesses potent activity at several other brain receptors (most notably alpha 1 adrenergic receptors). We have prepared the enantiomers and diastereomers of ifenprodil along with a series of partial structures in order to explore the basic structure activity relations wi... aid5131.table aid5131.tbin
5132 2 Title: Phosphinic acid analogues of GABA. 1. New potent and selective GABAB agonists. Abstract: The antispastic agent and muscle relaxant baclofen 1 is a potent and selective agonist for bicuculline-insensitive GABAB receptors. For many years efforts to obtain superior GABAB agonists were unsuccessful. We describe the syntheses and biological properties of two new series of GABAB agonists, the best compounds of which are more potent than baclofen in vitro and in vivo. They were obtained by repla... aid5132.table aid5132.tbin
5133 1 Title: Phosphinic acid analogues of GABA. 2. Selective, orally active GABAB antagonists. Abstract: In 1987, 25 years after the synthesis of the potent and selective GABAB agonist baclofen (1), Kerr et al. described the first GABAB antagonist phaclofen 2. However, phaclofen and structurally similar derivatives 3-5 did not cross the blood-brain barrier and hence were inactive in vivo as central nervous system agents. As a consequence, the therapeutic potential of GABAB antagonists remained unclear... aid5133.table aid5133.tbin
5134 1 Title: Phosphinic acid analogues of GABA. 1. New potent and selective GABAB agonists. Abstract: The antispastic agent and muscle relaxant baclofen 1 is a potent and selective agonist for bicuculline-insensitive GABAB receptors. For many years efforts to obtain superior GABAB agonists were unsuccessful. We describe the syntheses and biological properties of two new series of GABAB agonists, the best compounds of which are more potent than baclofen in vitro and in vivo. They were obtained by repla... aid5134.table aid5134.tbin
5135 1 Title: Benzoxazole derivatives as novel 5-HT3 receptor partial agonists in the gut. Abstract: A series of benzoxazoles with a nitrogen-containing heterocyclic substituent at the 2-position was prepared and evaluated for 5-HT3 partial agonist activity on isolated guinea pig ileum. The nature of the substituent at the 5-position of the benzoxazole ring affected the potency for the 5-HT3 receptor, and the 5-chloro derivatives showed increased potency and lowered intrinsic activity. 5-Chloro-7-methy... aid5135.table aid5135.tbin
5136 1 Title: Substituted hexahydrobenzo[f]thieno[c]quinolines as dopamine D1-selective agonists: synthesis and biological evaluation in vitro and in vivo. Abstract: A series of substituted 9,10-dihydroxyhexahydrobenzo[f]thieno[c]quinolines (TB[f]Q), varying with respect to the position of the thiophene relative to the benzo[f]quinoline core and the nature and position of the substituent on the thiophene, were prepared and evaluated for their affinity and selectivity for the dopamine D1-like receptor. ... aid5136.table aid5136.tbin
5137 2 Title: New benzocycloalkylpiperazines, potent and selective 5-HT1A receptor ligands. Abstract: A series of 1-(benzocycloalkyl)-4-(benzamidolkyl)piperazine derivatives was prepared in order to obtain compounds with a high affinity and selectivity for 5-HT1A receptors. The modifications of aromatic substituents, the length of the alkyl chain, and the size of the ring were explored. Most of N-(1,2,3,4-tetrahydronaphthyl)-N'-(benzamidoethyl)piperazines (32-37) were bound to 5-HT1A receptors in a nan... aid5137.table aid5137.tbin
5138 1 Title: Synthesis and pharmacological characterization of 3-[2-((3aR,9bR)-cis-6-methoxy-2,3,3a,4,5,9b-hexahydro-1H-benz[e] isoindol-2-yl)ethyl]pyrido-[3',4':4,5]thieno[3,2-d]pyrimidine-2,4 (1H,3H)-dione (A-131701): a uroselective alpha 1A adrenoceptor antagonist for the symptomatic treatment of benign prostatic hyperplasia. aid5138.table aid5138.tbin
5139 1 Title: (5aR,11bS)-4,5,5a,6,7,11b-hexahydro-2-propyl-3-thia-5-azacyclopent-1- ena[c]-phenanthrene-9,10-diol (A-86929): a potent and selective dopamine D1 agonist that maintains behavioral efficacy following repeated administration and characterization of its diacetyl prodrug (ABT-431). aid5139.table aid5139.tbin
5140 1 Title: Thiazole as a carbonyl bioisostere. A novel class of highly potent and selective 5-HT3 receptor antagonists. Abstract: A novel structural class of highly potent and selective 5-HT3 receptor antagonists is described. The compounds in this new series contain a thiazole moiety linking an aromatic group and a nitrogen-containing basic region; the thiazole group appears to be acting as a carbonyl bioisostere in this system. An optimized member of this series, 4-(2-methoxyphenyl)-2-[[4(5)-methy... aid5140.table aid5140.tbin
5141 1 Title: The serotonin 5-HT4 receptor. 1. Design of a new class of agonists and receptor map of the agonist recognition site. Abstract: The design and synthesis of a new class of potent and selective 5-HT4 receptor agonists containing an indole nucleus linked to a carbazimidamide are presented. A conformational study of the 5-HT4 receptor agonists serotonin and zacopride led to the identification of an initial pharmacophore and to the definition of a three-dimensional map of the 5-HT4 agonist reco... aid5141.table aid5141.tbin
5142 1 Title: Design, synthesis, and evaluation of chromen-2-ones as potent and selective human dopamine D4 antagonists. Abstract: The discovery of a series of chromen-2-ones with selective affinity for the dopamine (DA) D4 receptor is described. Target compounds were tested for binding to cloned human DA D2L, D3, and D4.2 receptor subtypes expressed in Chinese hamster ovary K1 cells. Several compounds demonstrated high affinity (&lt;20 nM, K(i)) and greater than 100-fold selectivity for DA D4.2 versus... aid5142.table aid5142.tbin
5143 2 Title: Isoindolinone enantiomers having affinity for the dopamine D4 receptor. Abstract: PD 108635 (1) was identified as a potent dopamine D4 ligand and we wanted to replace the benzylic alcohol with a metabolically more stable moiety. Investigations led to the discovery of a series of isoindolinones having D4 affinity. aid5143.table aid5143.tbin
5144 1 Title: 3-((4-(4-Chlorophenyl)piperazin-1-yl)-methyl)-1H-pyrrolo-2,3-b-pyridine: an antagonist with high affinity and selectivity for the human dopamine D4 receptor. aid5144.table aid5144.tbin
5145 1 Tested in vitro for the inhibition of [3H]ketanserin binding to 5-hydroxytryptamine 2 receptor, expressed in cloned CHO cells aid5145.table aid5145.tbin
5146 3 Tested in vitro for the inhibition of [3H]ketanserin binding to 5-hydroxytryptamine 2 receptor, expressed in cloned CHO cells. aid5146.table aid5146.tbin
5147 3 Tested in vitro for the inhibition of [3H]-ketanserin binding to 5-hydroxytryptamine 2 receptor, expressed in cloned CHO cells; Inactive aid5147.table aid5147.tbin
5148 3 Tested in vitro for the inhibition of [3H]ketanserin binding to 5-hydroxytryptamine 2 receptor, expressed in cloned CHO cells; not tested aid5148.table aid5148.tbin
5149 9 Title: Novel phenylpiperazine derivatives as dual cytokine regulators with TNF-alpha suppressing and IL-10 augmenting activity. Abstract: Phenylpiperazine derivatives were synthesized as dual cytokine regulators with TNF-alpha suppressing and IL-10 augmenting activity. Lead optimization led to compound 5k having the potent regulatory activity and demonstrating remarkable protective effects against the lethal challenge of LPS in mice. suggesting that 5k would be a promising drug candidate for the... aid5149.table aid5149.tbin
5150 3 Title: 7-Methyl-6,7,8,9,14,15-hexahydro-5H-benz[d]indolo[2,3-g]azecine: a new heterocyclic system and a new lead compound for dopamine receptor antagonists. Abstract: Partially hydrogenated derivatives of the new heterocyclic ring systems benz[d]indolo[2,3-g]azecine and bisindolo[3,2-d][2, 3-g]azecine were synthesized starting from lactones and amines via the described synthetic methods. In binding assays with rat striatal receptors, 7-methyl-6,7,8,9,14,15-hexahydro-5H-benz[d]indolo[2, 3-g]azeci... aid5150.table aid5150.tbin
5151 1 Binding affinity towards 5-hydroxytryptamine 2 receptor aid5151.table aid5151.tbin
5152 6 Title: Synthesis and dopaminergic activity of 3-substituted 1-(aminomethyl)-3,4-dihydro-5,6-dihydroxy-1H-2-benzopyrans: characterization of an auxiliary binding region in the D1 receptor. Abstract: The synthesis and dopaminergic activity of a series of C3 and nitrogen-substituted 1-(aminomethyl)-3,4-dihydro-5,6-dihydroxy-1H-2-benzopyrans (isochromans) is described. The synthesis of the compounds was stereospecific for the 1,3 cis isomer, and the enantioselective synthesis of both enantiomers of ... aid5152.table aid5152.tbin
5153 35 Title: Novel and selective partial agonists of 5-HT3 receptors. 2. Synthesis and biological evaluation of piperazinopyridopyrrolopyrazines, piperazinopyrroloquinoxalines, and piperazinopyridopyrroloquinoxalines. Abstract: In continuation of our previous work on piperazinopyrrolothienopyrazine derivatives, three series of piperazinopyridopyrrolopyrazines, piperazinopyrroloquinoxalines, and piperazinopyridopyrroloquinoxalines were prepared and evaluated as 5-HT3 receptor ligands. The chemical modi... aid5153.table aid5153.tbin
5154 47 Title: Novel selective and partial agonists of 5-HT3 receptors. Part 1. Synthesis and biological evaluation of piperazinopyrrolothienopyrazines. Abstract: A series of piperazinopyrrolo[1,2-a]thieno[3,2-e]- and -[2,3-e]pyrazine derivatives were prepared and evaluated in order to determine the necessary requirements for high affinity on the 5-HT3 receptors and high selectivity versus other 5-HT receptor subtypes. Various substitutions on the piperazine and the thiophene ring of the pyrrolothienopy... aid5154.table aid5154.tbin
5155 21 Title: Novel benzothiazolin-2-one and benzoxazin-3-one arylpiperazine derivatives with mixed 5HT1A/D2 affinity as potential atypical antipsychotics. Abstract: Since it was known that 5HT properties (5HT1A agonism or 5HT2A antagonism) combined with D2 antagonism may lead to atypical antipsychotic drugs, a series of 19 benzothiazolin-2-one and benzoxazin-3-one derivatives possessing the arylpiperazine moiety was prepared, and their binding profiles were investigated. All tested compounds displayed... aid5155.table aid5155.tbin
5156 1 Title: N-[(1-butyl-4-piperidinyl)methyl]-3,4dihydro-2H-[1,3]oxazino[3,2- a]indole10-carboxamide hydrochloride: the first potent and selective 5-HT4 receptor antagonist amide with oral activity. aid5156.table aid5156.tbin
5157 3 Title: A novel and selective 5-HT2 receptor agonist with ocular hypotensive activity: (S)-(+)-1-(2-aminopropyl)-8,9-dihydropyrano[3,2-e]indole. Abstract: Serotonin 5-HT2 receptor agonists have recently been shown to be effective in lowering intraocular pressure in nonhuman primates and represent a potential new class of antiglaucoma agents. As part of an effort to identify new selective agonists at this receptor, we have found that (S)-(+)-1-(2-aminopropyl)-8,9-dihydropyrano[3,2-e]indole (AL-373... aid5157.table aid5157.tbin
5158 2 Title: A novel and selective 5-HT2 receptor agonist with ocular hypotensive activity: (S)-(+)-1-(2-aminopropyl)-8,9-dihydropyrano[3,2-e]indole. Abstract: Serotonin 5-HT2 receptor agonists have recently been shown to be effective in lowering intraocular pressure in nonhuman primates and represent a potential new class of antiglaucoma agents. As part of an effort to identify new selective agonists at this receptor, we have found that (S)-(+)-1-(2-aminopropyl)-8,9-dihydropyrano[3,2-e]indole (AL-373... aid5158.table aid5158.tbin
5159 1 Title: A novel and selective 5-HT2 receptor agonist with ocular hypotensive activity: (S)-(+)-1-(2-aminopropyl)-8,9-dihydropyrano[3,2-e]indole. Abstract: Serotonin 5-HT2 receptor agonists have recently been shown to be effective in lowering intraocular pressure in nonhuman primates and represent a potential new class of antiglaucoma agents. As part of an effort to identify new selective agonists at this receptor, we have found that (S)-(+)-1-(2-aminopropyl)-8,9-dihydropyrano[3,2-e]indole (AL-373... aid5159.table aid5159.tbin
5160 2 Title: Potent, selective tetrahydro-beta-carboline antagonists of the serotonin 2B (5HT2B) contractile receptor in the rat stomach fundus. Abstract: A series of potent, selective 5HT2B receptor antagonists has been identified based upon yohimbine, with SAR studies resulting in a 1000-fold increase in 5HT2B receptor affinity relative to the starting structure (-log KBS &gt; 10.0 have been obtained). These high-affinity tetrahydro-beta-carboline antagonists are able to discriminate among the 5HT2 ... aid5160.table aid5160.tbin
5161 1 Title: Cycloalkyl[b][1,4]benzodiazepinoindoles are agonists at the human 5-HT2C receptor. Abstract: Evaluation of selected compounds from our Corporate Compound Library in a human 5-HT(2C) receptor binding assay led to the discovery of WAY-629, a cyclohexyl[b][1,4]benzodiazepinoindole (K(i) 56 nM, E(max) 90%), which is selective for the 5-HT(2C) receptor versus other serotonin receptor subtypes, and dopamine, histamine, adrenergic, and muscarinic receptors. In addition, WAY-629 was active in viv... aid5161.table aid5161.tbin
5162 14 Title: Indoline derivatives as 5-HT(2C) receptor agonists. Abstract: A series of 1-(1-indolinyl)-2-propylamines was synthesised and evaluated as 5-HT(2C) receptor agonists for the treatment of obesity. The general methods of synthesis of the precursor indoles are described. The functional efficacy and radioligand binding data for all of the compounds at 5-HT(2) receptor subtypes are reported. A number of compounds were found to reduce food intake in rats after oral administration. aid5162.table aid5162.tbin
5163 4 Title: Pyrrolo[3,2,1-ij]quinoline derivatives, a 5-HT2c receptor agonist with selectivity over the 5-HT2a receptor: potential therapeutic applications for epilepsy and obesity. Abstract: A series of pyrrolo[3,2,1-ij]quinoline derivatives was synthesized, evaluated for their activity against the 5-HT2c and 5-HT2a, receptors and found to be agonists at 5-HT2c with selectivity over 5-HT2a. aid5163.table aid5163.tbin
5164 2 Title: Pyrrolo[3,2,1-ij]quinoline derivatives, a 5-HT2c receptor agonist with selectivity over the 5-HT2a receptor: potential therapeutic applications for epilepsy and obesity. Abstract: A series of pyrrolo[3,2,1-ij]quinoline derivatives was synthesized, evaluated for their activity against the 5-HT2c and 5-HT2a, receptors and found to be agonists at 5-HT2c with selectivity over 5-HT2a. aid5164.table aid5164.tbin
5165 1 Title: Pyrrolo[3,2,1-ij]quinoline derivatives, a 5-HT2c receptor agonist with selectivity over the 5-HT2a receptor: potential therapeutic applications for epilepsy and obesity. Abstract: A series of pyrrolo[3,2,1-ij]quinoline derivatives was synthesized, evaluated for their activity against the 5-HT2c and 5-HT2a, receptors and found to be agonists at 5-HT2c with selectivity over 5-HT2a. aid5165.table aid5165.tbin
5166 1 Title: Cycloalkyl[b][1,4]benzodiazepinoindoles are agonists at the human 5-HT2C receptor. Abstract: Evaluation of selected compounds from our Corporate Compound Library in a human 5-HT(2C) receptor binding assay led to the discovery of WAY-629, a cyclohexyl[b][1,4]benzodiazepinoindole (K(i) 56 nM, E(max) 90%), which is selective for the 5-HT(2C) receptor versus other serotonin receptor subtypes, and dopamine, histamine, adrenergic, and muscarinic receptors. In addition, WAY-629 was active in viv... aid5166.table aid5166.tbin
5167 1 Title: Cycloalkyl[b][1,4]benzodiazepinoindoles are agonists at the human 5-HT2C receptor. Abstract: Evaluation of selected compounds from our Corporate Compound Library in a human 5-HT(2C) receptor binding assay led to the discovery of WAY-629, a cyclohexyl[b][1,4]benzodiazepinoindole (K(i) 56 nM, E(max) 90%), which is selective for the 5-HT(2C) receptor versus other serotonin receptor subtypes, and dopamine, histamine, adrenergic, and muscarinic receptors. In addition, WAY-629 was active in viv... aid5167.table aid5167.tbin
5168 3 Title: Synthesis and serotonergic activity of 3-[2-(pyrrolidin-1-yl)ethyl]indoles: potent agonists for the h5-HT1D receptor with high selectivity over the h5-HT1B receptor. Abstract: The design, synthesis, and biological evaluation of a novel series of 3-[2-(pyrrolidin-1-yl)ethyl]indoles with excellent selectivity for h5-HT1D (formerly 5-HT1Dalpha) receptors over h5-HT1B (formerly 5-HT1Dbeta) receptors are described. Clinically effective antimigraine drugs such as Sumatriptan show little selecti... aid5168.table aid5168.tbin
5169 8 Title: From hit to lead. Analyzing structure-profile relationships. Abstract: Two compounds, obtained by random screening, and displaying micromolar activities on the mu opiate receptor were used as starting points for optimization. In that work, the traditional concept of the activity of a compound (related to one or a few targets) was extended to the comprehensive pharmacological profile of that compound on more than 70 receptors, transporters, and channels relevant to a CNS-oriented project. ... aid5169.table aid5169.tbin
5170 1 Title: 3-[3-(Piperidin-1-yl)propyl]indoles as highly selective h5-HT(1D) receptor agonists. Abstract: Several 5-HT(1D/1B) receptor agonists are now entering the marketplace as treatments for migraine. This paper describes the development of selective h5-HT(1D) receptor agonists as potential antimigraine agents which may produce fewer side effects. A series of 3-[3-(piperidin-1-yl)propyl]indoles has been synthesized which has led to the identification of 80 (L-772,405), a high-affinity h5-HT(1D) ... aid5170.table aid5170.tbin
5171 5 Title: Structure-activity relationships of a series of novel (piperazinylbutyl)thiazolidinone antipsychotic agents related to 3-[4-[4-(6-fluorobenzo[b]thien-3-yl)-1-piperazinyl]butyl]-2,5,5- trimethyl-4-thiazolidinone maleate. Abstract: HP-236 (3-[4-[4-(6-Fluorobenzo[b]thien-3-yl)-1-piperazinyl]butyl]-2,5,5- trimethyl-4-thiazolidinone maleate; P-9236) (54) displayed a pharmacological profile indicative of potential atypical antipsychotic activity. A series of piperazinyl butyl thiazolidinones st... aid5171.table aid5171.tbin
5172 1 Title: 6-Bicyclopiperazinyl-1-arylsulfonylindoles and 6-bicyclopiperidinyl-1-arylsulfonylindoles derivatives as novel, potent, and selective 5-HT6 receptor antagonists. Abstract: A novel series of 6-bicyclopiperazinyl-1-arylsulfonylindoles and 6-bicyclopiperidinyl-1-arylsulfonylindoles derivatives was synthesized and found to be potent and selective 5-HT6 receptor antagonists. aid5172.table aid5172.tbin
5173 2 Title: Solid-phase synthesis of 2,3-disubstituted indoles: discovery of a novel, high-affinity, selective h5-HT2A antagonist. Abstract: The application of a novel solid-phase synthesis of 2,3-disubstituted indoles utilizing a carbamate indole linker is described resulting in the identification of the novel, high-affinity, selective h5-HT2A antagonist 19. aid5173.table aid5173.tbin
5174 20 Title: 2-Aryl tryptamines: selective high-affinity antagonists for the h5-HT2A receptor. Abstract: A series of 2-aryl tryptamines have been identified as high-affinity h5-HT2A antagonists. Structure-activity relationship studies have shown that h5-HT2A affinity can be attained via modifications to the tryptamine side chain and that selectivity over h5-HT2C and hD2 receptors can be controlled by suitable C-2 aryl groups. aid5174.table aid5174.tbin
5175 22 Title: Synthesis and structure-activity relationship of 2-(aminoalkyl)-3,3a,8,12b-tetrahydro-2H-dibenzocyclohepta[1,2-b]furan derivatives: a novel series of 5-HT(2A/2C) receptor antagonists. Abstract: Following the program started at Johnson &amp; Johnson Pharmaceutical Research &amp; Development searching for 5-HT(2A/2C) antagonists we now report on the synthesis of a series of substituted 2-(aminomethyl)-3,3a,8,12b-tetrahydro-2H-dibenzocyclohepta[1,2-b]furan derivatives. The 5-HT2A, 5-HT2C and... aid5175.table aid5175.tbin
5176 31 Title: 3-(4-Fluoropiperidin-3-yl)-2-phenylindoles as high affinity, selective, and orally bioavailable h5-HT(2A) receptor antagonists. Abstract: The development of very high affinity, selective, and bioavailable h5-HT(2A) receptor antagonists is described. By investigation of the optimal position for the basic nitrogen in a series of 2-phenyl-3-piperidylindoles, it was found that with the basic nitrogen at the 3-position of the piperidine it was not necessary to further substitute the piperidine... aid5176.table aid5176.tbin
5177 4 Title: Dihydrobenzofuran analogues of hallucinogens. 4. Mescaline derivatives. Abstract: Dihydrobenzofuran and tetrahydrobenzodifuran functionalities were employed as conformationally restricted bioisosteres of the aromatic methoxy groups in the prototypical hallucinogen, mescaline (1). Thus, 4-(2-aminoethyl)-6,7-dimethoxy-2,3-dihydrobenzofuran hydrochloride (8) and 1-(8-methoxy-2,3,5,6-tetrahydrobenzo[1,2-b:5,4-b']difuran-4-yl)-2- aminoethane hydrochloride (9) were prepared and evaluated along ... aid5177.table aid5177.tbin
5178 1 Title: Dihydrobenzofuran analogues of hallucinogens. 3. Models of 4-substituted (2,5-dimethoxyphenyl)alkylamine derivatives with rigidified methoxy groups. Abstract: Tetrahydrobenzodifuran functionalities were employed as conformationally restricted bioisosteres of the aromatic methoxy groups in prototypical hallucinogenic phenylalkylamines 1 and 2. Thus, a series of 8-substituted 1-(2,3,6,7-tetrahydrobenzo[1,2-b:4,5-b']difuran-4-yl)-2-aminoal kanes (7a-e) were prepared and evaluated for activit... aid5178.table aid5178.tbin
5179 7 Title: Cycloalkyl[b][1,4]benzodiazepinoindoles are agonists at the human 5-HT2C receptor. Abstract: Evaluation of selected compounds from our Corporate Compound Library in a human 5-HT(2C) receptor binding assay led to the discovery of WAY-629, a cyclohexyl[b][1,4]benzodiazepinoindole (K(i) 56 nM, E(max) 90%), which is selective for the 5-HT(2C) receptor versus other serotonin receptor subtypes, and dopamine, histamine, adrenergic, and muscarinic receptors. In addition, WAY-629 was active in viv... aid5179.table aid5179.tbin
5180 4 Title: Cycloalkyl[b][1,4]benzodiazepinoindoles are agonists at the human 5-HT2C receptor. Abstract: Evaluation of selected compounds from our Corporate Compound Library in a human 5-HT(2C) receptor binding assay led to the discovery of WAY-629, a cyclohexyl[b][1,4]benzodiazepinoindole (K(i) 56 nM, E(max) 90%), which is selective for the 5-HT(2C) receptor versus other serotonin receptor subtypes, and dopamine, histamine, adrenergic, and muscarinic receptors. In addition, WAY-629 was active in viv... aid5180.table aid5180.tbin
5181 1 Title: Dihydrobenzofuran analogues of hallucinogens. 4. Mescaline derivatives. Abstract: Dihydrobenzofuran and tetrahydrobenzodifuran functionalities were employed as conformationally restricted bioisosteres of the aromatic methoxy groups in the prototypical hallucinogen, mescaline (1). Thus, 4-(2-aminoethyl)-6,7-dimethoxy-2,3-dihydrobenzofuran hydrochloride (8) and 1-(8-methoxy-2,3,5,6-tetrahydrobenzo[1,2-b:5,4-b']difuran-4-yl)-2- aminoethane hydrochloride (9) were prepared and evaluated along ... aid5181.table aid5181.tbin
5182 2 Title: Dihydrobenzofuran analogues of hallucinogens. 4. Mescaline derivatives. Abstract: Dihydrobenzofuran and tetrahydrobenzodifuran functionalities were employed as conformationally restricted bioisosteres of the aromatic methoxy groups in the prototypical hallucinogen, mescaline (1). Thus, 4-(2-aminoethyl)-6,7-dimethoxy-2,3-dihydrobenzofuran hydrochloride (8) and 1-(8-methoxy-2,3,5,6-tetrahydrobenzo[1,2-b:5,4-b']difuran-4-yl)-2- aminoethane hydrochloride (9) were prepared and evaluated along ... aid5182.table aid5182.tbin
5183 1 Title: Dihydrobenzofuran analogues of hallucinogens. 3. Models of 4-substituted (2,5-dimethoxyphenyl)alkylamine derivatives with rigidified methoxy groups. Abstract: Tetrahydrobenzodifuran functionalities were employed as conformationally restricted bioisosteres of the aromatic methoxy groups in prototypical hallucinogenic phenylalkylamines 1 and 2. Thus, a series of 8-substituted 1-(2,3,6,7-tetrahydrobenzo[1,2-b:4,5-b']difuran-4-yl)-2-aminoal kanes (7a-e) were prepared and evaluated for activit... aid5183.table aid5183.tbin
5184 3 Title: Substituted naphthofurans as hallucinogenic phenethylamine-ergoline hybrid molecules with unexpected muscarinic antagonist activity. Abstract: A series of substituted racemic naphthofurans were synthesized as &quot;hybrid&quot; molecules of the two major prototypical hallucinogenic drug classes, the phenethylamines and the tryptamines/ergolines. Although it was hypothesized that these new agents might possess high affinity for the serotonin 5-HT2A/2C receptor subtypes, unexpected affinity... aid5184.table aid5184.tbin
5185 3 Title: Substituted naphthofurans as hallucinogenic phenethylamine-ergoline hybrid molecules with unexpected muscarinic antagonist activity. Abstract: A series of substituted racemic naphthofurans were synthesized as &quot;hybrid&quot; molecules of the two major prototypical hallucinogenic drug classes, the phenethylamines and the tryptamines/ergolines. Although it was hypothesized that these new agents might possess high affinity for the serotonin 5-HT2A/2C receptor subtypes, unexpected affinity... aid5185.table aid5185.tbin
5186 3 Title: A novel (benzodifuranyl)aminoalkane with extremely potent activity at the 5-HT2A receptor. aid5186.table aid5186.tbin
5187 2 Title: Synthesis, receptor potency, and selectivity of halogenated diphenylpiperidines as serotonin 5-HT2A ligands for PET or SPECT brain imaging. Abstract: A series of 4'-substituted phenyl-4-piperidinylmethanol and benzoyl-4-piperidine derivatives was synthesized as potential novel serotonin 5-HT2A receptor ligands that can be radiolabeled for in vivo brain imaging. Compounds were prepared by alkylation of 4-substituted benzoyl-4-piperidine with an iodo- or fluoro-substituted phenylalkyl halid... aid5187.table aid5187.tbin
5188 8 Title: Synthesis and serotonin receptor affinities of a series of trans-2-(indol-3-yl)cyclopropylamine derivatives. Abstract: A series of four racemic ring-substituted trans-2-(indol-3-yl)cyclopropylamine derivatives was synthesized and tested for affinity at the 5-HT1A receptor, by competition with [3H]-8-OH-DPAT in rat hippocampal homogenates, and for affinity at the agonist-labeled cloned human 5-HT2A, 5-HT2B, and 5-HT2C receptor subtypes. None of the compounds had high affinity for the 5-HT1... aid5188.table aid5188.tbin
5189 33 Title: 4-(Phenylsulfonyl)piperidines: novel, selective, and bioavailable 5-HT(2A) receptor antagonists. Abstract: On the basis of a spirocyclic ether screening lead, a series of acyclic sulfones have been identified as high-affinity, selective 5-HT(2A) receptor antagonists. Bioavailability lacking in the parent, 1-(2-(2,4-difluorophenyl)ethyl)-4-(phenylsulfonyl)piperidine (12), was introduced by using stability toward rat liver microsomes as a predictor of bioavailability. By this means, the 4-c... aid5189.table aid5189.tbin
5190 1 Title: A new class of selective and potent inhibitors of neuronal nitric oxide synthase. Abstract: The synthesis and SAR of a series of 6-(4-(substituted)phenyl)-2-aminopyridines as inhibitors of nitric oxide synthase are described. Compound 3a from this series shows potent and selective inhibition of the human nNOS isoform, with pharmacokinetics sufficient to provide in vivo inhibition of nNOS activity. aid5190.table aid5190.tbin
5191 14 Title: Indoline derivatives as 5-HT(2C) receptor agonists. Abstract: A series of 1-(1-indolinyl)-2-propylamines was synthesised and evaluated as 5-HT(2C) receptor agonists for the treatment of obesity. The general methods of synthesis of the precursor indoles are described. The functional efficacy and radioligand binding data for all of the compounds at 5-HT(2) receptor subtypes are reported. A number of compounds were found to reduce food intake in rats after oral administration. aid5191.table aid5191.tbin
5192 32 Title: 2,3,4,5-tetrahydro- and 2,3,4,5,11,11a-hexahydro-1H-[1,4]diazepino[1,7-a]indoles: new templates for 5-HT(2C) agonists. Abstract: The design and synthesis of the novel 2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole 5 is described. This azepinoindole has excellent affinity for 5-HT(2C) (K(i) 4.8 nM) and modest selectivity over 5-HT(2A) ( approximately 4-fold). Several N- and C(11)-substituted analogues of 5 were prepared, as were a number of biaryl indoline derivatives. The anxiolytic po... aid5192.table aid5192.tbin
5193 11 Title: Synthesis of potent and selective dopamine D(4) antagonists as candidate radioligands. Abstract: A series of dopamine D(4) antagonists was synthesized and evaluated as potential candidates for development as positron emission tomography (PET) radioligands. All new compounds display high affinity and selectivity for the D(4) receptors and compounds 5b, 5d, and 5e were identified as candidates for radioligand development. aid5193.table aid5193.tbin
5194 1 Title: De novo design of a novel oxazolidinone analogue as a potent and selective alpha1A adrenergic receptor antagonist with high oral bioavailability. aid5194.table aid5194.tbin
5195 9 Title: Thiazoles and thiopyridines: novel series of high affinity h5HT(7) ligands. Abstract: A series of thiazole based 5HT(7) ligands has been identified from screening. Optimisation of the pendent aryl group and modification of the core gave a related series of high affinity, selective thiopyridine based 5HT(7) ligands, the most active of which behaves as a partial agonist. aid5195.table aid5195.tbin
5196 5 Title: Structure-activity relationships of a series of novel (piperazinylbutyl)thiazolidinone antipsychotic agents related to 3-[4-[4-(6-fluorobenzo[b]thien-3-yl)-1-piperazinyl]butyl]-2,5,5- trimethyl-4-thiazolidinone maleate. Abstract: HP-236 (3-[4-[4-(6-Fluorobenzo[b]thien-3-yl)-1-piperazinyl]butyl]-2,5,5- trimethyl-4-thiazolidinone maleate; P-9236) (54) displayed a pharmacological profile indicative of potential atypical antipsychotic activity. A series of piperazinyl butyl thiazolidinones st... aid5196.table aid5196.tbin
5197 8 Title: Selective optimization of side activities: another way for drug discovery. aid5197.table aid5197.tbin
5198 1 Title: Design and synthesis of novel alpha1a adrenoceptor-selective dihydropyridine antagonists for the treatment of benign prostatic hyperplasia. Abstract: We report the synthesis and evaluation of novel alpha1a adrenoceptor subtype-selective antagonists. Systematic modification of the lipophilic 4,4-diphenylpiperidinyl moiety of the dihydropyridine derivatives 1 and 2 provided several highly selective and potent alpha1a antagonists. From this series, we identified the 4-(methoxycarbonyl)-4-phe... aid5198.table aid5198.tbin
5199 12 Title: Current and novel approaches to the drug treatment of schizophrenia. aid5199.table aid5199.tbin
5200 1 Title: N-[3-(2-Dimethylaminoethyl)-2-methyl-1H- indol-5-yl]-4-fluorobenzamide: a potent, selective, and orally active 5-HT(1F) receptor agonist potentially useful for migraine therapy. Abstract: Recent studies have demonstrated that selective 5-HT(1F) receptor agonists inhibit neurogenic dural inflammation, a model of migraine headache, indicating that these compounds may be effective therapies for the treatment of migraine pain. This communication describes the synthesis and discovery of a nove... aid5200.table aid5200.tbin
5201 3 Title: 5-(Nonyloxy)tryptamine: a novel high-affinity 5-HT1D beta serotonin receptor agonist. aid5201.table aid5201.tbin
5202 1 Title: Thieno[3,2-b]- and thieno[2,3-b]pyrrole bioisosteric analogues of the hallucinogen and serotonin agonist N,N-dimethyltryptamine. Abstract: The synthesis and biological activity of 6-[2-(N, N-dimethylamino)ethyl]-4H-thieno[3,2-b]pyrrole (3a) and 4-[2-(N, N-dimethylamino)ethyl]-6H-thieno[2,3-b]pyrrole (3b), thienopyrroles as potential bioisosteres of N,N-dimethyltryptamine (1a), are reported. Hallucinogen-like activity was evaluated in the two-lever drug discrimination paradigm using LSD- a... aid5202.table aid5202.tbin
5203 1 Title: Thieno[3,2-b]- and thieno[2,3-b]pyrrole bioisosteric analogues of the hallucinogen and serotonin agonist N,N-dimethyltryptamine. Abstract: The synthesis and biological activity of 6-[2-(N, N-dimethylamino)ethyl]-4H-thieno[3,2-b]pyrrole (3a) and 4-[2-(N, N-dimethylamino)ethyl]-6H-thieno[2,3-b]pyrrole (3b), thienopyrroles as potential bioisosteres of N,N-dimethyltryptamine (1a), are reported. Hallucinogen-like activity was evaluated in the two-lever drug discrimination paradigm using LSD- a... aid5203.table aid5203.tbin
5204 16 Title: Synthesis, receptor potency, and selectivity of halogenated diphenylpiperidines as serotonin 5-HT2A ligands for PET or SPECT brain imaging. Abstract: A series of 4'-substituted phenyl-4-piperidinylmethanol and benzoyl-4-piperidine derivatives was synthesized as potential novel serotonin 5-HT2A receptor ligands that can be radiolabeled for in vivo brain imaging. Compounds were prepared by alkylation of 4-substituted benzoyl-4-piperidine with an iodo- or fluoro-substituted phenylalkyl halid... aid5204.table aid5204.tbin
5205 3 Title: Pyrrolo[1,3]benzothiazepine-based serotonin and dopamine receptor antagonists. Molecular modeling, further structure-activity relationship studies, and identification of novel atypical antipsychotic agents. Abstract: Recently we reported the pharmacological characterization of the 9,10-dihydropyrrolo[1,3]benzothiazepine derivative (S)-(+)-8 as a novel atypical antipsychotic agent. This compound had an optimum pK(i) 5-HT(2A)/D(2) ratio of 1.21 (pK(i) 5-HT(2A) = 8.83; pK(i) D(2) = 7.79). Th... aid5205.table aid5205.tbin
5206 6 Title: Pyrrolo[3,2,1-ij]quinoline derivatives, a 5-HT2c receptor agonist with selectivity over the 5-HT2a receptor: potential therapeutic applications for epilepsy and obesity. Abstract: A series of pyrrolo[3,2,1-ij]quinoline derivatives was synthesized, evaluated for their activity against the 5-HT2c and 5-HT2a, receptors and found to be agonists at 5-HT2c with selectivity over 5-HT2a. aid5206.table aid5206.tbin
5207 2 Title: Novel potent 5-HT(1F) receptor agonists: structure-activity studies of a series of substituted N-[3-(1-methyl-4-piperidinyl)-1H-pyrrolo[3,2-b]pyridin-5-yl]amides. Abstract: Compound 1a (LY334370), a selective 5-HT(1F) receptor agonist (SSOFRA), inhibited dural inflammation in the neurogenic plasma protein extravasation model of migraine and demonstrated clinical efficacy for the acute treatment of migraine. Although 1a was greater than 100-fold selective over both the 5-HT(1B) and 5-HT(1D... aid5207.table aid5207.tbin
5208 1 Title: A novel and selective 5-HT2 receptor agonist with ocular hypotensive activity: (S)-(+)-1-(2-aminopropyl)-8,9-dihydropyrano[3,2-e]indole. Abstract: Serotonin 5-HT2 receptor agonists have recently been shown to be effective in lowering intraocular pressure in nonhuman primates and represent a potential new class of antiglaucoma agents. As part of an effort to identify new selective agonists at this receptor, we have found that (S)-(+)-1-(2-aminopropyl)-8,9-dihydropyrano[3,2-e]indole (AL-373... aid5208.table aid5208.tbin
5209 4 Title: A novel and selective 5-HT2 receptor agonist with ocular hypotensive activity: (S)-(+)-1-(2-aminopropyl)-8,9-dihydropyrano[3,2-e]indole. Abstract: Serotonin 5-HT2 receptor agonists have recently been shown to be effective in lowering intraocular pressure in nonhuman primates and represent a potential new class of antiglaucoma agents. As part of an effort to identify new selective agonists at this receptor, we have found that (S)-(+)-1-(2-aminopropyl)-8,9-dihydropyrano[3,2-e]indole (AL-373... aid5209.table aid5209.tbin
5210 9 Title: 3-(4-Piperidinyl)- and 3-(8-aza-bicyclo[3.2.1]oct-3-yl)-2-phenyl-1H-indoles as bioavailable h5-HT2A antagonists. Abstract: A series of 3-(4-piperidinyl)- and 3-(8-aza-bicyclo[3.2.1]oct-3-yl)-2-phenyl-1H-indoles have been prepared and evaluated as ligands for the h5-HT2A receptor. 3-(8-Phenethyl-8-aza-bicyclo[3.2.1]oct-3-yl)-2-phenyl-1H-indole is a high-affinity (1.2nM), selective (&gt;800 fold over h5-HT2C and hD2 receptors) antagonist at the h5-HT2A receptor with oral bioavailability in ... aid5210.table aid5210.tbin
5211 3 Title: Evaluation of isotryptamine derivatives at 5-HT(2) serotonin receptors. Abstract: On the basis that meta-chlorophenylpiperazine (mCPP; 1) is a nonselective 5-HT(2C) agonist, that benz-fused tryptamines (e.g., 5) display enhanced 5-HT(2) affinity, and that certain isotryptamines 3 reportedly bind with enhanced affinity and selectivity at 5-HT(2C) receptors, we prepared and examined a series of isotryptamine-related analogues as potentially selective 5-HT(2C) agonists. None of the compounds... aid5211.table aid5211.tbin
5212 12 Title: Evaluation of isotryptamine derivatives at 5-HT(2) serotonin receptors. Abstract: On the basis that meta-chlorophenylpiperazine (mCPP; 1) is a nonselective 5-HT(2C) agonist, that benz-fused tryptamines (e.g., 5) display enhanced 5-HT(2) affinity, and that certain isotryptamines 3 reportedly bind with enhanced affinity and selectivity at 5-HT(2C) receptors, we prepared and examined a series of isotryptamine-related analogues as potentially selective 5-HT(2C) agonists. None of the compounds... aid5212.table aid5212.tbin
5213 2 Title: Evaluation of isotryptamine derivatives at 5-HT(2) serotonin receptors. Abstract: On the basis that meta-chlorophenylpiperazine (mCPP; 1) is a nonselective 5-HT(2C) agonist, that benz-fused tryptamines (e.g., 5) display enhanced 5-HT(2) affinity, and that certain isotryptamines 3 reportedly bind with enhanced affinity and selectivity at 5-HT(2C) receptors, we prepared and examined a series of isotryptamine-related analogues as potentially selective 5-HT(2C) agonists. None of the compounds... aid5213.table aid5213.tbin
5214 14 Title: Evaluation of isotryptamine derivatives at 5-HT(2) serotonin receptors. Abstract: On the basis that meta-chlorophenylpiperazine (mCPP; 1) is a nonselective 5-HT(2C) agonist, that benz-fused tryptamines (e.g., 5) display enhanced 5-HT(2) affinity, and that certain isotryptamines 3 reportedly bind with enhanced affinity and selectivity at 5-HT(2C) receptors, we prepared and examined a series of isotryptamine-related analogues as potentially selective 5-HT(2C) agonists. None of the compounds... aid5214.table aid5214.tbin
5215 1 Title: Evaluation of isotryptamine derivatives at 5-HT(2) serotonin receptors. Abstract: On the basis that meta-chlorophenylpiperazine (mCPP; 1) is a nonselective 5-HT(2C) agonist, that benz-fused tryptamines (e.g., 5) display enhanced 5-HT(2) affinity, and that certain isotryptamines 3 reportedly bind with enhanced affinity and selectivity at 5-HT(2C) receptors, we prepared and examined a series of isotryptamine-related analogues as potentially selective 5-HT(2C) agonists. None of the compounds... aid5215.table aid5215.tbin
5216 1 Title: Evaluation of isotryptamine derivatives at 5-HT(2) serotonin receptors. Abstract: On the basis that meta-chlorophenylpiperazine (mCPP; 1) is a nonselective 5-HT(2C) agonist, that benz-fused tryptamines (e.g., 5) display enhanced 5-HT(2) affinity, and that certain isotryptamines 3 reportedly bind with enhanced affinity and selectivity at 5-HT(2C) receptors, we prepared and examined a series of isotryptamine-related analogues as potentially selective 5-HT(2C) agonists. None of the compounds... aid5216.table aid5216.tbin
5217 2 Title: Synthesis and serotonin receptor affinities of a series of enantiomers of alpha-methyltryptamines: evidence for the binding conformation of tryptamines at serotonin 5-HT1B receptors. Abstract: A procedure for the preparation of optically pure alpha-methyltryptamines (AMTs) from substituted indoles was developed. The key step in the sequence was the reductive amination of substituted indole-2-propanones with the commercially available pure enantiomers of alpha-methylbenzylamine, followed b... aid5217.table aid5217.tbin
5218 7 Title: 2-Phenylpyrroles as conformationally restricted benzamide analogues. A new class of potential antipsychotics. 1. Abstract: 2-Phenylpyrroles were synthesized as conformationally restricted analogues of the substituted benzamide sultopride and the butyrophenones haloperidol and fluanisone. Dopamine antagonistic activity is maintained if the 2-phenylpyrrole side chain is linked to the pharmacophoric N-ethylpyrrolidine moiety of sultopride or to the 4-substituted piperazine moiety of fluaniso... aid5218.table aid5218.tbin
5219 3 Title: Benzofuran bioisosteres of hallucinogenic tryptamines. Abstract: The benzofuran analogues of the hallucinogens 5-methoxy-N,N-dimethyltryptamine and 5-methoxy-alpha-methyltryptamine were synthesized and evaluated for affinity at the serotonin 5-HT2 and 5-HT1A receptors in rat brain homogenate, labeled with [125I]-1-(2,5-dimethoxy-4-iodophenyl)-2-aminopropane ([125I]DOI) and [3H]-8-hydroxy-2-(N,N-di-n-propylamino)tetralin ([3H]-8-OH-DPAT), respectively. At the 5-HT2 receptor, the benzofuran... aid5219.table aid5219.tbin
5220 6 Title: N-methyl derivatives of the 5-HT2 agonist 1-(4-bromo-2,5-dimethoxyphenyl)-2-aminopropane. Abstract: 1-(4-Bromo-2,5-dimethoxyphenyl)-2-aminopropane (DOB) is a serotonin (5-HT) agonist that displays a high affinity and selectivity for a certain population of central 5-HT binding sites (i.e., 5-HT2 sites). In the present study, (a) an enantiomeric potency comparison was made for the optical isomers of DOB and (b) the activity of N-monomethyl-,N,N-dimethyl-, and N,N,N-trimethyl-DOB was examin... aid5220.table aid5220.tbin
5221 6 Title: N-methyl derivatives of the 5-HT2 agonist 1-(4-bromo-2,5-dimethoxyphenyl)-2-aminopropane. Abstract: 1-(4-Bromo-2,5-dimethoxyphenyl)-2-aminopropane (DOB) is a serotonin (5-HT) agonist that displays a high affinity and selectivity for a certain population of central 5-HT binding sites (i.e., 5-HT2 sites). In the present study, (a) an enantiomeric potency comparison was made for the optical isomers of DOB and (b) the activity of N-monomethyl-,N,N-dimethyl-, and N,N,N-trimethyl-DOB was examin... aid5221.table aid5221.tbin
5222 17 Title: Syntheses and platelet aggregation inhibitory and antithrombotic properties of [2-[(omega-aminoalkoxy)phenyl]ethyl]benzenes. Abstract: A series of [2-[(omega-aminoalkoxy)phenyl]ethyl]benzene derivatives were synthesized and evaluated for their ability to inhibit collagen-induced platelet aggregation in vitro and to protect experimental thrombosis in mice. The results showed that the compounds were in vitro inhibitors of collagen-induced platelet aggregation. Most of them were also effecti... aid5222.table aid5222.tbin
5223 1 Title: A structure-affinity study of the binding of 4-substituted analogues of 1-(2,5-dimethoxyphenyl)-2-aminopropane at 5-HT2 serotonin receptors. Abstract: With [3H]ketanserin as the radioligand, structure-affinity relationships (SAFIRs) for binding at central 5-HT2 serotonin receptors (rat frontal cortex) were examined for a series of 27 4-substituted 1-(2,5-dimethoxyphenyl)-2-aminopropane derivatives (2,5-DMAs). The affinity (Ki values) ranged over a span of several orders of magnitude. It a... aid5223.table aid5223.tbin
5224 4 Title: Effect of a chiral 4-alkyl substituent in hallucinogenic amphetamines. Abstract: The potency of hallucinogenic amphetamine derivatives of the 1-(2,5-dimethoxy-4-alkylphenyl)-2-aminopropane type drops dramatically when the length of the 4-alkyl substituent exceeds propyl or when the substituent is branched. This investigation was directed toward evaluating changes in behavioral and biochemical pharmacology resulting from introducing chirality into the 4-alkyl group of such analogues. Two d... aid5224.table aid5224.tbin
5225 31 Title: Ketanserin analogues: structure-affinity relationships for 5-HT2 and 5-HT1C serotonin receptor binding. Abstract: Ketanserin is the prototypic 5-HT2 serotonin antagonist; although it has been an important tool for the study of serotonin pharmacology, it has had relatively little impact on drug design because remarkably little is known about its structure-affinity relationships. Furthermore, ketanserin also binds at 5-HT1C receptors and even less is known about the influence of its structu... aid5225.table aid5225.tbin
5226 27 Title: A structure-affinity study of the binding of 4-substituted analogues of 1-(2,5-dimethoxyphenyl)-2-aminopropane at 5-HT2 serotonin receptors. Abstract: With [3H]ketanserin as the radioligand, structure-affinity relationships (SAFIRs) for binding at central 5-HT2 serotonin receptors (rat frontal cortex) were examined for a series of 27 4-substituted 1-(2,5-dimethoxyphenyl)-2-aminopropane derivatives (2,5-DMAs). The affinity (Ki values) ranged over a span of several orders of magnitude. It a... aid5226.table aid5226.tbin
5227 14 Title: Binding of indolylalkylamines at 5-HT2 serotonin receptors: examination of a hydrophobic binding region. Abstract: Taking advantage of a proposed hydrophobic region on 5-HT2 receptors previously identified by radioligand-binding studies utilizing various phenylisopropylamine derivatives, we prepared and evaluated several N1 - and/or C7-alkyl-substituted derivatives of alpha-methyltryptamine in order to improve its affinity and selectivity. It was determined that substitution of an n-propy... aid5227.table aid5227.tbin
5228 16 Title: Activity of aromatic substituted phenylpiperazines lacking affinity for dopamine binding sites in a preclinical test of antipsychotic efficacy. Abstract: Generally, antipsychotic agents are dopamine receptor blocking agents that also block conditioned avoidance responding (CAR) in the rat. Recently, however, both (Q-methoxyphenyl)piperazine (OMPP, 1h) and (m-chlorophenyl)piperazine (MCPP, 1o) have been reported to block conditioned avoidance responding in the rat although neither has dopa... aid5228.table aid5228.tbin
5229 3 Title: Pyrrole mannich bases as potential antipsychotic agents. Abstract: Recently, we reported on a series of arylpiperazines 4 which exhibit high affinity for the serotonin 5-HT-1A and 5-HT-1B binding sites. Although these compounds interact weakly with dopamine D-1 and D-2 receptors, they are reasonably potent in inhibiting conditioned avoidance responding (CAR) in the rat, an indication of potential antipsychotic activity. Conversion of these arylpiperazines to pyrrole Mannich bases has prov... aid5229.table aid5229.tbin
5230 1 Title: Activity of aromatic substituted phenylpiperazines lacking affinity for dopamine binding sites in a preclinical test of antipsychotic efficacy. Abstract: Generally, antipsychotic agents are dopamine receptor blocking agents that also block conditioned avoidance responding (CAR) in the rat. Recently, however, both (Q-methoxyphenyl)piperazine (OMPP, 1h) and (m-chlorophenyl)piperazine (MCPP, 1o) have been reported to block conditioned avoidance responding in the rat although neither has dopa... aid5230.table aid5230.tbin
5231 8 Title: (S)-(-)-4-[4-[2-(isochroman-1-yl)ethyl]-piperazin-1-yl] benzenesulfonamide, a selective dopamine D4 antagonist. aid5231.table aid5231.tbin
5232 12 Title: Synthesis and structure activity relationships of cis- and trans-2,3,4,4a,9,9a-hexahydro-1H-indeno[2,1-c]pyridines for 5-HT receptor subtypes. Abstract: A series of cis- and trans-fused hexahydroindeno[2,1-c]pyridines have been prepared and evaluated for affinity and selectivity at the 5-HT1A subtype of the serotonin receptor. Using molecular modeling studies we predicted that the 5-methoxy-trans-fused members of this class would exhibit affinity for this site. In agreement with these pre... aid5232.table aid5232.tbin
5233 11 Title: N-[[1-(2-phenylethyl)pyrrolidin-2-yl]methyl]cyclohexanecarboxamides as selective 5-HT1A receptor agonists. Abstract: A series of benzamides was synthesized as selective agonists for the 5-HT1A receptor. It was found that (S)-N-[[1-(2-phenylethyl)pyrrolidin-2-yl]methyl]cyclohexanecarb oxamide(7-(S)) has potent and selective agonistic activity for the 5-HT1A receptor (5-HT1A; Ki 0.49 nmol/L, D2; IC50 = &gt;1000 nmol/L, 5-HT2; Ki = 240 nmol/L). aid5233.table aid5233.tbin
5234 2 Title: Activity of aromatic substituted phenylpiperazines lacking affinity for dopamine binding sites in a preclinical test of antipsychotic efficacy. Abstract: Generally, antipsychotic agents are dopamine receptor blocking agents that also block conditioned avoidance responding (CAR) in the rat. Recently, however, both (Q-methoxyphenyl)piperazine (OMPP, 1h) and (m-chlorophenyl)piperazine (MCPP, 1o) have been reported to block conditioned avoidance responding in the rat although neither has dopa... aid5234.table aid5234.tbin
5235 1 Title: Analogues of the 5-HT1A serotonin antagonist 1-(2-methoxyphenyl)-4-[4-(2-phthalimido)butyl]piperazine with reduced alpha 1-adrenergic affinity. Abstract: 1-(2-Methoxyphenyl)-4-[4-(2-phthalimido)butyl]piperazine (NAN-190; 1a) is a putative postsynaptic 5-HT1A serotonin antagonist. This high affinity ligand (Ki = 0.6 nM), although selective for 5-HT1A versus other 5-HT receptors, binds with nearly equal affinity at alpha 1-adrenergic receptors (Ki = 0.8 nm). Structure-affinity relationship ... aid5235.table aid5235.tbin
5236 1 Binding affinity against [3H]ketanserin binding to 5-hydroxytryptamine 2 receptor expressed in CHO-K1 cells aid5236.table aid5236.tbin
5237 3 Binding affinity against [3H]ketanserin binding to 5-hydroxytryptamine 2 receptor expressed in CHO-K1 cells aid5237.table aid5237.tbin
5238 7 Title: Central serotonin receptors as targets for drug research. aid5238.table aid5238.tbin
5239 3 Title: Central serotonin receptors as targets for drug research. aid5239.table aid5239.tbin
5240 9 Title: Central serotonin receptors as targets for drug research. aid5240.table aid5240.tbin
5241 13 Title: Pyrroloisoquinoline antidepressants. 2. In-depth exploration of structure-activity relationships. Abstract: A series of pyrrolo[2,1-a]isoquinolines, and related compounds, were examined for antidepressant-like activity, by virtue of their antagonism of tetrabenazine-induced ptosis and sedation, and inhibition of biogenic amine uptake. Thus, we have identified some of the most potent antagonists of TBZ-induced ptosis and some of the most potent inhibitors of the uptake of dopamine, norepin... aid5241.table aid5241.tbin
5242 2 Title: Pyrroloisoquinoline antidepressants. 2. In-depth exploration of structure-activity relationships. Abstract: A series of pyrrolo[2,1-a]isoquinolines, and related compounds, were examined for antidepressant-like activity, by virtue of their antagonism of tetrabenazine-induced ptosis and sedation, and inhibition of biogenic amine uptake. Thus, we have identified some of the most potent antagonists of TBZ-induced ptosis and some of the most potent inhibitors of the uptake of dopamine, norepin... aid5242.table aid5242.tbin
5243 1 Title: N,N-di-n-propylserotonin: binding at serotonin binding sites and a comparison with 8-hydroxy-2-(di-n-propylamino)tetralin. Abstract: 8-Hydroxy-2-(di-n-propylamino)tetralin (8-OH-DPAT) is a serotonergic agonist with high affinity and selectivity for a particular population of central serotonin (5-HT) binding sites (i.e., 5-HT1A sites). Because the selectivity of 8-OH-DPAT may be due to the terminal amine substituents, the di-n-propyl analogue of 5-HT (i.e., 4) and of 5-methoxytryptamine (i... aid5243.table aid5243.tbin
5244 1 Title: N,N-di-n-propylserotonin: binding at serotonin binding sites and a comparison with 8-hydroxy-2-(di-n-propylamino)tetralin. Abstract: 8-Hydroxy-2-(di-n-propylamino)tetralin (8-OH-DPAT) is a serotonergic agonist with high affinity and selectivity for a particular population of central serotonin (5-HT) binding sites (i.e., 5-HT1A sites). Because the selectivity of 8-OH-DPAT may be due to the terminal amine substituents, the di-n-propyl analogue of 5-HT (i.e., 4) and of 5-methoxytryptamine (i... aid5244.table aid5244.tbin
5245 1 Title: Central serotonin receptors as targets for drug research. aid5245.table aid5245.tbin
5246 14 Title: Azepinoindole derivatives with high affinity for brain dopamine and serotonin receptors. Abstract: We synthesized 20 and 21 as conformationally constrained analogues of the dopamine receptor antagonist SKF-83742, as well as analogues 6-9, 16, and 18-22. Although 20 and 21 were inactive, 7, 9, and 19 showed strong binding to D-1, D-2, S-2, and alpha-1 receptors, as well as antipsychotic activity in vivo. aid5246.table aid5246.tbin
5247 1 Title: Serotonergic properties of spiroxatrine enantiomers. Abstract: The neuroleptic drug spiperone (1) has proven very useful in the characterization of putative serotonin (5-hydroxytryptamine, 5-HT) receptors. Thus, 5-HT1 receptors have been divided into subtypes based on their affinities for 1: 5-HT1A sites have high affinity, while 5-HT1B sites have low affinity. However, the usefulness of 1 for the pharmacological characterization of 5-HT1A sites is limited because of its high affinity for... aid5247.table aid5247.tbin
5248 4 Title: 5-HT1 and 5-HT2 binding profiles of the serotonergic agents alpha-methylserotonin and 2-methylserotonin. Abstract: alpha-Methyl-5-hydroxytryptamine (alpha-Me-5-HT; 2) and 2-methyl-5-hydroxytryptamine (2-Me-5-HT; 3) are considered to be 5-HT2-selective and 5-HT3-selective agents, respectively. These agents were synthesized and examined at serotonin (5-HT) binding sites because there is relatively little documentation as to their selectivity and because they have not been previously examine... aid5248.table aid5248.tbin
5249 1 Title: New antipsychotic agents with serotonin and dopamine antagonist properties based on a pyrrolo[2,1-b][1,3]benzothiazepine structure. Abstract: The development of a synthetic approach to the novel pyrrolo[2, 1-b][1,3]benzothiazepine and its derivatives and their biological evaluation as potential antipsychotic drugs are described. In binding studies these compounds proved to be potent 5-HT2, D2, and D3 receptor ligands. The more potent benzothiazepine (+/-)-3b was resolved into its enantiom... aid5249.table aid5249.tbin
5250 4 Title: New antipsychotic agents with serotonin and dopamine antagonist properties based on a pyrrolo[2,1-b][1,3]benzothiazepine structure. Abstract: The development of a synthetic approach to the novel pyrrolo[2, 1-b][1,3]benzothiazepine and its derivatives and their biological evaluation as potential antipsychotic drugs are described. In binding studies these compounds proved to be potent 5-HT2, D2, and D3 receptor ligands. The more potent benzothiazepine (+/-)-3b was resolved into its enantiom... aid5250.table aid5250.tbin
5251 1 Title: Naphthosultam derivatives: a new class of potent and selective 5-HT2 antagonists. Abstract: A series of 2-(aminoalkyl)naphth[1,8-cd]isothiazole 1,1-dioxides was synthesized and examined in various receptor binding tests. Most compounds demonstrated high affinity for the 5-HT2 receptor with moderate to high selectivity. A member of this series, compound 24 (RP 62203), displays high 5-HT2 receptor affinity (Ki = 0.26 nM), which is respectively more than 100 and 1000 times higher than its af... aid5251.table aid5251.tbin
5252 1 Title: Naphthosultam derivatives: a new class of potent and selective 5-HT2 antagonists. Abstract: A series of 2-(aminoalkyl)naphth[1,8-cd]isothiazole 1,1-dioxides was synthesized and examined in various receptor binding tests. Most compounds demonstrated high affinity for the 5-HT2 receptor with moderate to high selectivity. A member of this series, compound 24 (RP 62203), displays high 5-HT2 receptor affinity (Ki = 0.26 nM), which is respectively more than 100 and 1000 times higher than its af... aid5252.table aid5252.tbin
5253 7 Title: Studies on quinazolines and 1,2,4-benzothiadiazine 1,1-dioxides. 8.1, 2 synthesis and pharmacological evaluation of tricyclic fused quinazolines and 1,2,4-benzothiadiazine 1,1-dioxides as potential alpha1-adrenoceptor antagonists. Abstract: A series of 2-substituted methyl 2,3-dihydroimidazo[1, 2-c]quinazolin-5(6H)-ones (4), 3-substituted methyl 2, 3-dihydroimidazo[1,2-c]quinazolin-5(6H)-ones (5), 3-substituted methyl 2,3-dihydro-5H-thiazolo[2,3-b]quinazolin-5-ones (15a,b), 3-substituted ... aid5253.table aid5253.tbin
5254 2 Title: NGB 2904 and NGB 2849: two highly selective dopamine D3 receptor antagonists. Abstract: N-(4-[4- inverted question mark2, 3-dichlorophenyl inverted question mark-1-piperazinyl]butyl)-3-fluorenylcarboxamide and N-(4-[4- inverted question mark2, 3-dichlorophenyl inverted question mark-1-piperazinyl]butyl)-2-biphenylenylcarboxamide were prepared in several steps from 2,3-dichloroaniline. These compounds were identified as highly selective dopamine D3 receptor antagonists. aid5254.table aid5254.tbin
5255 2 Title: 3-[4-[1-(6-Fluorobenzo[b]thiophen-3-yl)-4-piperazinyl]butyl]- 2,5,5-trimethyl-4-thiazolidinone: a new atypical antipsychotic agent for the treatment of schizophrenia. aid5255.table aid5255.tbin
5256 1 Title: 3-[4-[1-(6-Fluorobenzo[b]thiophen-3-yl)-4-piperazinyl]butyl]- 2,5,5-trimethyl-4-thiazolidinone: a new atypical antipsychotic agent for the treatment of schizophrenia. aid5256.table aid5256.tbin
5257 6 Title: 2,3-Dihydrobenzofuran analogues of hallucinogenic phenethylamines. Abstract: Two 2,3-dihydrobenzofuran analogues of hallucinogenic amphetamines were prepared and evaluated for activity in the two-lever drug-discrimination paradigm in rats trained to discriminate saline from LSD tartrate (0.08 mg/kg) and for the ability to displace [125I]-(R)-DOI [( 125I]-(R)-1-(2,5-dimethoxy-4-iodophenyl)-2-aminopropane) from rat cortical homogenate 5-HT2 receptors. The compounds, 1-(5-methoxy-2,3-dihydro... aid5257.table aid5257.tbin
5258 26 Ability to displace [3H]ketanserin from serotonergic 5-hydroxytryptamine 2 receptor aid5258.table aid5258.tbin
5259 8 Compound was evaluated for its ability to displace [3H]ketanserin from serotonergic 5-hydroxytryptamine 2 receptor aid5259.table aid5259.tbin
5260 3 Title: Ketanserin analogues: structure-affinity relationships for 5-HT2 and 5-HT1C serotonin receptor binding. Abstract: Ketanserin is the prototypic 5-HT2 serotonin antagonist; although it has been an important tool for the study of serotonin pharmacology, it has had relatively little impact on drug design because remarkably little is known about its structure-affinity relationships. Furthermore, ketanserin also binds at 5-HT1C receptors and even less is known about the influence of its structu... aid5260.table aid5260.tbin
5261 1 Compound was evaluated for its binding affinity to 5-hydroxytryptamine 2 receptor in rat cortex using [3H]ketanserin radioligand assay aid5261.table aid5261.tbin
5262 4 Title: 7-Methyl-6,7,8,9,14,15-hexahydro-5H-benz[d]indolo[2,3-g]azecine: a new heterocyclic system and a new lead compound for dopamine receptor antagonists. Abstract: Partially hydrogenated derivatives of the new heterocyclic ring systems benz[d]indolo[2,3-g]azecine and bisindolo[3,2-d][2, 3-g]azecine were synthesized starting from lactones and amines via the described synthetic methods. In binding assays with rat striatal receptors, 7-methyl-6,7,8,9,14,15-hexahydro-5H-benz[d]indolo[2, 3-g]azeci... aid5262.table aid5262.tbin
5263 27 Title: Binding of phenylalkylamine derivatives at 5-HT1C and 5-HT2 serotonin receptors: evidence for a lack of selectivity. Abstract: Certain phenylalkylamine derivatives have been considered to bind selectively at 5-HT2 serotonin receptors. It is now recognized that the most widely used derivatives, i.e., 1-(2,5-dimethoxy-4-X-phenyl)-2-aminopropanes where X = Me (DOM), Br (DOB), and I (DOI) (1-3, respectively) also bind at the more recently identified population of serotonin 5-HT1C receptors. T... aid5263.table aid5263.tbin
5264 1 Title: Binding of phenylalkylamine derivatives at 5-HT1C and 5-HT2 serotonin receptors: evidence for a lack of selectivity. Abstract: Certain phenylalkylamine derivatives have been considered to bind selectively at 5-HT2 serotonin receptors. It is now recognized that the most widely used derivatives, i.e., 1-(2,5-dimethoxy-4-X-phenyl)-2-aminopropanes where X = Me (DOM), Br (DOB), and I (DOI) (1-3, respectively) also bind at the more recently identified population of serotonin 5-HT1C receptors. T... aid5264.table aid5264.tbin
5265 2 Title: Synthesis and pharmacological evaluation of 1-(aminomethyl)-3,4-dihydro-5-hydroxy-1H-2-benzopyrans as dopamine D1 selective ligands. Abstract: A series of 3-substituted 1-(aminomethyl)-3,4-dihydro-5-hydroxy-1H-2- benzopyrans were prepared as potential D1 selective antagonists. The compounds were evaluated for their affinity and selectivity for the D1 receptor as well as for their functional antagonism of D1-mediated pharmacological events. The compounds show potent D1 antagonist propertie... aid5265.table aid5265.tbin
5266 1 Title: In vitro labeling of serotonin-S2 receptors: synthesis and binding characteristics of [3H]-7-aminoketanserin. Abstract: [3H]-7-Aminoketanserin (7-amino-3-[2-[4-(2-tritio-4-fluorobenzoyl)-1- piperidinyl]ethyl]-2,4-(1H,3H)-quinazolinedione), an amino derivative of the selective serotonin-S2 antagonist ketanserin, was synthesized and tested for in vitro labeling of serotonin-S2 receptors. The compound showed a very high affinity for both membrane-bound and detergent-solubilized serotonin-S2 ... aid5266.table aid5266.tbin
5267 14 Title: 5-HT1 and 5-HT2 binding characteristics of some quipazine analogues. Abstract: Arylpiperazines, such as 1-(3-trifluoromethylphenyl)piperazine (TFMPP) and its chloro analogue mCPP, are 5-HT1 agonists, whereas quipazine, i.e., 2-(1-piperazino)quinoline, appears to be a 5-HT2 agonist. Radioligand binding studies using rat cortical membrane homogenates and drug discrimination studies using rats trained to discriminate a 5-HT1 agonist (i.e., TFMPP) or a 5-HT2 agonist (i.e., 1-(2,5-dimethoxy-4-... aid5267.table aid5267.tbin
5268 14 Title: Synthesis and evaluation of phenyl- and benzoylpiperazines as potential serotonergic agents. Abstract: The binding of a series of phenylpiperazines (3) and benzoylpiperazines (4) to central serotonin (5-HT) sites was investigated. Several derivatives of 3 displayed nanomolar affinities for 5-HT1 sites, whereas derivatives of 4 were essentially inactive both at 5-HT1 and 5-HT2 sites. 1-(2-Methoxyphenyl)piperazine (2-MPP, 3a) was found to possess an affinity (Ki = 35 nM) for 5-HT1 sites com... aid5268.table aid5268.tbin
5269 2 Title: Central serotonin receptors as targets for drug research. aid5269.table aid5269.tbin
5270 42 Title: Central serotonin receptors as targets for drug research. aid5270.table aid5270.tbin
5271 1 Title: Central serotonin receptors as targets for drug research. aid5271.table aid5271.tbin
5272 2 Title: Central serotonin receptors as targets for drug research. aid5272.table aid5272.tbin
5273 17 Title: Central serotonin receptors as targets for drug research. aid5273.table aid5273.tbin
5274 1 Title: Central serotonin receptors as targets for drug research. aid5274.table aid5274.tbin
5275 1 Title: Central serotonin receptors as targets for drug research. aid5275.table aid5275.tbin
5276 17 Title: Antipsychotic activity of substituted gamma-carbolines. Abstract: Several novel substituted gamma-carbolines were synthesized and examined in a series of in vitro and in vivo pharmacological tests to determine potential antipsychotic activity. Most compounds were orally active in blocking the conditioned avoidance response (CAR) in rats but did not antagonize apomorphine-induced stereotyped behavior. Compound 17 (Wy-47,384), a gamma-carboline with a 3-(3-pyridinyl)propyl side chain, was s... aid5276.table aid5276.tbin
5277 1 Title: Antipsychotic activity of substituted gamma-carbolines. Abstract: Several novel substituted gamma-carbolines were synthesized and examined in a series of in vitro and in vivo pharmacological tests to determine potential antipsychotic activity. Most compounds were orally active in blocking the conditioned avoidance response (CAR) in rats but did not antagonize apomorphine-induced stereotyped behavior. Compound 17 (Wy-47,384), a gamma-carboline with a 3-(3-pyridinyl)propyl side chain, was s... aid5277.table aid5277.tbin
5278 1 Title: Antipsychotic activity of substituted gamma-carbolines. Abstract: Several novel substituted gamma-carbolines were synthesized and examined in a series of in vitro and in vivo pharmacological tests to determine potential antipsychotic activity. Most compounds were orally active in blocking the conditioned avoidance response (CAR) in rats but did not antagonize apomorphine-induced stereotyped behavior. Compound 17 (Wy-47,384), a gamma-carboline with a 3-(3-pyridinyl)propyl side chain, was s... aid5278.table aid5278.tbin
5279 2 Title: Antipsychotic activity of substituted gamma-carbolines. Abstract: Several novel substituted gamma-carbolines were synthesized and examined in a series of in vitro and in vivo pharmacological tests to determine potential antipsychotic activity. Most compounds were orally active in blocking the conditioned avoidance response (CAR) in rats but did not antagonize apomorphine-induced stereotyped behavior. Compound 17 (Wy-47,384), a gamma-carboline with a 3-(3-pyridinyl)propyl side chain, was s... aid5279.table aid5279.tbin
5280 1 Title: Antipsychotic activity of substituted gamma-carbolines. Abstract: Several novel substituted gamma-carbolines were synthesized and examined in a series of in vitro and in vivo pharmacological tests to determine potential antipsychotic activity. Most compounds were orally active in blocking the conditioned avoidance response (CAR) in rats but did not antagonize apomorphine-induced stereotyped behavior. Compound 17 (Wy-47,384), a gamma-carboline with a 3-(3-pyridinyl)propyl side chain, was s... aid5280.table aid5280.tbin
5281 1 Title: Antipsychotic activity of substituted gamma-carbolines. Abstract: Several novel substituted gamma-carbolines were synthesized and examined in a series of in vitro and in vivo pharmacological tests to determine potential antipsychotic activity. Most compounds were orally active in blocking the conditioned avoidance response (CAR) in rats but did not antagonize apomorphine-induced stereotyped behavior. Compound 17 (Wy-47,384), a gamma-carboline with a 3-(3-pyridinyl)propyl side chain, was s... aid5281.table aid5281.tbin
5282 1 Title: Antipsychotic activity of substituted gamma-carbolines. Abstract: Several novel substituted gamma-carbolines were synthesized and examined in a series of in vitro and in vivo pharmacological tests to determine potential antipsychotic activity. Most compounds were orally active in blocking the conditioned avoidance response (CAR) in rats but did not antagonize apomorphine-induced stereotyped behavior. Compound 17 (Wy-47,384), a gamma-carboline with a 3-(3-pyridinyl)propyl side chain, was s... aid5282.table aid5282.tbin
5283 1 Title: Antipsychotic activity of substituted gamma-carbolines. Abstract: Several novel substituted gamma-carbolines were synthesized and examined in a series of in vitro and in vivo pharmacological tests to determine potential antipsychotic activity. Most compounds were orally active in blocking the conditioned avoidance response (CAR) in rats but did not antagonize apomorphine-induced stereotyped behavior. Compound 17 (Wy-47,384), a gamma-carboline with a 3-(3-pyridinyl)propyl side chain, was s... aid5283.table aid5283.tbin
5284 1 Title: Antipsychotic activity of substituted gamma-carbolines. Abstract: Several novel substituted gamma-carbolines were synthesized and examined in a series of in vitro and in vivo pharmacological tests to determine potential antipsychotic activity. Most compounds were orally active in blocking the conditioned avoidance response (CAR) in rats but did not antagonize apomorphine-induced stereotyped behavior. Compound 17 (Wy-47,384), a gamma-carboline with a 3-(3-pyridinyl)propyl side chain, was s... aid5284.table aid5284.tbin
5285 1 Title: Antipsychotic activity of substituted gamma-carbolines. Abstract: Several novel substituted gamma-carbolines were synthesized and examined in a series of in vitro and in vivo pharmacological tests to determine potential antipsychotic activity. Most compounds were orally active in blocking the conditioned avoidance response (CAR) in rats but did not antagonize apomorphine-induced stereotyped behavior. Compound 17 (Wy-47,384), a gamma-carboline with a 3-(3-pyridinyl)propyl side chain, was s... aid5285.table aid5285.tbin
5286 1 Title: Antipsychotic activity of substituted gamma-carbolines. Abstract: Several novel substituted gamma-carbolines were synthesized and examined in a series of in vitro and in vivo pharmacological tests to determine potential antipsychotic activity. Most compounds were orally active in blocking the conditioned avoidance response (CAR) in rats but did not antagonize apomorphine-induced stereotyped behavior. Compound 17 (Wy-47,384), a gamma-carboline with a 3-(3-pyridinyl)propyl side chain, was s... aid5286.table aid5286.tbin
5287 1 Title: Antipsychotic activity of substituted gamma-carbolines. Abstract: Several novel substituted gamma-carbolines were synthesized and examined in a series of in vitro and in vivo pharmacological tests to determine potential antipsychotic activity. Most compounds were orally active in blocking the conditioned avoidance response (CAR) in rats but did not antagonize apomorphine-induced stereotyped behavior. Compound 17 (Wy-47,384), a gamma-carboline with a 3-(3-pyridinyl)propyl side chain, was s... aid5287.table aid5287.tbin
5288 8 Title: 18F-labeled benzamides for studying the dopamine D2 receptor with positron emission tomography. Abstract: Two series of (N-benzylpiperidin-4-yl)- and (9-azabicyclo[3.3.1]nonan- 3 beta-yl)benzamides were prepared, and in vitro binding assays were used to measure the affinity of these compounds for dopamine D2, dopamine D3, serotonin 5-HT2, and alpha 2-adrenergic receptors. The results of these studies indicated compounds 23, 26b, and 34 have the selectivity needed for in vivo studies of th... aid5288.table aid5288.tbin
5289 8 Title: Examination of the D2/5-HT2 affinity ratios of resolved 5,6,7,8,9,10-hexahydro-7,10-iminocyclohept[b]indoles: an enantioselective approach toward the design of potential atypical antipsychotics. Abstract: Enantiomers of several N-substituted 5,6,7,8,9,10-hexahydro-7,10-iminocyclohept[b]indoles were obtained by the resolution of 2-fluoro-5,6,7,8,9,10-hexahydro-7,10-iminocyclohept[b]indole and 5,6,7,8,9,10-hexahydro-7,10-iminocyclohept[b]indole followed by N-alkylation. These, as well as th... aid5289.table aid5289.tbin
5290 1 Title: Synthesis and biochemical evaluation of tritium-labeled 1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]oct-3-yl)-1H-indazole-3-carboxa mide, a useful radioligand for 5HT3 receptors. Abstract: The advent of potent, highly selective 5HT3 receptor antagonists has stimulated considerable interest in 5HT3 receptor mediated physiology and pharmacology. To permit detailed biochemical studies regarding interaction of the indazole class of serotonin (5HT) antagonists with 5HT3 receptors in multiple tissu... aid5290.table aid5290.tbin
5291 28 Title: Synthesis and SAR of adatanserin: novel adamantyl aryl- and heteroarylpiperazines with dual serotonin 5-HT(1A) and 5-HT(2) activity as potential anxiolytic and antidepressant agents. Abstract: Several novel functionalized adamantyl aryl- and heteroarylpiperazine derivatives were prepared and examined in various receptor binding and behavioral tests to determine their serotonin receptor activities. Many compounds demonstrated modest to high affinity for 5-HT(1A) receptors, with compounds 9... aid5291.table aid5291.tbin
5292 1 Title: Ketanserin analogues: structure-affinity relationships for 5-HT2 and 5-HT1C serotonin receptor binding. Abstract: Ketanserin is the prototypic 5-HT2 serotonin antagonist; although it has been an important tool for the study of serotonin pharmacology, it has had relatively little impact on drug design because remarkably little is known about its structure-affinity relationships. Furthermore, ketanserin also binds at 5-HT1C receptors and even less is known about the influence of its structu... aid5292.table aid5292.tbin
5293 3 Title: Novel potent sigma 1 ligands: N-[omega-(tetralin-1-yl)alkyl]piperidine derivatives. Abstract: A series of substituted N-[(tetralin-1-yl)alkyl]piperidines and a number of related N-di-n-propyl-[(tetralin-1-yl)alkyl]amines were prepared. Structural modifications such as piperidine substitutions, intermediate chain lengthening, and the nature of the aromatic ring were explored in order to identify structural requirements for selective sigma 1 affinity. They were tested in radioligand binding... aid5293.table aid5293.tbin
5294 6 Title: 2-Phenylpyrroles as conformationally restricted benzamide analogues. A new class of potential antipsychotics. 2. Abstract: A series of 2-phenylpyrrole Mannich bases was synthesized and screened in pharmacological models for antipsychotic activity and extrapyramidal effects. Structure modifications of 5-(4-fluorophenyl)-2-[[4-(2-methoxyphenyl)-1-piperazinyl]methyl]pyrrole (1), the prototype of a new class of sodium-independent atypical dopamine D-2 antagonists, resulted in 2-[[4-(7-benzofu... aid5294.table aid5294.tbin
5295 25 Title: Antagonism of 1-(2,5-dimethoxy-4-methylphenyl)-2-aminopropane stimulus with a newly identified 5-HT2- versus 5-HT1C-selective antagonist. Abstract: DOM [i.e., 1-(2,5-dimethoxy-4-methylphenyl)-2-aminopropane] is a 5-HT1C/2 serotonin agonist that exerts stimulus control of behavior in animals. In order to determine if the discriminative stimulus effect of DOM is 5-HT1C- or 5-HT2-mediated, it would be informative to conduct tests of stimulus antagonism with a 5-HT1C- or 5-HT2-selective antag... aid5295.table aid5295.tbin
5296 2 Title: Synthesis and pharmacological evaluation of thiopyran analogues of the dopamine D3 receptor-selective agonist (4aR,10bR)-(+)-trans-3,4,4a,10b-tetrahydro-4-n-propyl-2H,5H [1]b enzopyrano[4,3-b]-1,4-oxazin-9-ol (PD 128907). Abstract: Benzopyranoxazine (+)-7 (PD 128907) is the most dopamine (DA) D3 receptor-selective agonist presently known. The only structural feature which distinguishes 7 from the analogous nonselective naphthoxazines is an oxygen atom in the 6-position. To extend this ser... aid5296.table aid5296.tbin
5297 3 Title: Synthesis and pharmacological evaluation of thiopyran analogues of the dopamine D3 receptor-selective agonist (4aR,10bR)-(+)-trans-3,4,4a,10b-tetrahydro-4-n-propyl-2H,5H [1]b enzopyrano[4,3-b]-1,4-oxazin-9-ol (PD 128907). Abstract: Benzopyranoxazine (+)-7 (PD 128907) is the most dopamine (DA) D3 receptor-selective agonist presently known. The only structural feature which distinguishes 7 from the analogous nonselective naphthoxazines is an oxygen atom in the 6-position. To extend this ser... aid5297.table aid5297.tbin
5298 1 Title: Synthesis and pharmacological evaluation of thiopyran analogues of the dopamine D3 receptor-selective agonist (4aR,10bR)-(+)-trans-3,4,4a,10b-tetrahydro-4-n-propyl-2H,5H [1]b enzopyrano[4,3-b]-1,4-oxazin-9-ol (PD 128907). Abstract: Benzopyranoxazine (+)-7 (PD 128907) is the most dopamine (DA) D3 receptor-selective agonist presently known. The only structural feature which distinguishes 7 from the analogous nonselective naphthoxazines is an oxygen atom in the 6-position. To extend this ser... aid5298.table aid5298.tbin
5299 13 Title: 5-HT1 and 5-HT2 binding characteristics of 1-(2,5-dimethoxy-4-bromophenyl)-2-aminopropane analogues. Abstract: 1-(2,5-Dimethoxy-4-bromophenyl)-2-aminopropane (DOB; 1a) is a purported serotonin (5-HT) agonist that binds selectively to central 5-HT2 binding sites. Systematic removal of any or all of the aromatic substituents had relatively little effect on 5-HT1 binding but reduced 5-HT2 binding by approximately 2 or more orders of magnitude. Demethylation of the 2-methoxy group of 1a, or i... aid5299.table aid5299.tbin
5300 28 Binding affinity to 5-hydroxytryptamine 2 receptor using [3H]ketanserin radioligand assay. aid5300.table aid5300.tbin
5301 1 Tested for its binding affinity to Tested for its binding affinity to 5-hydroxytryptamine 2 receptor using [3H]-ketanserin radioligand assay using [3H]-ketanserin radioligand assay aid5301.table aid5301.tbin
5302 6 Title: SC-53116: the first selective agonist at the newly identified serotonin 5-HT4 receptor subtype. aid5302.table aid5302.tbin
5303 1 Title: Pyrrole mannich bases as potential antipsychotic agents. Abstract: Recently, we reported on a series of arylpiperazines 4 which exhibit high affinity for the serotonin 5-HT-1A and 5-HT-1B binding sites. Although these compounds interact weakly with dopamine D-1 and D-2 receptors, they are reasonably potent in inhibiting conditioned avoidance responding (CAR) in the rat, an indication of potential antipsychotic activity. Conversion of these arylpiperazines to pyrrole Mannich bases has prov... aid5303.table aid5303.tbin
5304 2 Title: Development of high-affinity 5-HT3 receptor antagonists. Structure-affinity relationships of novel 1,7-annelated indole derivatives. Abstract: On the basis of the structures of ondansetron and GR 65,630, its ring-opened C-linked methylimidazole analogue, novel 1,7-annelated indole derivatives were synthesized as potential 5-HT3 antagonists. Receptor binding studies show that all compounds display a high affinity for the 5-HT3 receptors. In both series annelation results in compounds being... aid5304.table aid5304.tbin
5305 20 Title: N-[1-(2-Phenylethyl)pyrrolidin-3-yl]-1-adamantanecarboxamides as novel 5-HT2 receptor antagonists. Abstract: A series of 1-adamantanecarboxamides was synthesized and examined for their potency as a selective 5-HT2 receptor antagonist. We found (S)-N-[1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-1-adamantane carboxamide hydrochloride hydrate (10-(S), Y-39241) to have a high affinity and selectivity for 5-HT2 receptors, and this potent anti-platelet effect of Y-39241 was confirmed both in vi... aid5305.table aid5305.tbin
5306 1 Title: A new arylpiperazine antipsychotic with high D2/D3/5-HT1A/alpha 1A-adrenergic affinity and a low potential for extrapyramidal effects. aid5306.table aid5306.tbin
5307 30 Title: Pyrrole mannich bases as potential antipsychotic agents. Abstract: Recently, we reported on a series of arylpiperazines 4 which exhibit high affinity for the serotonin 5-HT-1A and 5-HT-1B binding sites. Although these compounds interact weakly with dopamine D-1 and D-2 receptors, they are reasonably potent in inhibiting conditioned avoidance responding (CAR) in the rat, an indication of potential antipsychotic activity. Conversion of these arylpiperazines to pyrrole Mannich bases has prov... aid5307.table aid5307.tbin
5308 21 Title: Effect of N-alkylation on the affinities of analogues of spiperone for dopamine D2 and serotonin 5-HT2 receptors. Abstract: Two series of N-substituted spiperone analogues were prepared and evaluated in vitro to measure their affinities for dopamine D2 and serotonin 5-HT2 receptors. Substitution of the amide nitrogen with an alkyl group of five carbon units or less resulted in analogues displaying a low selectivity for D2 compared to 5-HT2 receptors. However, a moderate improvement in sel... aid5308.table aid5308.tbin
5309 6 Title: Novel potent sigma 1 ligands: N-[omega-(tetralin-1-yl)alkyl]piperidine derivatives. Abstract: A series of substituted N-[(tetralin-1-yl)alkyl]piperidines and a number of related N-di-n-propyl-[(tetralin-1-yl)alkyl]amines were prepared. Structural modifications such as piperidine substitutions, intermediate chain lengthening, and the nature of the aromatic ring were explored in order to identify structural requirements for selective sigma 1 affinity. They were tested in radioligand binding... aid5309.table aid5309.tbin
5310 2 Title: Syntheses and 5-HT2 antagonist activity of bicyclic 1,2,4-triazol-3(2H)-one and 1,3,5-triazine-2,4(3H)-dione derivatives. Abstract: A series of bicyclic 1,2,4-triazol-3(2H)-one and 1,3,5-triazine-2,4(3H)-dione derivatives with a 4-[bis(4-fluoro-phenyl)methylene]piperidine or 4-(4-fluorobenzoyl)piperidine group has been prepared and tested for 5-HT2 and alpha 1 receptor antagonist activity. Among the compounds prepared, 2-[2-[4-[bis(4-fluorophenyl)methylene]-piperidin-1-yl]ethyl]- 5,6,7,8-... aid5310.table aid5310.tbin
5311 1 Title: Syntheses and 5-HT2 antagonist activity of bicyclic 1,2,4-triazol-3(2H)-one and 1,3,5-triazine-2,4(3H)-dione derivatives. Abstract: A series of bicyclic 1,2,4-triazol-3(2H)-one and 1,3,5-triazine-2,4(3H)-dione derivatives with a 4-[bis(4-fluoro-phenyl)methylene]piperidine or 4-(4-fluorobenzoyl)piperidine group has been prepared and tested for 5-HT2 and alpha 1 receptor antagonist activity. Among the compounds prepared, 2-[2-[4-[bis(4-fluorophenyl)methylene]-piperidin-1-yl]ethyl]- 5,6,7,8-... aid5311.table aid5311.tbin
5312 27 Title: Syntheses and 5-HT2 antagonist activity of bicyclic 1,2,4-triazol-3(2H)-one and 1,3,5-triazine-2,4(3H)-dione derivatives. Abstract: A series of bicyclic 1,2,4-triazol-3(2H)-one and 1,3,5-triazine-2,4(3H)-dione derivatives with a 4-[bis(4-fluoro-phenyl)methylene]piperidine or 4-(4-fluorobenzoyl)piperidine group has been prepared and tested for 5-HT2 and alpha 1 receptor antagonist activity. Among the compounds prepared, 2-[2-[4-[bis(4-fluorophenyl)methylene]-piperidin-1-yl]ethyl]- 5,6,7,8-... aid5312.table aid5312.tbin
5313 3 Title: Syntheses and 5-HT2 antagonist activity of bicyclic 1,2,4-triazol-3(2H)-one and 1,3,5-triazine-2,4(3H)-dione derivatives. Abstract: A series of bicyclic 1,2,4-triazol-3(2H)-one and 1,3,5-triazine-2,4(3H)-dione derivatives with a 4-[bis(4-fluoro-phenyl)methylene]piperidine or 4-(4-fluorobenzoyl)piperidine group has been prepared and tested for 5-HT2 and alpha 1 receptor antagonist activity. Among the compounds prepared, 2-[2-[4-[bis(4-fluorophenyl)methylene]-piperidin-1-yl]ethyl]- 5,6,7,8-... aid5313.table aid5313.tbin
5314 3 Title: Syntheses and 5-HT2 antagonist activity of bicyclic 1,2,4-triazol-3(2H)-one and 1,3,5-triazine-2,4(3H)-dione derivatives. Abstract: A series of bicyclic 1,2,4-triazol-3(2H)-one and 1,3,5-triazine-2,4(3H)-dione derivatives with a 4-[bis(4-fluoro-phenyl)methylene]piperidine or 4-(4-fluorobenzoyl)piperidine group has been prepared and tested for 5-HT2 and alpha 1 receptor antagonist activity. Among the compounds prepared, 2-[2-[4-[bis(4-fluorophenyl)methylene]-piperidin-1-yl]ethyl]- 5,6,7,8-... aid5314.table aid5314.tbin
5315 3 Title: Syntheses and 5-HT2 antagonist activity of bicyclic 1,2,4-triazol-3(2H)-one and 1,3,5-triazine-2,4(3H)-dione derivatives. Abstract: A series of bicyclic 1,2,4-triazol-3(2H)-one and 1,3,5-triazine-2,4(3H)-dione derivatives with a 4-[bis(4-fluoro-phenyl)methylene]piperidine or 4-(4-fluorobenzoyl)piperidine group has been prepared and tested for 5-HT2 and alpha 1 receptor antagonist activity. Among the compounds prepared, 2-[2-[4-[bis(4-fluorophenyl)methylene]-piperidin-1-yl]ethyl]- 5,6,7,8-... aid5315.table aid5315.tbin
5316 17 Title: Application of similarity matrices and genetic neural networks in quantitative structure-activity relationships of 2- or 4-(4-Methylpiperazino)pyrimidines: 5-HT(2A) receptor antagonists. Abstract: Antagonists of the 5-HT(2A) receptor are being used to treat many psychiatric disorders. The present work focuses on a group of 27 antagonists possessing varying affinities toward the receptor. These are 26 title compounds and clozapine as a reference antagonist. The active conformers of the con... aid5316.table aid5316.tbin
5317 10 Title: Application of similarity matrices and genetic neural networks in quantitative structure-activity relationships of 2- or 4-(4-Methylpiperazino)pyrimidines: 5-HT(2A) receptor antagonists. Abstract: Antagonists of the 5-HT(2A) receptor are being used to treat many psychiatric disorders. The present work focuses on a group of 27 antagonists possessing varying affinities toward the receptor. These are 26 title compounds and clozapine as a reference antagonist. The active conformers of the con... aid5317.table aid5317.tbin
5318 1 Title: A novel series of 2,5-substituted tryptamine derivatives as vascular 5HT1B/1D receptor antagonists. Abstract: The design, synthesis, and activity of a novel series of 2,5-substituted tryptamine derivatives at vascular 5HT1B-like receptors is described. Several important auxiliary binding sites of the 5HT1B-like receptor have been proposed following various modifications to the 2-substituent and especially to the methylene- or ethylene-linked 5-side chain. Careful design of new molecules b... aid5318.table aid5318.tbin
5319 1 Title: Discovery and SAR of org 24598-a selective glycine uptake inhibitor. Abstract: The discovery of Org 24598, one of the first potent and selective inhibitors of the glycine transporter is discussed. In vitro structure-activity relationships (SARs) data for interaction of a ligand with this system is discussed. aid5319.table aid5319.tbin
5320 13 Title: Synthesis, biological activity, and molecular modeling of selective 5-HT(2C/2B) receptor antagonists. Abstract: The synthesis and biological activity are reported for a series of analogues of the previously published indole urea 2 (SB-206553), designed to probe the 5-HT(2C) receptor binding site. Small molecule modeling studies have been used to define a region in space which is allowed at the 5-HT(2C) receptor but disallowed at the 5-HT(2A) receptor. In a complementary approach, docking ... aid5320.table aid5320.tbin
5321 9 Title: New arylpiperazine derivatives with high affinity for alpha1A, D2 and 5-HT2A receptors. Abstract: A series of novel long-chain arylpiperazines bearing a coumarin fragment was synthesized and the compounds were evaluated for their affinity at alpha(1), D(2 )and 5-HT(2A) receptors. Most of the new compounds showed high affinity for the three types of receptors alpha(1A), D(2) and 5-HT(2A) which depends, fundamentally, on the substitution of the N(4) of the piperazine ring. From the series e... aid5321.table aid5321.tbin
5322 17 Title: New 2-piperazinylbenzimidazole derivatives as 5-HT3 antagonists. Synthesis and pharmacological evaluation. Abstract: A series of 2-piperazinylbenzimidazole derivatives were prepared and evaluated as 5-HT3 receptor antagonists. Their 5-HT3 receptor affinities were evaluated by radioligand binding assays, and their abilities to inhibit the 5-HT-induced Bezold-Jarisch reflex in anesthetized rats were determined. Compound 7e (lerisetron, pKi = 9.2) exhibited higher affinity for the 5-HT3 rece... aid5322.table aid5322.tbin
5323 2 Title: Conformationally constrained butyrophenones with affinity for dopamine (D(1), D(2), D(4)) and serotonin (5-HT(2A), 5-HT(2B), 5-HT(2C)) receptors: synthesis of aminomethylbenzo[b]furanones and their evaluation as antipsychotics. Abstract: A series of novel conformationally restricted butyrophenones (6-aminomethyl-4,5,6,7-tetrahydrobenzo[b]furan-4-ones bearing 4-(6-fluorobenzisoxazolyl)piperidine, 4-(p-fluorobenzoyl)piperidine, 4-(o-methoxyphenyl)piperazine, 4-(2-pyridyl)piperazine, 4-(2-py... aid5323.table aid5323.tbin
5324 9 Title: Conformationally constrained butyrophenones with affinity for dopamine (D(1), D(2), D(4)) and serotonin (5-HT(2A), 5-HT(2B), 5-HT(2C)) receptors: synthesis of aminomethylbenzo[b]furanones and their evaluation as antipsychotics. Abstract: A series of novel conformationally restricted butyrophenones (6-aminomethyl-4,5,6,7-tetrahydrobenzo[b]furan-4-ones bearing 4-(6-fluorobenzisoxazolyl)piperidine, 4-(p-fluorobenzoyl)piperidine, 4-(o-methoxyphenyl)piperazine, 4-(2-pyridyl)piperazine, 4-(2-py... aid5324.table aid5324.tbin
5325 2 Title: Conformationally constrained butyrophenones with mixed dopaminergic (D(2)) and serotoninergic (5-HT(2A), 5-HT(2C)) affinities: synthesis, pharmacology, 3D-QSAR, and molecular modeling of (aminoalkyl)benzo- and -thienocycloalkanones as putative atypical antipsychotics. Abstract: A series of novel conformationally restricted butyrophenones (2-(aminoethyl)- and 3-(aminomethyl)thieno- or benzocycloalkanones bearing (6-fluorobenzisoxazolyl)piperidine, (p-fluorobenzoyl)piperidine, (o-methoxyphe... aid5325.table aid5325.tbin
5326 21 Title: Pyrrolo[1,3]benzothiazepine-based atypical antipsychotic agents. Synthesis, structure-activity relationship, molecular modeling, and biological studies. Abstract: The prototypical dopamine and serotonin antagonist (+/-)-7-chloro-9-(4-methylpiperazin-1-yl)-9,10-dihydropyrrolo[2,1-b][1,3]benzothiazepine (5) was resolved into its R and S enantiomers via crystallization of the diastereomeric tartaric acid salts. Binding studies confirmed that the (R)-(-)-enantiomer is a more potent D(2) recep... aid5326.table aid5326.tbin
5327 1 Title: Pyrrolo[1,3]benzothiazepine-based atypical antipsychotic agents. Synthesis, structure-activity relationship, molecular modeling, and biological studies. Abstract: The prototypical dopamine and serotonin antagonist (+/-)-7-chloro-9-(4-methylpiperazin-1-yl)-9,10-dihydropyrrolo[2,1-b][1,3]benzothiazepine (5) was resolved into its R and S enantiomers via crystallization of the diastereomeric tartaric acid salts. Binding studies confirmed that the (R)-(-)-enantiomer is a more potent D(2) recep... aid5327.table aid5327.tbin
5328 12 Title: 3-Benzisothiazolylpiperazine derivatives as potential atypical antipsychotic agents. Abstract: A series of substituted phenethyl derivatives of 3-benzisothiazolylpiperazine incorporating potent D2 and 5-HT2A antagonist activity was investigated as an approach to a novel atypical antipsychotic agent. The in vitro profile of 8e from this series is a combination of D2 receptor affinity comparable to the typical antipsychotic agent haloperidol and a 5-HT2A/D2 ratio comparable to the atypical ... aid5328.table aid5328.tbin
5329 4 Inhibition constant for in vitro inhibition of [3H]ketanserin binding to rat frontal cortex membranes 5-hydroxytryptamine 2A receptor aid5329.table aid5329.tbin
5330 6 Title: Synthesis and atypical antipsychotic profile of some 2-(2-piperidinoethyl)benzocycloalkanones as analogues of butyrophenone. Abstract: Four new 2-(2-piperidinoethyl)benzocycloalkanone derivatives, 20-23, were prepared and evaluated as potential antipsychotic agents in receptor binding assays for dopamine (DA) and 5-HT2A receptors and in functional and behavioral screens. Their affinities for D2 receptors (Ki's in the nanomolar range: 46.7-70.7) and D1 receptors (Ki's in the micromolar ran... aid5330.table aid5330.tbin
5331 56 Title: New serotonin 5-HT(2A), 5-HT(2B), and 5-HT(2C) receptor antagonists: synthesis, pharmacology, 3D-QSAR, and molecular modeling of (aminoalkyl)benzo and heterocycloalkanones. Abstract: A series of 52 conformationally constrained butyrophenones have been synthesized and pharmacologically tested as antagonists at 5-HT(2A), 5-HT(2B), and 5-HT(2C) serotonin receptors, useful for dissecting the role of each 5-HT(2) subtype in pathophysiology. These compounds were also a consistent set for the id... aid5331.table aid5331.tbin
5332 1 Title: New serotonin 5-HT(2A), 5-HT(2B), and 5-HT(2C) receptor antagonists: synthesis, pharmacology, 3D-QSAR, and molecular modeling of (aminoalkyl)benzo and heterocycloalkanones. Abstract: A series of 52 conformationally constrained butyrophenones have been synthesized and pharmacologically tested as antagonists at 5-HT(2A), 5-HT(2B), and 5-HT(2C) serotonin receptors, useful for dissecting the role of each 5-HT(2) subtype in pathophysiology. These compounds were also a consistent set for the id... aid5332.table aid5332.tbin
5333 25 Title: GRid-INdependent descriptors (GRIND): a novel class of alignment-independent three-dimensional molecular descriptors. Abstract: Traditional methods for performing 3D-QSAR rely upon an alignment step that is often time-consuming and can introduce user bias, the resultant model being dependent upon and sensitive to the alignment used. There are several methods which overcome this problem, but in general the necessary transformations prevent a simple interpretation of the resultant models in... aid5333.table aid5333.tbin
5334 1 Title: GRid-INdependent descriptors (GRIND): a novel class of alignment-independent three-dimensional molecular descriptors. Abstract: Traditional methods for performing 3D-QSAR rely upon an alignment step that is often time-consuming and can introduce user bias, the resultant model being dependent upon and sensitive to the alignment used. There are several methods which overcome this problem, but in general the necessary transformations prevent a simple interpretation of the resultant models in... aid5334.table aid5334.tbin
5335 7 Tested in vitro for its ability to inhibit [3H]ketanserin binding to 5-hydroxytryptamine 2A receptor in rat frontal cortex membranes aid5335.table aid5335.tbin
5336 5 Title: Structure-activity relationships in 1,4-benzodioxan-related compounds. 6. Role of the dioxane unit on selectivity for alpha(1)-adrenoreceptor subtypes. Abstract: WB 4101-related benzodioxans 3-9 were synthesized, and their biological profiles at alpha(1)-adrenoreceptor subtypes and 5-HT(1A) serotoninergic receptors were assessed by binding assays in CHO and HeLa cells membranes expressing the human cloned receptors. Furthermore, receptor selectivity of selected benzodioxan derivatives was... aid5336.table aid5336.tbin
5337 26 Title: Conformationally constrained butyrophenones with mixed dopaminergic (D(2)) and serotoninergic (5-HT(2A), 5-HT(2C)) affinities: synthesis, pharmacology, 3D-QSAR, and molecular modeling of (aminoalkyl)benzo- and -thienocycloalkanones as putative atypical antipsychotics. Abstract: A series of novel conformationally restricted butyrophenones (2-(aminoethyl)- and 3-(aminomethyl)thieno- or benzocycloalkanones bearing (6-fluorobenzisoxazolyl)piperidine, (p-fluorobenzoyl)piperidine, (o-methoxyphe... aid5337.table aid5337.tbin
5338 4 Title: The serotonin 5-HT4 receptor. 2. Structure-activity studies of the indole carbazimidamide class of agonists. Abstract: A number of substituted indole carbazimidamides were prepared and evaluated as 5-HT4 receptor agonists by using the isolated field-stimulated guinea pig ileum preparation. Their selectivity for the 5-HT4 receptor was established by examining their affinity for other 5-HT receptors using radioligand-binding techniques. Several selective and highly potent full as well as pa... aid5338.table aid5338.tbin
5339 1 Title: The serotonin 5-HT4 receptor. 2. Structure-activity studies of the indole carbazimidamide class of agonists. Abstract: A number of substituted indole carbazimidamides were prepared and evaluated as 5-HT4 receptor agonists by using the isolated field-stimulated guinea pig ileum preparation. Their selectivity for the 5-HT4 receptor was established by examining their affinity for other 5-HT receptors using radioligand-binding techniques. Several selective and highly potent full as well as pa... aid5339.table aid5339.tbin
5340 1 Title: The serotonin 5-HT4 receptor. 2. Structure-activity studies of the indole carbazimidamide class of agonists. Abstract: A number of substituted indole carbazimidamides were prepared and evaluated as 5-HT4 receptor agonists by using the isolated field-stimulated guinea pig ileum preparation. Their selectivity for the 5-HT4 receptor was established by examining their affinity for other 5-HT receptors using radioligand-binding techniques. Several selective and highly potent full as well as pa... aid5340.table aid5340.tbin
5341 2 Title: Pyrroloquinoxaline derivatives as high-affinity and selective 5-HT(3) receptor agonists: synthesis, further structure-activity relationships, and biological studies. Abstract: The synthesis, pharmacological evaluation, and structure-activity relationships (SARs) of a series of novel pyrroloquinoxalines and heteroaromatic-related derivatives are described. The new pyrroloquinoxaline-related ligands were tested in rat cortex, a tissue expressing high density of 5-HT(3) receptors, and on NG1... aid5341.table aid5341.tbin
5342 7 Title: Pyrroloquinoxaline derivatives as high-affinity and selective 5-HT(3) receptor agonists: synthesis, further structure-activity relationships, and biological studies. Abstract: The synthesis, pharmacological evaluation, and structure-activity relationships (SARs) of a series of novel pyrroloquinoxalines and heteroaromatic-related derivatives are described. The new pyrroloquinoxaline-related ligands were tested in rat cortex, a tissue expressing high density of 5-HT(3) receptors, and on NG1... aid5342.table aid5342.tbin
5343 1 Title: Combinatorial synthesis of 3-(amidoalkyl) and 3-(aminoalkyl)-2-arylindole derivatives: discovery of potent ligands for a variety of G-protein coupled receptors. Abstract: Preparation and screening of mixture libraries based on a 2-arylindole scaffold resulted in the discovery of potent ligands for a variety of G-protein coupled receptors. aid5343.table aid5343.tbin
5344 1 Title: Discovery of N-propylurea 3-benzylpiperidines as selective CC chemokine receptor-3 (CCR3) antagonists. Abstract: The discovery of novel and selective small molecule antagonists of the CC Chemokine Receptor-3 (CCR3) is presented. Simple conversion from a 4- to 3-benzylpiperidine gave improved selectivity for CCR3 over the serotonin 5HT(2A) receptor. Chiral resolution and exploration of mono- and disubstitution of the N-propylurea resulted in several 3-benzylpiperidine N-propylureas with CC... aid5344.table aid5344.tbin
5345 1 Title: Synthesis and evaluation of 5-HT(2A) and 5-HT(2C) receptor binding affinities of novel pyrimidine derivatives. Abstract: In an effort to find potential anxiolytic and/or antipsychotic agents with selective 5-HT(2C) affinity a series of new pyrimidine derivatives was prepared and the binding affinities for 5-HT(2A) and 5-HT(2C) receptors were determined. aid5345.table aid5345.tbin
5346 3 Title: Synthesis and evaluation of 5-HT(2A) and 5-HT(2C) receptor binding affinities of novel pyrimidine derivatives. Abstract: In an effort to find potential anxiolytic and/or antipsychotic agents with selective 5-HT(2C) affinity a series of new pyrimidine derivatives was prepared and the binding affinities for 5-HT(2A) and 5-HT(2C) receptors were determined. aid5346.table aid5346.tbin
5347 1 Title: Design, synthesis and biological activity of novel dimethyl-[2-[6-substituted-indol-1-yl]-ethyl]-amine as potent, selective, and orally-bioavailable 5-HT(1D) agonists. Abstract: A novel series of highly potent human 5-HT(1D) agonists, dimethyl-[2-[6-substituted-indol-1-yl]-ethyl]-amine, was synthesized. Structure-activity relationship (SAR) investigation revealed 4-[1-(2-dimethylamino-ethyl)-1H-indol-6-yl]-tetrahydro-thiopyran-4-ol, 11b (ALX-2732), as a potent (K(i)=2.4 nM) agonist at the... aid5347.table aid5347.tbin
5348 8 Title: Synthesis and biological activities of (R)-5,6-dihydro-N,N-dimethyl-4H-imidazo[4,5,1-ij]quinolin-5-amine and its metabolites. Abstract: The imidazoquinoline (R)-5,6-Dihydro-N,N-dimethyl-4H-imidazo[4,5,1-ij]quinolin-5-amine [(R)-3] is a potent dopamine agonist when tested in animals but surprisingly shows very low affinity in in vitro binding assays. When incubated with mouse or monkey liver S9 microsomes, (R)-3 is metabolized by N-demethylation and oxidation to (R)-5,6-dihydro-5-(methylam... aid5348.table aid5348.tbin
5349 1 Title: 1-(Bicyclopiperazinyl)ethylindoles and 1-(homopiperazinyl)ethyl-indoles as highly selective and potent 5-HT(7) receptor ligands. Abstract: A novel series of 1-(bicyclopiperazinyl)ethylindole and 1-(homopiperazinyl)ethyl-indole derivatives was synthesized and found to be potent and selective 5-HT(7) receptor ligands. aid5349.table aid5349.tbin
5350 1 Title: Higher-end serotonin receptors: 5-HT(5), 5-HT(6), and 5-HT(7). aid5350.table aid5350.tbin
5351 1 Title: N-phenylphenylglycines as novel corticotropin releasing factor receptor antagonists. Abstract: Screening of a computationally designed synthetic library led to the discovery of the N-phenylphenylglycines (NPPGs) as a novel class of human corticotropin releasing factor (h-CRF(1)) antagonists. Several NPPGs with greater potency than the original hit 1 were rapidly identified, and resolution of the racemate demonstrated that only the R-enantiomer displays activity. This structural class repr... aid5351.table aid5351.tbin
5352 12 Title: Discovery of N-propylurea 3-benzylpiperidines as selective CC chemokine receptor-3 (CCR3) antagonists. Abstract: The discovery of novel and selective small molecule antagonists of the CC Chemokine Receptor-3 (CCR3) is presented. Simple conversion from a 4- to 3-benzylpiperidine gave improved selectivity for CCR3 over the serotonin 5HT(2A) receptor. Chiral resolution and exploration of mono- and disubstitution of the N-propylurea resulted in several 3-benzylpiperidine N-propylureas with CC... aid5352.table aid5352.tbin
5353 14 Title: Synthesis and evaluation of 5-HT(2A) and 5-HT(2C) receptor binding affinities of novel pyrimidine derivatives. Abstract: In an effort to find potential anxiolytic and/or antipsychotic agents with selective 5-HT(2C) affinity a series of new pyrimidine derivatives was prepared and the binding affinities for 5-HT(2A) and 5-HT(2C) receptors were determined. aid5353.table aid5353.tbin
5354 19 Title: Geometry-affinity relationships of the selective serotonin receptor ligand 9-(aminomethyl)-9,10-dihydroanthracene. Abstract: With the exception of its two aromatic rings and basic nitrogen atom, 9-(aminomethyl)-9,10-dihydroanthracene (AMDA; 1) is remarkably devoid of the pharmacophore features usually associated with high-affinity receptor ligands such as the heteroatom hydrogen bonding features of the endogenous ligand serotonin. AMDA does contain a phenylethylamine skeleton within a tri... aid5354.table aid5354.tbin
5355 11 Title: Structural determinants for high 5-HT(2A) receptor affinity of spiro[9,10-dihydroanthracene]-9,3(')-pyrrolidine (SpAMDA). Abstract: The synthesis and 5-HT(2A) receptor affinities of ring altered derivatives of spiro[9,10-dihydroanthracene]-9,3(')-pyrrolidine (4), a structurally unique tetracyclic 5-HT(2A) receptor antagonist, are described. The characteristics of the parent compound prove to be necessary for optimal 5-HT(2A) receptor affinity. However, expansion of the size of the pyrroli... aid5355.table aid5355.tbin
5356 33 Title: Novel, highly potent, selective 5-HT2A/D2 receptor antagonists as potential atypical antipsychotics. Abstract: The discovery of N-substituted-pyridoindolines and their binding affinities at the 5-HT(2A), 5-HT(2C) and D(2) receptors, and in vivo efficacy as 5-HT(2A) antagonists is described. The structure-activity relationship of a series of core tetracyclic derivatives with varying butyrophenone sidechains is also discussed. This study has led to the identification of potent, orally bioav... aid5356.table aid5356.tbin
5357 1 Title: Multistep solution-phase parallel synthesis of spiperone analogues. Abstract: A flexible, multistep parallel synthesis of spiperone analogues is described. A library of 4-substituted piperidines, assembled utilizing reductive amination and acylation protocols, was alkylated either homogeneously or heterogeneously, exploiting a product release only concept, to afford an oxa-series of spiperone analogues. Screening of the products at 5-HT2 and D2 receptors revealed 5-HT2A antagonists with i... aid5357.table aid5357.tbin
5358 2 Title: Conformationally restricted indolopiperidine derivatives as potent CCR2B receptor antagonists. Abstract: The preparation and biological evaluation of a series of indolopiperidine CCR2B receptor antagonists possessing a conformationally restricted C-5 linker chain in combination with a restricted piperidine ring are described. Compared to the parent compound 1, analogue 8 shows a dramatic improvement in selectivity against a range of 5-HT and dopaminergic receptors. aid5358.table aid5358.tbin
5359 1 Title: Conformationally restricted indolopiperidine derivatives as potent CCR2B receptor antagonists. Abstract: The preparation and biological evaluation of a series of indolopiperidine CCR2B receptor antagonists possessing a conformationally restricted C-5 linker chain in combination with a restricted piperidine ring are described. Compared to the parent compound 1, analogue 8 shows a dramatic improvement in selectivity against a range of 5-HT and dopaminergic receptors. aid5359.table aid5359.tbin
5360 3 Title: Multistep solution-phase parallel synthesis of spiperone analogues. Abstract: A flexible, multistep parallel synthesis of spiperone analogues is described. A library of 4-substituted piperidines, assembled utilizing reductive amination and acylation protocols, was alkylated either homogeneously or heterogeneously, exploiting a product release only concept, to afford an oxa-series of spiperone analogues. Screening of the products at 5-HT2 and D2 receptors revealed 5-HT2A antagonists with i... aid5360.table aid5360.tbin
5361 9 Binding affinity towards 5-hydroxytryptamine 2A receptor by displacement of [3H]ketanserin aid5361.table aid5361.tbin
5362 2 Title: Conformationally restricted indolopiperidine derivatives as potent CCR2B receptor antagonists. Abstract: The preparation and biological evaluation of a series of indolopiperidine CCR2B receptor antagonists possessing a conformationally restricted C-5 linker chain in combination with a restricted piperidine ring are described. Compared to the parent compound 1, analogue 8 shows a dramatic improvement in selectivity against a range of 5-HT and dopaminergic receptors. aid5362.table aid5362.tbin
5363 15 Title: Chemoenzymatic synthesis and binding affinity of novel (R)- and (S)-3-aminomethyl-1-tetralones, potential atypical antipsychotics. Abstract: A series of (R)- and (S)-3-aminomethyl-1-tetralones, conformationally constrained analogues of haloperidol, have been obtained by enzymatic resolution of the corresponding racemic 3-hydroxymethyl-1-tetralones using Pseudomonas fluorescens lipase. Their binding affinities at dopamine D(2) and serotonin 5-HT(2A) and 5-HT(2C) receptors were determined s... aid5363.table aid5363.tbin
5364 1 Title: Design and synthesis of novel 2,3-dihydro-1H-isoindoles with high affinity and selectivity for the dopamine D3 receptor. Abstract: Starting from the tetrahydroisoquinoline SB-277011 1, a novel series of 5-substituted-2,3-dihydro-1H-isoindoles has been designed. Subsequent optimisation resulted in identification of 19, which has high affinity for the dopamine D3 receptor (pKi 8.3) and &gt; or = 100-fold selectivity over other aminergic receptors. In rat studies 19 was brain penetrant with ... aid5364.table aid5364.tbin
5365 1 Title: New benzo[h][1,6]naphthyridine and azepino[3,2-c]quinoline derivatives as selective antagonists of 5-HT4 receptors: binding profile and pharmacological characterization. Abstract: A series of benzo[h][1,6]naphthyridine and azepino[3,2-c]quinoline derivatives were prepared and evaluated to determine the necessary requirements for high affinity on the 5-HT(4) receptors and high selectivity versus other receptors. The compounds were synthesized by substituting the chlorine atom of benzonapht... aid5365.table aid5365.tbin
5366 2 Title: Selective, orally active 5-HT1D receptor agonists as potential antimigraine agents. aid5366.table aid5366.tbin
5367 1 Title: Synthesis, SAR and pharmacology of CP-293,019: a potent, selective dopamine D4 receptor antagonist. Abstract: A series of novel, potent and selective pyrido[1,2-a]pyrazine dopamine D4 receptor antagonists are reported including CP-293,019 (D4 Ki = 3.4 nM, D2 Ki &gt; 3,310 nM), which also inhibits apomorphine-induced hyperlocomotion in rats after oral dosing. aid5367.table aid5367.tbin
5368 3 Title: Novel spiropiperidines as highly potent and subtype selective sigma-receptor ligands. Part 1. Abstract: A series of spiro[[2]benzopyran-1,4'-piperidines] and spiro[[2]benzofuran-1,4'-piperidines] of general structure 10 is prepared, and the affinity for sigma(1)- and sigma(2)-receptors is investigated by means of radioligand binding assays. The synthesis of the spiropiperidines 14a and 23 proceeds from bromine/lithium exchange of the bromoacetals 11 and 21, addition to piperidin-4-one 12a... aid5368.table aid5368.tbin
5369 1 Title: Substituted [(4-phenylpiperazinyl)-methyl]benzamides: selective dopamine D4 agonists. aid5369.table aid5369.tbin
5370 1 Title: Understanding the structure-activity relationship of the human ether-a-go-go-related gene cardiac K+ channel. A model for bad behavior. aid5370.table aid5370.tbin
5371 1 Title: Synthesis and structure-activity relationships of a new model of arylpiperazines. 5. Study of the physicochemical influence of the pharmacophore on 5-HT(1a)/alpha(1)-adrenergic receptor affinity: synthesis of a new derivative with mixed 5-HT(1a)/d(2) antagonist properties. Abstract: In this paper we have designed and synthesized a test series of 32 amide arylpiperazine derivatives VI in order to gain insight into the physicochemical influence of the pharmacophores of 5-HT(1A) and alpha(1)... aid5371.table aid5371.tbin
5372 1 Title: Homoazanicotine: a structure-affinity study for nicotinic acetylcholine (nACh) receptor binding. Abstract: We have recently identified 3-[(1-methyl)-4,5-dihydro-1H-imidazol-2-yl)methyl]pyridine (homoazanicotine, 8) as a novel nicotinic acetylcholinergic (nACh) receptor ligand. In the present investigation, after we determined that 8 binds selectively at nicotinic (K(i) = 7.8 nM) vs muscarinic (K(i) &gt; 10,000 nM) acetylcholinergic receptors, we examined its structure-affinity relationshi... aid5372.table aid5372.tbin
5373 1 Title: 8-acenaphthen-1-yl-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one derivatives as orphanin FQ receptor agonists. Abstract: A series of 8-acenaphthen-1-yl-1-phenyl-1,3,8-triaza-spiro[4.5]decan+ ++-4-one derivatives 1 was studied with respect to the binding affinity for the orphanin FQ (OFQ) and opioid (mu, kappa, delta) receptors. The influence of stereochemistry as well as the substitution pattern of the phenyl-ring in position 1 on the affinity for the orphanin FQ receptor and selectivity to... aid5373.table aid5373.tbin
5374 2 Binding affinity against 5-Hydroxytryptamine 2A receptor aid5374.table aid5374.tbin
5375 1 Compound was evaluated for binding affinity against 5-hydroxytryptamine 2A receptor using radioligand binding assay aid5375.table aid5375.tbin
5376 1 Title: (1-Butyl-4-piperidinyl)methyl 8-amino-7-chloro-1,4-benzodioxane-5-carboxylate hydrochloride: a highly potent and selective 5-HT4 receptor antagonist derived from metoclopramide. aid5376.table aid5376.tbin
5377 1 Title: 1-(2,5-Dimethoxy-4-(trifluoromethyl)phenyl)-2-aminopropane: a potent serotonin 5-HT2A/2C agonist. Abstract: A method was found to synthesize 1-(2,5-dimethoxy-4-(trifluoromethyl) phenyl)-2-aminopropane, 5, and its des-alpha-methyl congener 2-(2,5-dimethoxy-4-(trifluoromethyl)phenyl)aminoethane, 6, the trifluoromethyl analogs of substituted hallucinogenic phenethylamine derivatives such as 1-(2,5-dimethoxy-4-iodophenyl)-2-aminopropane (3, DOI) that are potent 5-HT2A/2C agonists. In our hand... aid5377.table aid5377.tbin
5378 1 Title: 1-(2,5-Dimethoxy-4-(trifluoromethyl)phenyl)-2-aminopropane: a potent serotonin 5-HT2A/2C agonist. Abstract: A method was found to synthesize 1-(2,5-dimethoxy-4-(trifluoromethyl) phenyl)-2-aminopropane, 5, and its des-alpha-methyl congener 2-(2,5-dimethoxy-4-(trifluoromethyl)phenyl)aminoethane, 6, the trifluoromethyl analogs of substituted hallucinogenic phenethylamine derivatives such as 1-(2,5-dimethoxy-4-iodophenyl)-2-aminopropane (3, DOI) that are potent 5-HT2A/2C agonists. In our hand... aid5378.table aid5378.tbin
5379 3 Title: 1-(2,5-Dimethoxy-4-(trifluoromethyl)phenyl)-2-aminopropane: a potent serotonin 5-HT2A/2C agonist. Abstract: A method was found to synthesize 1-(2,5-dimethoxy-4-(trifluoromethyl) phenyl)-2-aminopropane, 5, and its des-alpha-methyl congener 2-(2,5-dimethoxy-4-(trifluoromethyl)phenyl)aminoethane, 6, the trifluoromethyl analogs of substituted hallucinogenic phenethylamine derivatives such as 1-(2,5-dimethoxy-4-iodophenyl)-2-aminopropane (3, DOI) that are potent 5-HT2A/2C agonists. In our hand... aid5379.table aid5379.tbin
5380 2 Title: 1-(2,5-Dimethoxy-4-(trifluoromethyl)phenyl)-2-aminopropane: a potent serotonin 5-HT2A/2C agonist. Abstract: A method was found to synthesize 1-(2,5-dimethoxy-4-(trifluoromethyl) phenyl)-2-aminopropane, 5, and its des-alpha-methyl congener 2-(2,5-dimethoxy-4-(trifluoromethyl)phenyl)aminoethane, 6, the trifluoromethyl analogs of substituted hallucinogenic phenethylamine derivatives such as 1-(2,5-dimethoxy-4-iodophenyl)-2-aminopropane (3, DOI) that are potent 5-HT2A/2C agonists. In our hand... aid5380.table aid5380.tbin
5381 2 Title: Pyrrolo[1,3]benzothiazepine-based atypical antipsychotic agents. Synthesis, structure-activity relationship, molecular modeling, and biological studies. Abstract: The prototypical dopamine and serotonin antagonist (+/-)-7-chloro-9-(4-methylpiperazin-1-yl)-9,10-dihydropyrrolo[2,1-b][1,3]benzothiazepine (5) was resolved into its R and S enantiomers via crystallization of the diastereomeric tartaric acid salts. Binding studies confirmed that the (R)-(-)-enantiomer is a more potent D(2) recep... aid5381.table aid5381.tbin
5382 3 Title: Biarylcarbamoylindolines are novel and selective 5-HT(2C) receptor inverse agonists: identification of 5-methyl-1-[[2-[(2-methyl-3-pyridyl)oxy]- 5-pyridyl]carbamoyl]-6-trifluoromethylindoline (SB-243213) as a potential antidepressant/anxiolytic agent. Abstract: The evolution, synthesis, and biological activity of a novel series of 5-HT(2C) receptor inverse agonists are reported. Biarylcarbamoylindolines have been identified with excellent 5-HT(2C) affinity and selectivity over 5-HT(2A) re... aid5382.table aid5382.tbin
5383 14 Title: Indoline derivatives as 5-HT(2C) receptor agonists. Abstract: A series of 1-(1-indolinyl)-2-propylamines was synthesised and evaluated as 5-HT(2C) receptor agonists for the treatment of obesity. The general methods of synthesis of the precursor indoles are described. The functional efficacy and radioligand binding data for all of the compounds at 5-HT(2) receptor subtypes are reported. A number of compounds were found to reduce food intake in rats after oral administration. aid5383.table aid5383.tbin
5384 1 Title: 6-Bicyclopiperazinyl-1-arylsulfonylindoles and 6-bicyclopiperidinyl-1-arylsulfonylindoles derivatives as novel, potent, and selective 5-HT6 receptor antagonists. Abstract: A novel series of 6-bicyclopiperazinyl-1-arylsulfonylindoles and 6-bicyclopiperidinyl-1-arylsulfonylindoles derivatives was synthesized and found to be potent and selective 5-HT6 receptor antagonists. aid5384.table aid5384.tbin
5385 1 Title: (+/-)8-Amino-5,6,7,8-tetrahydroisoquinolines as novel antinociceptive agents. Abstract: Several amine-substituted 8-amino-5,6,7,8-tetrahydroisoquinolines were examined as conformationally-constrained analogs of the nicotinic cholinergic (nACh) 3-(aminomethyl)pyridines. Although these ligands failed to bind at nACh receptors, the N-ethyl-N-methyl analog 3d was found to be at least equipotent with nicotine in rodent tests of antinociception. The mechanism of action of 3d is currently unknow... aid5385.table aid5385.tbin
5386 4 Title: Dihydrobenzofuran analogues of hallucinogens. 4. Mescaline derivatives. Abstract: Dihydrobenzofuran and tetrahydrobenzodifuran functionalities were employed as conformationally restricted bioisosteres of the aromatic methoxy groups in the prototypical hallucinogen, mescaline (1). Thus, 4-(2-aminoethyl)-6,7-dimethoxy-2,3-dihydrobenzofuran hydrochloride (8) and 1-(8-methoxy-2,3,5,6-tetrahydrobenzo[1,2-b:5,4-b']difuran-4-yl)-2- aminoethane hydrochloride (9) were prepared and evaluated along ... aid5386.table aid5386.tbin
5387 1 Title: Dihydrobenzofuran analogues of hallucinogens. 3. Models of 4-substituted (2,5-dimethoxyphenyl)alkylamine derivatives with rigidified methoxy groups. Abstract: Tetrahydrobenzodifuran functionalities were employed as conformationally restricted bioisosteres of the aromatic methoxy groups in prototypical hallucinogenic phenylalkylamines 1 and 2. Thus, a series of 8-substituted 1-(2,3,6,7-tetrahydrobenzo[1,2-b:4,5-b']difuran-4-yl)-2-aminoal kanes (7a-e) were prepared and evaluated for activit... aid5387.table aid5387.tbin
5388 1 Title: Dihydrobenzofuran analogues of hallucinogens. 4. Mescaline derivatives. Abstract: Dihydrobenzofuran and tetrahydrobenzodifuran functionalities were employed as conformationally restricted bioisosteres of the aromatic methoxy groups in the prototypical hallucinogen, mescaline (1). Thus, 4-(2-aminoethyl)-6,7-dimethoxy-2,3-dihydrobenzofuran hydrochloride (8) and 1-(8-methoxy-2,3,5,6-tetrahydrobenzo[1,2-b:5,4-b']difuran-4-yl)-2- aminoethane hydrochloride (9) were prepared and evaluated along ... aid5388.table aid5388.tbin
5389 2 Title: Dihydrobenzofuran analogues of hallucinogens. 4. Mescaline derivatives. Abstract: Dihydrobenzofuran and tetrahydrobenzodifuran functionalities were employed as conformationally restricted bioisosteres of the aromatic methoxy groups in the prototypical hallucinogen, mescaline (1). Thus, 4-(2-aminoethyl)-6,7-dimethoxy-2,3-dihydrobenzofuran hydrochloride (8) and 1-(8-methoxy-2,3,5,6-tetrahydrobenzo[1,2-b:5,4-b']difuran-4-yl)-2- aminoethane hydrochloride (9) were prepared and evaluated along ... aid5389.table aid5389.tbin
5390 1 Title: Dihydrobenzofuran analogues of hallucinogens. 4. Mescaline derivatives. Abstract: Dihydrobenzofuran and tetrahydrobenzodifuran functionalities were employed as conformationally restricted bioisosteres of the aromatic methoxy groups in the prototypical hallucinogen, mescaline (1). Thus, 4-(2-aminoethyl)-6,7-dimethoxy-2,3-dihydrobenzofuran hydrochloride (8) and 1-(8-methoxy-2,3,5,6-tetrahydrobenzo[1,2-b:5,4-b']difuran-4-yl)-2- aminoethane hydrochloride (9) were prepared and evaluated along ... aid5390.table aid5390.tbin
5391 1 Title: Dihydrobenzofuran analogues of hallucinogens. 3. Models of 4-substituted (2,5-dimethoxyphenyl)alkylamine derivatives with rigidified methoxy groups. Abstract: Tetrahydrobenzodifuran functionalities were employed as conformationally restricted bioisosteres of the aromatic methoxy groups in prototypical hallucinogenic phenylalkylamines 1 and 2. Thus, a series of 8-substituted 1-(2,3,6,7-tetrahydrobenzo[1,2-b:4,5-b']difuran-4-yl)-2-aminoal kanes (7a-e) were prepared and evaluated for activit... aid5391.table aid5391.tbin
5392 1 Title: Substituted naphthofurans as hallucinogenic phenethylamine-ergoline hybrid molecules with unexpected muscarinic antagonist activity. Abstract: A series of substituted racemic naphthofurans were synthesized as &quot;hybrid&quot; molecules of the two major prototypical hallucinogenic drug classes, the phenethylamines and the tryptamines/ergolines. Although it was hypothesized that these new agents might possess high affinity for the serotonin 5-HT2A/2C receptor subtypes, unexpected affinity... aid5392.table aid5392.tbin
5393 3 Title: Substituted naphthofurans as hallucinogenic phenethylamine-ergoline hybrid molecules with unexpected muscarinic antagonist activity. Abstract: A series of substituted racemic naphthofurans were synthesized as &quot;hybrid&quot; molecules of the two major prototypical hallucinogenic drug classes, the phenethylamines and the tryptamines/ergolines. Although it was hypothesized that these new agents might possess high affinity for the serotonin 5-HT2A/2C receptor subtypes, unexpected affinity... aid5393.table aid5393.tbin
5394 1 Title: Substituted naphthofurans as hallucinogenic phenethylamine-ergoline hybrid molecules with unexpected muscarinic antagonist activity. Abstract: A series of substituted racemic naphthofurans were synthesized as &quot;hybrid&quot; molecules of the two major prototypical hallucinogenic drug classes, the phenethylamines and the tryptamines/ergolines. Although it was hypothesized that these new agents might possess high affinity for the serotonin 5-HT2A/2C receptor subtypes, unexpected affinity... aid5394.table aid5394.tbin
5395 1 Title: Influence of amine substituents on 5-HT2A versus 5-HT2C binding of phenylalkyl- and indolylalkylamines. Abstract: The effect of 15 different amine substituents on 5-HT2A and 5-HT2C serotonin receptor binding was investigated for two series of compounds (i.e., phenylalkylamine and indolylalkylamine derivatives). In general, amine substitution decreases receptor affinity; however, N-(4-bromobenzyl) substitution results in compounds that bind at 5-HT2A receptors with high affinity (Ki &lt; 1... aid5395.table aid5395.tbin
5396 32 Title: Influence of amine substituents on 5-HT2A versus 5-HT2C binding of phenylalkyl- and indolylalkylamines. Abstract: The effect of 15 different amine substituents on 5-HT2A and 5-HT2C serotonin receptor binding was investigated for two series of compounds (i.e., phenylalkylamine and indolylalkylamine derivatives). In general, amine substitution decreases receptor affinity; however, N-(4-bromobenzyl) substitution results in compounds that bind at 5-HT2A receptors with high affinity (Ki &lt; 1... aid5396.table aid5396.tbin
5397 32 Title: Influence of amine substituents on 5-HT2A versus 5-HT2C binding of phenylalkyl- and indolylalkylamines. Abstract: The effect of 15 different amine substituents on 5-HT2A and 5-HT2C serotonin receptor binding was investigated for two series of compounds (i.e., phenylalkylamine and indolylalkylamine derivatives). In general, amine substitution decreases receptor affinity; however, N-(4-bromobenzyl) substitution results in compounds that bind at 5-HT2A receptors with high affinity (Ki &lt; 1... aid5397.table aid5397.tbin
5398 5 Title: Isochroman-6-carboxamides as highly selective 5-HT1D agonists: potential new treatment for migraine without cardiovascular side effects. aid5398.table aid5398.tbin
5399 2 Title: Isochroman-6-carboxamides as highly selective 5-HT1D agonists: potential new treatment for migraine without cardiovascular side effects. aid5399.table aid5399.tbin
5400 1 Title: Influence of the 5-HT6 receptor on acetylcholine release in the cortex: pharmacological characterization of 4-(2-bromo-6-pyrrolidin-1-ylpyridine-4-sulfonyl)phenylamine, a potent and selective 5-HT6 receptor antagonist. Abstract: A small series of aryl pyridyl sulfones has been prepared and investigated for its 5-HT(6) receptor binding properties. Thereof, pyrrolidinyl derivative 11 proved to be a very potent (pK(i) 9) and selective 5-HT(6) receptor antagonist. By means of in vivo microdia... aid5400.table aid5400.tbin
5401 1 Title: Indoline derivatives as 5-HT(2C) receptor agonists. Abstract: A series of 1-(1-indolinyl)-2-propylamines was synthesised and evaluated as 5-HT(2C) receptor agonists for the treatment of obesity. The general methods of synthesis of the precursor indoles are described. The functional efficacy and radioligand binding data for all of the compounds at 5-HT(2) receptor subtypes are reported. A number of compounds were found to reduce food intake in rats after oral administration. aid5401.table aid5401.tbin
5402 13 Title: Indoline derivatives as 5-HT(2C) receptor agonists. Abstract: A series of 1-(1-indolinyl)-2-propylamines was synthesised and evaluated as 5-HT(2C) receptor agonists for the treatment of obesity. The general methods of synthesis of the precursor indoles are described. The functional efficacy and radioligand binding data for all of the compounds at 5-HT(2) receptor subtypes are reported. A number of compounds were found to reduce food intake in rats after oral administration. aid5402.table aid5402.tbin
5403 22 Title: 2,3,4,5-tetrahydro- and 2,3,4,5,11,11a-hexahydro-1H-[1,4]diazepino[1,7-a]indoles: new templates for 5-HT(2C) agonists. Abstract: The design and synthesis of the novel 2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole 5 is described. This azepinoindole has excellent affinity for 5-HT(2C) (K(i) 4.8 nM) and modest selectivity over 5-HT(2A) ( approximately 4-fold). Several N- and C(11)-substituted analogues of 5 were prepared, as were a number of biaryl indoline derivatives. The anxiolytic po... aid5403.table aid5403.tbin
5404 1 Title: Synthesis and serotonergic activity of N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethylamine and analogues: potent agonists for 5-HT1D receptors. Abstract: The synthesis and the 5-HT receptor activity of a novel series of N,N-dimethyltryptamines substituted in the 5-position with an imidazole, triazole, or tetrazole ring are described. The objective of this work was to identify potent and selective 5-HT1D receptor agonists with high oral bioavailability and low central ner... aid5404.table aid5404.tbin
5405 1 Title: Synthesis and serotonergic activity of N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethylamine and analogues: potent agonists for 5-HT1D receptors. Abstract: The synthesis and the 5-HT receptor activity of a novel series of N,N-dimethyltryptamines substituted in the 5-position with an imidazole, triazole, or tetrazole ring are described. The objective of this work was to identify potent and selective 5-HT1D receptor agonists with high oral bioavailability and low central ner... aid5405.table aid5405.tbin
5406 1 Title: Synthesis and structure-activity relationship of 2-(aminoalkyl)-2,3,3a,8-tetrahydrodibenzo[c,f]isoxazolo[2,3-a]azepine derivatives: a novel series of 5-HT(2A/2C) receptor antagonists. Part 2. Abstract: Following the programme started at Janssen Research Foundation searching for 5-HT(2A/2C) antagonists, we now report on the synthesis of a series of substituted 2-(Dimethylaminomethyl)-2,3,3a,8-tetrahydrodibenzo[c,f]isoxazolo[2,3-a]azepine derivatives. The 5-HT(2A), 5-HT(2C) and H(1) recepto... aid5406.table aid5406.tbin
5407 21 Title: Synthesis and structure-activity relationship of 2-(aminoalkyl)-2,3,3a,8-tetrahydrodibenzo[c,f]isoxazolo[2,3-a]azepine derivatives: a novel series of 5-HT(2A/2C) receptor antagonists. Part 1. Abstract: The synthesis of a series of novel 2-(aminoalkyl)-2,3,3a,8-tetrahydrodibenzo[c,f]isoxazolo[2,3-a]azepine derivatives as well as their 5-HT(2A/2C) and H(1) receptor binding affinities are described. The in vivo activity as potential anxiolytics of the synthesised compounds was measured in a ... aid5407.table aid5407.tbin
5408 19 Title: Synthesis and structure-activity relationship of 2-(aminoalkyl)-2,3,3a,8-tetrahydrodibenzo[c,f]isoxazolo[2,3-a]azepine derivatives: a novel series of 5-HT(2A/2C) receptor antagonists. Part 2. Abstract: Following the programme started at Janssen Research Foundation searching for 5-HT(2A/2C) antagonists, we now report on the synthesis of a series of substituted 2-(Dimethylaminomethyl)-2,3,3a,8-tetrahydrodibenzo[c,f]isoxazolo[2,3-a]azepine derivatives. The 5-HT(2A), 5-HT(2C) and H(1) recepto... aid5408.table aid5408.tbin
5409 2 Title: Synthesis and structure-activity relationship of 2-(aminoalkyl)-2,3,3a,8-tetrahydrodibenzo[c,f]isoxazolo[2,3-a]azepine derivatives: a novel series of 5-HT(2A/2C) receptor antagonists. Part 2. Abstract: Following the programme started at Janssen Research Foundation searching for 5-HT(2A/2C) antagonists, we now report on the synthesis of a series of substituted 2-(Dimethylaminomethyl)-2,3,3a,8-tetrahydrodibenzo[c,f]isoxazolo[2,3-a]azepine derivatives. The 5-HT(2A), 5-HT(2C) and H(1) recepto... aid5409.table aid5409.tbin
5410 1 Title: 2-(Dimethylaminomethyl)-tetrahydroisoxazolopyridobenzazepine derivatives. Synthesis of a new 5-HT(2C) antagonist with potential anxiolytic properties. Abstract: Following the program started at Johnson &amp; Johnson Pharmaceutical Research &amp; Development searching for 5-HT(2A/2C) antagonists, we now report on the synthesis of 2-(dimethylaminomethyl)-2,3,3a,8-tetrahydroisoxazolo[3,2-a]pyrido[3,4-c]-[2]benzazepine and 2-(dimethylaminomethyl)-2,3,3a,8-tetrahydroisoxazolo[3,2-a]pyrido[3,2-... aid5410.table aid5410.tbin
5411 3 Title: 2-(Dimethylaminomethyl)-tetrahydroisoxazolopyridobenzazepine derivatives. Synthesis of a new 5-HT(2C) antagonist with potential anxiolytic properties. Abstract: Following the program started at Johnson &amp; Johnson Pharmaceutical Research &amp; Development searching for 5-HT(2A/2C) antagonists, we now report on the synthesis of 2-(dimethylaminomethyl)-2,3,3a,8-tetrahydroisoxazolo[3,2-a]pyrido[3,4-c]-[2]benzazepine and 2-(dimethylaminomethyl)-2,3,3a,8-tetrahydroisoxazolo[3,2-a]pyrido[3,2-... aid5411.table aid5411.tbin
5412 1 Title: N-(1-methyl-5-indolyl)-N'-(3-methyl-5-isothiazolyl)urea: a novel, high-affinity 5-HT2B receptor antagonist. aid5412.table aid5412.tbin
5413 4 Title: N-(1-methyl-5-indolyl)-N'-(3-methyl-5-isothiazolyl)urea: a novel, high-affinity 5-HT2B receptor antagonist. aid5413.table aid5413.tbin
5414 5 Title: 6-Chloro-5-methyl-1-[[2-[(2-methyl-3-pyridyl)oxy]-5-pyridyl]carbamoyl]- indoline (SB-242084): the first selective and brain penetrant 5-HT2C receptor antagonist. aid5414.table aid5414.tbin
5415 1 Title: 5-Methyl-1-(3-pyridylcarbamoyl)-1,2,3,5-tetrahydropyrrolo[2,3-f]indole: a novel 5-HT2C/5-HT2B receptor antagonist with improved affinity, selectivity, and oral activity. Abstract: The preparation of a series of conformationally restricted analogues of indolylurea 1, namely tetrahydropyrroloindoles and tetrahydropyrroloquinolines, is described. The binding affinities of these compounds at 5-HT2A, 5-HT2B, and 5-HT2C receptors were determined. Of these compounds, the 1,2,3,5-tetrahydropyrrol... aid5415.table aid5415.tbin
5416 29 Title: Novel agonists of 5HT2C receptors. Synthesis and biological evaluation of substituted 2-(indol-1-yl)-1-methylethylamines and 2-(indeno[1,2-b]pyrrol-1-yl)-1-methylethylamines. Improved therapeutics for obsessive compulsive disorder. Abstract: The syntheses of a series of substituted 2-(indol-1-yl)-1-methylethylamines and 2-(indeno[1,2- b]pyrrol-1-yl)-1-methylethylamines are reported. The binding affinities of the compounds at 5HT2C and 5HT2A receptors (79% homology in the transmembrane dom... aid5416.table aid5416.tbin
5417 2 Title: 5-Methyl-1-(3-pyridylcarbamoyl)-1,2,3,5-tetrahydropyrrolo[2,3-f]indole: a novel 5-HT2C/5-HT2B receptor antagonist with improved affinity, selectivity, and oral activity. Abstract: The preparation of a series of conformationally restricted analogues of indolylurea 1, namely tetrahydropyrroloindoles and tetrahydropyrroloquinolines, is described. The binding affinities of these compounds at 5-HT2A, 5-HT2B, and 5-HT2C receptors were determined. Of these compounds, the 1,2,3,5-tetrahydropyrrol... aid5417.table aid5417.tbin
5418 1 Title: 5-Methyl-1-(3-pyridylcarbamoyl)-1,2,3,5-tetrahydropyrrolo[2,3-f]indole: a novel 5-HT2C/5-HT2B receptor antagonist with improved affinity, selectivity, and oral activity. Abstract: The preparation of a series of conformationally restricted analogues of indolylurea 1, namely tetrahydropyrroloindoles and tetrahydropyrroloquinolines, is described. The binding affinities of these compounds at 5-HT2A, 5-HT2B, and 5-HT2C receptors were determined. Of these compounds, the 1,2,3,5-tetrahydropyrrol... aid5418.table aid5418.tbin
5419 9 Title: Novel (4-piperazin-1-ylquinolin-6-yl) arylsulfonamides with high affinity and selectivity for the 5-HT(6) receptor. Abstract: The discovery of (4-piperazin-1-ylquinolin-6-yl) arylsulfonamides and their binding affinities for a selection of 5-HT and dopamine subreceptors is described. Many compounds show high affinity (pK(i)&gt;8) for the 5-HT(6) receptor and &gt;100-fold selectivity against a range of other receptors. Structure-activity relationships of these compounds are discussed. aid5419.table aid5419.tbin
5420 17 Title: Identification of a novel series of selective 5-HT7 receptor antagonists. Abstract: Novel 5-HT(7) receptor antagonists containing the benzocycloheptanone core were identified from high throughput screening. Molecular modelling and SAR studies have converted these intractable hits into a more potent, selective and tractable series, exemplified by compound (25), SB-691673. aid5420.table aid5420.tbin
5421 1 Title: A novel ergot alkaloid as a 5-HT(1A) inhibitor produced by Dicyma sp. Abstract: In the course of a search for small-molecule inhibitors of 5-hydroxytryptamine receptors we have identified a novel ergoline derivative (1) from the fungal culture of Dicyma sp. This compound has a pK(i) of 10.2 versus the 5-hydroxytryptamine(1A) receptor subtype. The structure was elucidated by extensive NMR spectroscopy and mass spectrometry. aid5421.table aid5421.tbin
5422 3 Title: A novel ergot alkaloid as a 5-HT(1A) inhibitor produced by Dicyma sp. Abstract: In the course of a search for small-molecule inhibitors of 5-hydroxytryptamine receptors we have identified a novel ergoline derivative (1) from the fungal culture of Dicyma sp. This compound has a pK(i) of 10.2 versus the 5-hydroxytryptamine(1A) receptor subtype. The structure was elucidated by extensive NMR spectroscopy and mass spectrometry. aid5422.table aid5422.tbin
5423 1 Title: A novel ergot alkaloid as a 5-HT(1A) inhibitor produced by Dicyma sp. Abstract: In the course of a search for small-molecule inhibitors of 5-hydroxytryptamine receptors we have identified a novel ergoline derivative (1) from the fungal culture of Dicyma sp. This compound has a pK(i) of 10.2 versus the 5-hydroxytryptamine(1A) receptor subtype. The structure was elucidated by extensive NMR spectroscopy and mass spectrometry. aid5423.table aid5423.tbin
5424 10 Title: A novel, potent, and selective 5-HT(7) antagonist: (R)-3-(2-(2-(4-methylpiperidin-1-yl)ethyl)pyrrolidine-1-sulfonyl) phen ol (SB-269970). aid5424.table aid5424.tbin
5425 55 Title: Novel and selective 5-HT2C/2B receptor antagonists as potential anxiolytic agents: synthesis, quantitative structure-activity relationships, and molecular modeling of substituted 1-(3-pyridylcarbamoyl)indolines. Abstract: The synthesis, biological activity, and molecular modeling of a novel series of substituted 1-(3-pyridylcarbamoyl)indolines are reported. These compounds are isosteres of the previously published indole urea 1 (SB-206553) and illustrate the use of aromatic disubstitution... aid5425.table aid5425.tbin
5426 37 Title: Biarylcarbamoylindolines are novel and selective 5-HT(2C) receptor inverse agonists: identification of 5-methyl-1-[[2-[(2-methyl-3-pyridyl)oxy]- 5-pyridyl]carbamoyl]-6-trifluoromethylindoline (SB-243213) as a potential antidepressant/anxiolytic agent. Abstract: The evolution, synthesis, and biological activity of a novel series of 5-HT(2C) receptor inverse agonists are reported. Biarylcarbamoylindolines have been identified with excellent 5-HT(2C) affinity and selectivity over 5-HT(2A) re... aid5426.table aid5426.tbin
5427 1 Title: Biarylcarbamoylindolines are novel and selective 5-HT(2C) receptor inverse agonists: identification of 5-methyl-1-[[2-[(2-methyl-3-pyridyl)oxy]- 5-pyridyl]carbamoyl]-6-trifluoromethylindoline (SB-243213) as a potential antidepressant/anxiolytic agent. Abstract: The evolution, synthesis, and biological activity of a novel series of 5-HT(2C) receptor inverse agonists are reported. Biarylcarbamoylindolines have been identified with excellent 5-HT(2C) affinity and selectivity over 5-HT(2A) re... aid5427.table aid5427.tbin
5428 41 Title: 1-[2-[(Heteroaryloxy)heteroaryl]carbamoyl]indolines: novel and selective 5-HT2C receptor inverse agonists with potential as antidepressant/anxiolytic agents. Abstract: Bisaryl ethers have been identified with excellent 5-HT2C affinity and selectivity over both 5-HT2A and 5-HT2B receptors. Compounds such as 11, 27 and 38 have potent oral activity in a centrally mediated pharmacodynamic model of 5-HT2C function and their potential as novel non-sedating anxiolytic and antidepressants is unde... aid5428.table aid5428.tbin
5429 21 Title: 1-[2-[(Heteroarylmethoxy)aryl]carbamoyl]indolines are selective and orally active 5-HT2C receptor inverse agonists. Abstract: Bisarylmethoxyethers have been identified with nanomolar 5-HT2C affinity and selectivity over both 5-HT2A and 5-HT2B receptors. Compounds such as 1, 2, 8, 12, 14 and 18 have potent oral activity in a centrally mediated pharmacodynamic model of 5-HT2C function and their therapeutic potential is currently under further investigation. aid5429.table aid5429.tbin
5430 1 Title: 5-Methyl-1-(3-pyridylcarbamoyl)-1,2,3,5-tetrahydropyrrolo[2,3-f]indole: a novel 5-HT2C/5-HT2B receptor antagonist with improved affinity, selectivity, and oral activity. Abstract: The preparation of a series of conformationally restricted analogues of indolylurea 1, namely tetrahydropyrroloindoles and tetrahydropyrroloquinolines, is described. The binding affinities of these compounds at 5-HT2A, 5-HT2B, and 5-HT2C receptors were determined. Of these compounds, the 1,2,3,5-tetrahydropyrrol... aid5430.table aid5430.tbin
5431 2 Title: Influence of the 5-HT6 receptor on acetylcholine release in the cortex: pharmacological characterization of 4-(2-bromo-6-pyrrolidin-1-ylpyridine-4-sulfonyl)phenylamine, a potent and selective 5-HT6 receptor antagonist. Abstract: A small series of aryl pyridyl sulfones has been prepared and investigated for its 5-HT(6) receptor binding properties. Thereof, pyrrolidinyl derivative 11 proved to be a very potent (pK(i) 9) and selective 5-HT(6) receptor antagonist. By means of in vivo microdia... aid5431.table aid5431.tbin
5432 1 Title: Influence of the 5-HT6 receptor on acetylcholine release in the cortex: pharmacological characterization of 4-(2-bromo-6-pyrrolidin-1-ylpyridine-4-sulfonyl)phenylamine, a potent and selective 5-HT6 receptor antagonist. Abstract: A small series of aryl pyridyl sulfones has been prepared and investigated for its 5-HT(6) receptor binding properties. Thereof, pyrrolidinyl derivative 11 proved to be a very potent (pK(i) 9) and selective 5-HT(6) receptor antagonist. By means of in vivo microdia... aid5432.table aid5432.tbin
5433 1 Title: Influence of the 5-HT6 receptor on acetylcholine release in the cortex: pharmacological characterization of 4-(2-bromo-6-pyrrolidin-1-ylpyridine-4-sulfonyl)phenylamine, a potent and selective 5-HT6 receptor antagonist. Abstract: A small series of aryl pyridyl sulfones has been prepared and investigated for its 5-HT(6) receptor binding properties. Thereof, pyrrolidinyl derivative 11 proved to be a very potent (pK(i) 9) and selective 5-HT(6) receptor antagonist. By means of in vivo microdia... aid5433.table aid5433.tbin
5434 4 Title: Phenyl benzenesulfonamides are novel and selective 5-HT6 antagonists: identification of N-(2,5-dibromo-3-fluorophenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide (SB-357134). Abstract: Substituted N-phenyl-4-methoxy-3-piperazin-1-ylbenzenesulfonamides and conformationally restricted analogues have been identified as high affinity and selective 5-HT6 antagonists. Compounds from this series had a range of pharmacokinetic profiles in rat and in general there was a correlation between clear... aid5434.table aid5434.tbin
5435 7 Compound was evaluated for displacement of [3H]ketanserin from human cloned 5-hydroxytryptamine 2A receptor in transfected CHO-K1 cells aid5435.table aid5435.tbin
5436 16 Displacement of [3H]-ketanserin from human cloned 5-hydroxytryptamine 2A receptor expressed in CHO-K1 cells. aid5436.table aid5436.tbin
5437 12 Title: The selective 5-HT1B receptor inverse agonist 1'-methyl-5-[[2'-methyl-4'-(5-methyl-1,2, 4-oxadiazol-3-yl)biphenyl-4-yl]carbonyl]-2,3,6,7-tetrahydro- spiro[furo[2,3-f]indole-3,4'-piperidine] (SB-224289) potently blocks terminal 5-HT autoreceptor function both in vitro and in vivo. Abstract: 5-HT1 receptors are members of the G-protein-coupled receptor superfamily and are negatively linked to adenylyl cyclase activity. The human 5-HT1B and 5-HT1D receptors (previously known as 5-HT1Dbeta an... aid5437.table aid5437.tbin
5438 3 Title: 5-Chloro-N-(4-methoxy-3-piperazin-1-yl- phenyl)-3-methyl-2-benzothiophenesulfon- amide (SB-271046): a potent, selective, and orally bioavailable 5-HT6 receptor antagonist. aid5438.table aid5438.tbin
5439 1 Title: SB-656104-A: a novel 5-HT(7) receptor antagonist with improved in vivo properties. Abstract: A focused SAR study around the previously reported selective 5-HT(7) receptor antagonist, SB-269970-A has resulted in the identification of a structurally related analogue having an improved pharmacokinetic profile. Replacement of the phenolic group in SB-269970-A with an indole moiety, and replacement of the piperidinyl 4-methyl group with a heterocyclic ring system proved to be the key changes l... aid5439.table aid5439.tbin
5440 4 Title: New serotonin 5-HT(2A), 5-HT(2B), and 5-HT(2C) receptor antagonists: synthesis, pharmacology, 3D-QSAR, and molecular modeling of (aminoalkyl)benzo and heterocycloalkanones. Abstract: A series of 52 conformationally constrained butyrophenones have been synthesized and pharmacologically tested as antagonists at 5-HT(2A), 5-HT(2B), and 5-HT(2C) serotonin receptors, useful for dissecting the role of each 5-HT(2) subtype in pathophysiology. These compounds were also a consistent set for the id... aid5440.table aid5440.tbin
5441 1 Title: (R)-3,N-dimethyl-N-[1-methyl-3-(4-methyl-piperidin-1-yl) propyl]benzenesulfonamide: the first selective 5-HT7 receptor antagonist. aid5441.table aid5441.tbin
5442 5 Title: Bicyclic piperazinylbenzenesulphonamides are potent and selective 5-HT6 receptor antagonists. Abstract: The synthesis of novel 3-(octahydropyrido[1,2-a]pyrazin-2-yl)- and 3-(hexahydropyrrolo[1,2-a]pyrazin-2-yl)phenyl-2-benzo[b]thiophene sulphonamide derivatives 3, (S)-4 and (R)-4 is described. The compounds show high affinity for the 5-HT6 receptor, excellent selectivity against a range of other receptors and good brain penetration. aid5442.table aid5442.tbin
5443 3 Title: 1-(2,5-Dimethoxy-4-(trifluoromethyl)phenyl)-2-aminopropane: a potent serotonin 5-HT2A/2C agonist. Abstract: A method was found to synthesize 1-(2,5-dimethoxy-4-(trifluoromethyl) phenyl)-2-aminopropane, 5, and its des-alpha-methyl congener 2-(2,5-dimethoxy-4-(trifluoromethyl)phenyl)aminoethane, 6, the trifluoromethyl analogs of substituted hallucinogenic phenethylamine derivatives such as 1-(2,5-dimethoxy-4-iodophenyl)-2-aminopropane (3, DOI) that are potent 5-HT2A/2C agonists. In our hand... aid5443.table aid5443.tbin
5444 14 Title: Influence of chain length and N-alkylation on the selective serotonin receptor ligand 9-(aminomethyl)-9,10-dihydroanthracene. Abstract: Comparison of the serotonin 5-HT2A receptor affinities of chain lengthened and N-alkylated analogues of the novel ligand 9-aminomethyl-9,10-dihydroanthracene (AMDA) and a structurally similar prototypical tricyclic amine imipramine suggests that the two agents bind to the receptor in different fashions. The demonstration that AMDA is highly selective for ... aid5444.table aid5444.tbin
5445 3 Title: 1-(2,5-Dimethoxy-4-(trifluoromethyl)phenyl)-2-aminopropane: a potent serotonin 5-HT2A/2C agonist. Abstract: A method was found to synthesize 1-(2,5-dimethoxy-4-(trifluoromethyl) phenyl)-2-aminopropane, 5, and its des-alpha-methyl congener 2-(2,5-dimethoxy-4-(trifluoromethyl)phenyl)aminoethane, 6, the trifluoromethyl analogs of substituted hallucinogenic phenethylamine derivatives such as 1-(2,5-dimethoxy-4-iodophenyl)-2-aminopropane (3, DOI) that are potent 5-HT2A/2C agonists. In our hand... aid5445.table aid5445.tbin
5446 4 Title: 2,4-Disubstituted pyrroles: synthesis, traceless linking and pharmacological investigations leading to the dopamine D4 receptor partial agonist FAUC 356. Abstract: Solution-phase synthesis and a solid-phase supported approach to piperazinylmethyl substituted pyrroles are described. Receptor binding studies and the measurement of D4 ligand efficacy led to the ethynylpyrrole 1d (FAUC 356) exerting selective D4 binding and substantial ligand efficacy (66%, EC(50)=1.9nM). This activity profil... aid5446.table aid5446.tbin
5447 5 Title: 2,4-Disubstituted pyrroles: synthesis, traceless linking and pharmacological investigations leading to the dopamine D4 receptor partial agonist FAUC 356. Abstract: Solution-phase synthesis and a solid-phase supported approach to piperazinylmethyl substituted pyrroles are described. Receptor binding studies and the measurement of D4 ligand efficacy led to the ethynylpyrrole 1d (FAUC 356) exerting selective D4 binding and substantial ligand efficacy (66%, EC(50)=1.9nM). This activity profil... aid5447.table aid5447.tbin
5448 1 Title: Discovery of 4-[3-(trans-3-dimethylaminocyclobutyl)-1H-indol-5-ylmethyl]-(4S)-oxazolidin-2-one (4991W93), a 5HT(1B/1D) receptor partial agonist and a potent inhibitor of electrically induced plasma extravasation. Abstract: Utilizing a pharmacophoric model of binding of 3-(2-aminoethyl)indoles to 5HT(1B/1D) receptors, we identified the 3-aminocyclobutyl group as a potential ethylamine isostere. A novel multidimensional chemometric approach was used to predict the intrinsic activity (degree... aid5448.table aid5448.tbin
5449 13 Title: Synthesis and serotonergic activity of substituted 2, N-benzylcarboxamido-5-(2-ethyl-1-dioxoimidazolidinyl)-N, N-dimethyltryptamine derivatives: novel antagonists for the vascular 5-HT(1B)-like receptor. Abstract: The synthesis and vascular 5-HT(1B)-like receptor activity of a novel series of substituted 2, N-benzylcarboxamido-5-(2-ethyl-1-dioxoimidazolidinyl)-N, N-dimethyltryptamine derivatives are described. Modifications to the 5-ethylene-linked heterocycle and to substituents on the 2... aid5449.table aid5449.tbin
5450 34 Title: A novel series of 2,5-substituted tryptamine derivatives as vascular 5HT1B/1D receptor antagonists. Abstract: The design, synthesis, and activity of a novel series of 2,5-substituted tryptamine derivatives at vascular 5HT1B-like receptors is described. Several important auxiliary binding sites of the 5HT1B-like receptor have been proposed following various modifications to the 2-substituent and especially to the methylene- or ethylene-linked 5-side chain. Careful design of new molecules b... aid5450.table aid5450.tbin
5451 1 Title: Computer-aided design and synthesis of 5-substituted tryptamines and their pharmacology at the 5-HT1D receptor: discovery of compounds with potential anti-migraine properties. Abstract: The design and synthesis of a series of novel 5-substituted tryptamines with pharmacological activity at 5-HT1D and other monoamine receptors is described. Structural modifications of N- and C-linked (principally hydantoin) analogues at the 5-position were synthesized and their pharmacological activities w... aid5451.table aid5451.tbin
5452 45 Title: Computer-aided design and synthesis of 5-substituted tryptamines and their pharmacology at the 5-HT1D receptor: discovery of compounds with potential anti-migraine properties. Abstract: The design and synthesis of a series of novel 5-substituted tryptamines with pharmacological activity at 5-HT1D and other monoamine receptors is described. Structural modifications of N- and C-linked (principally hydantoin) analogues at the 5-position were synthesized and their pharmacological activities w... aid5452.table aid5452.tbin
5453 6 Compound was evaluated for displacement of [3H]ketanserin from cloned rat 5-hydroxytryptamine 2A receptor in transfected CHO-K1 cells. aid5453.table aid5453.tbin
5454 3 Title: Potent, selective tetrahydro-beta-carboline antagonists of the serotonin 2B (5HT2B) contractile receptor in the rat stomach fundus. Abstract: A series of potent, selective 5HT2B receptor antagonists has been identified based upon yohimbine, with SAR studies resulting in a 1000-fold increase in 5HT2B receptor affinity relative to the starting structure (-log KBS &gt; 10.0 have been obtained). These high-affinity tetrahydro-beta-carboline antagonists are able to discriminate among the 5HT2 ... aid5454.table aid5454.tbin
5455 1 Title: Potent, selective tetrahydro-beta-carboline antagonists of the serotonin 2B (5HT2B) contractile receptor in the rat stomach fundus. Abstract: A series of potent, selective 5HT2B receptor antagonists has been identified based upon yohimbine, with SAR studies resulting in a 1000-fold increase in 5HT2B receptor affinity relative to the starting structure (-log KBS &gt; 10.0 have been obtained). These high-affinity tetrahydro-beta-carboline antagonists are able to discriminate among the 5HT2 ... aid5455.table aid5455.tbin
5456 1 Title: Potent, selective tetrahydro-beta-carboline antagonists of the serotonin 2B (5HT2B) contractile receptor in the rat stomach fundus. Abstract: A series of potent, selective 5HT2B receptor antagonists has been identified based upon yohimbine, with SAR studies resulting in a 1000-fold increase in 5HT2B receptor affinity relative to the starting structure (-log KBS &gt; 10.0 have been obtained). These high-affinity tetrahydro-beta-carboline antagonists are able to discriminate among the 5HT2 ... aid5456.table aid5456.tbin
5457 11 Title: Potent, selective tetrahydro-beta-carboline antagonists of the serotonin 2B (5HT2B) contractile receptor in the rat stomach fundus. Abstract: A series of potent, selective 5HT2B receptor antagonists has been identified based upon yohimbine, with SAR studies resulting in a 1000-fold increase in 5HT2B receptor affinity relative to the starting structure (-log KBS &gt; 10.0 have been obtained). These high-affinity tetrahydro-beta-carboline antagonists are able to discriminate among the 5HT2 ... aid5457.table aid5457.tbin
5458 1 Title: Potent, selective tetrahydro-beta-carboline antagonists of the serotonin 2B (5HT2B) contractile receptor in the rat stomach fundus. Abstract: A series of potent, selective 5HT2B receptor antagonists has been identified based upon yohimbine, with SAR studies resulting in a 1000-fold increase in 5HT2B receptor affinity relative to the starting structure (-log KBS &gt; 10.0 have been obtained). These high-affinity tetrahydro-beta-carboline antagonists are able to discriminate among the 5HT2 ... aid5458.table aid5458.tbin
5459 15 Title: Enantiospecific synthesis and pharmacological evaluation of a series of super-potent, conformationally restricted 5-HT(2A/2C) receptor agonists. Abstract: The affinity of ligands for either the 5-HT(2A) or 5-HT(2C) agonist binding site was enhanced by modification of the 2,5-oxygen substituents that are found in typical hallucinogenic amphetamines such as 4b (DOB). Restriction of the conformationally flexible 2,5-dimethoxy substituents into fused dihydrofuran rings generally resulted in i... aid5459.table aid5459.tbin
5460 3 Title: Dihydrobenzofuran analogues of hallucinogens. 4. Mescaline derivatives. Abstract: Dihydrobenzofuran and tetrahydrobenzodifuran functionalities were employed as conformationally restricted bioisosteres of the aromatic methoxy groups in the prototypical hallucinogen, mescaline (1). Thus, 4-(2-aminoethyl)-6,7-dimethoxy-2,3-dihydrobenzofuran hydrochloride (8) and 1-(8-methoxy-2,3,5,6-tetrahydrobenzo[1,2-b:5,4-b']difuran-4-yl)-2- aminoethane hydrochloride (9) were prepared and evaluated along ... aid5460.table aid5460.tbin
5461 1 Title: Dihydrobenzofuran analogues of hallucinogens. 4. Mescaline derivatives. Abstract: Dihydrobenzofuran and tetrahydrobenzodifuran functionalities were employed as conformationally restricted bioisosteres of the aromatic methoxy groups in the prototypical hallucinogen, mescaline (1). Thus, 4-(2-aminoethyl)-6,7-dimethoxy-2,3-dihydrobenzofuran hydrochloride (8) and 1-(8-methoxy-2,3,5,6-tetrahydrobenzo[1,2-b:5,4-b']difuran-4-yl)-2- aminoethane hydrochloride (9) were prepared and evaluated along ... aid5461.table aid5461.tbin
5462 8 Title: Effect of ring fluorination on the pharmacology of hallucinogenic tryptamines. Abstract: A series of fluorinated analogues of the hallucinogenic tryptamines N,N-diethyltryptamine (DET), 4-hydroxy-N,N-dimethyltryptamine (4-OH-DMT, psilocin), and 5-methoxy-DMT was synthesized to investigate possible explanations for the inactivity of 6-fluoro-DET as a hallucinogen and to determine the effects of fluorination on the molecular recognition and activation of these compounds at serotonin recepto... aid5462.table aid5462.tbin
5463 4 Title: Lysergamides of isomeric 2,4-dimethylazetidines map the binding orientation of the diethylamide moiety in the potent hallucinogenic agent N,N-diethyllysergamide (LSD). Abstract: Lysergic acid amides were prepared from (R,R)-(-)-, (S,S)-(+)-, and cis-2,4-dimethyl azetidine. The dimethylazetidine moiety is considered here to be a rigid analogue of diethylamine, and thus, the target compounds are all conformationally constrained analogues of the potent hallucinogenic agent, N,N-diethyllyserg... aid5463.table aid5463.tbin
5464 11 Title: A novel and selective 5-HT2 receptor agonist with ocular hypotensive activity: (S)-(+)-1-(2-aminopropyl)-8,9-dihydropyrano[3,2-e]indole. Abstract: Serotonin 5-HT2 receptor agonists have recently been shown to be effective in lowering intraocular pressure in nonhuman primates and represent a potential new class of antiglaucoma agents. As part of an effort to identify new selective agonists at this receptor, we have found that (S)-(+)-1-(2-aminopropyl)-8,9-dihydropyrano[3,2-e]indole (AL-373... aid5464.table aid5464.tbin
5465 1 Title: Synthesis and pharmacological characterization of a series of geometrically constrained 5-HT(2A/2C) receptor ligands. Abstract: In studies of the SAR of phenethylamine-type serotonin 5-HT(2A) receptor agonists, substituted conformationally constrained tetrahydronaphthofurans were designed to investigate the optimal conformation of the 2-aminoethyl moiety. These compounds were tested using in vitro assays for affinity at 5-HT(1A), 5-HT(2A), and 5-HT(2C) receptors. The benzofuran-containing... aid5465.table aid5465.tbin
5466 7 Title: Synthesis and pharmacological characterization of a series of geometrically constrained 5-HT(2A/2C) receptor ligands. Abstract: In studies of the SAR of phenethylamine-type serotonin 5-HT(2A) receptor agonists, substituted conformationally constrained tetrahydronaphthofurans were designed to investigate the optimal conformation of the 2-aminoethyl moiety. These compounds were tested using in vitro assays for affinity at 5-HT(1A), 5-HT(2A), and 5-HT(2C) receptors. The benzofuran-containing... aid5466.table aid5466.tbin
5467 1 Title: Synthesis and pharmacological characterization of a series of geometrically constrained 5-HT(2A/2C) receptor ligands. Abstract: In studies of the SAR of phenethylamine-type serotonin 5-HT(2A) receptor agonists, substituted conformationally constrained tetrahydronaphthofurans were designed to investigate the optimal conformation of the 2-aminoethyl moiety. These compounds were tested using in vitro assays for affinity at 5-HT(1A), 5-HT(2A), and 5-HT(2C) receptors. The benzofuran-containing... aid5467.table aid5467.tbin
5468 1 Title: A novel and selective 5-HT2 receptor agonist with ocular hypotensive activity: (S)-(+)-1-(2-aminopropyl)-8,9-dihydropyrano[3,2-e]indole. Abstract: Serotonin 5-HT2 receptor agonists have recently been shown to be effective in lowering intraocular pressure in nonhuman primates and represent a potential new class of antiglaucoma agents. As part of an effort to identify new selective agonists at this receptor, we have found that (S)-(+)-1-(2-aminopropyl)-8,9-dihydropyrano[3,2-e]indole (AL-373... aid5468.table aid5468.tbin
5469 2 Title: Thieno[3,2-b]- and thieno[2,3-b]pyrrole bioisosteric analogues of the hallucinogen and serotonin agonist N,N-dimethyltryptamine. Abstract: The synthesis and biological activity of 6-[2-(N, N-dimethylamino)ethyl]-4H-thieno[3,2-b]pyrrole (3a) and 4-[2-(N, N-dimethylamino)ethyl]-6H-thieno[2,3-b]pyrrole (3b), thienopyrroles as potential bioisosteres of N,N-dimethyltryptamine (1a), are reported. Hallucinogen-like activity was evaluated in the two-lever drug discrimination paradigm using LSD- a... aid5469.table aid5469.tbin
5470 1 Title: A novel and selective 5-HT2 receptor agonist with ocular hypotensive activity: (S)-(+)-1-(2-aminopropyl)-8,9-dihydropyrano[3,2-e]indole. Abstract: Serotonin 5-HT2 receptor agonists have recently been shown to be effective in lowering intraocular pressure in nonhuman primates and represent a potential new class of antiglaucoma agents. As part of an effort to identify new selective agonists at this receptor, we have found that (S)-(+)-1-(2-aminopropyl)-8,9-dihydropyrano[3,2-e]indole (AL-373... aid5470.table aid5470.tbin
5471 9 Title: A novel and selective 5-HT2 receptor agonist with ocular hypotensive activity: (S)-(+)-1-(2-aminopropyl)-8,9-dihydropyrano[3,2-e]indole. Abstract: Serotonin 5-HT2 receptor agonists have recently been shown to be effective in lowering intraocular pressure in nonhuman primates and represent a potential new class of antiglaucoma agents. As part of an effort to identify new selective agonists at this receptor, we have found that (S)-(+)-1-(2-aminopropyl)-8,9-dihydropyrano[3,2-e]indole (AL-373... aid5471.table aid5471.tbin
5472 10 Title: A novel and selective 5-HT2 receptor agonist with ocular hypotensive activity: (S)-(+)-1-(2-aminopropyl)-8,9-dihydropyrano[3,2-e]indole. Abstract: Serotonin 5-HT2 receptor agonists have recently been shown to be effective in lowering intraocular pressure in nonhuman primates and represent a potential new class of antiglaucoma agents. As part of an effort to identify new selective agonists at this receptor, we have found that (S)-(+)-1-(2-aminopropyl)-8,9-dihydropyrano[3,2-e]indole (AL-373... aid5472.table aid5472.tbin
5473 9 Title: A novel and selective 5-HT2 receptor agonist with ocular hypotensive activity: (S)-(+)-1-(2-aminopropyl)-8,9-dihydropyrano[3,2-e]indole. Abstract: Serotonin 5-HT2 receptor agonists have recently been shown to be effective in lowering intraocular pressure in nonhuman primates and represent a potential new class of antiglaucoma agents. As part of an effort to identify new selective agonists at this receptor, we have found that (S)-(+)-1-(2-aminopropyl)-8,9-dihydropyrano[3,2-e]indole (AL-373... aid5473.table aid5473.tbin
5474 1 Title: A novel and selective 5-HT2 receptor agonist with ocular hypotensive activity: (S)-(+)-1-(2-aminopropyl)-8,9-dihydropyrano[3,2-e]indole. Abstract: Serotonin 5-HT2 receptor agonists have recently been shown to be effective in lowering intraocular pressure in nonhuman primates and represent a potential new class of antiglaucoma agents. As part of an effort to identify new selective agonists at this receptor, we have found that (S)-(+)-1-(2-aminopropyl)-8,9-dihydropyrano[3,2-e]indole (AL-373... aid5474.table aid5474.tbin
5475 2 Title: Synthesis and structure-affinity relationship investigations of 5-heteroaryl-substituted analogues of the antipsychotic sertindole. A new class of highly selective alpha(1) adrenoceptor antagonists. Abstract: A new class of 5-heteroaryl-substituted 1-(4-fluorophenyl)-3-(4-piperidinyl)-1H-indoles as highly selective and potentially CNS-active alpha 1-adrenoceptor antagonists is described. The compounds are derived from the antipsychotic sertindole. The structure-affinity relationships of t... aid5475.table aid5475.tbin
5476 71 Title: Syntheses and binding studies of new [(aryl)(aryloxy)methyl]piperidine derivatives and related compounds as potential antidepressant drugs with high affinity for serotonin (5-HT) and norepinephrine (NE) transporters. Abstract: In a wide search program toward new, efficient, and fast-acting antidepressant drugs, we have prepared series of new compounds having an (aryl)(aryloxy)methyl moiety linked directly or through a methylene chain to different substituted and unsubstituted cycles (isoq... aid5476.table aid5476.tbin
5477 30 Title: Serotonin 5-HT2 receptor, dopamine D2 receptor, and alpha 1 adrenoceptor antagonists. Conformationally flexible analogues of the atypical antipsychotic sertindole. Abstract: Conformationally flexible analogues of the atypical antipsychotic sertindole (1-[2-[4-[5-chloro -1-(4-fluorophenyl)-1H-indol-3-yl]-4-piperidinyl]ethyl]-2-imidazolidi non e) were synthesized. Replacement of the 4-piperidinyl ring in sertindole by a 2-(methylamino)ethoxy group or a 2-(methylamino)ethyl group (e.g. 1-[2-... aid5477.table aid5477.tbin
5478 19 Title: Structure-activity relationship studies on the 5-HT(1A) receptor affinity of 1-phenyl-4-[omega-(alpha- or beta-tetralinyl)alkyl]piperazines. 4. Abstract: The synthesis of 1-phenylpiperazines, linked in the alpha or beta position of the tetralin moiety on the terminal part of the N-4 alkyl chain, and their radioligand binding affinities for 5-HT(1A), 5-HT(2A), D-1, D-2, alpha1, and alpha2 receptors along with SAR studies on the 5-HT(1A) receptor are reported. Several changes have been carr... aid5478.table aid5478.tbin
5479 32 Title: Benzisoxazole- and benzisothiazole-3-carboxamides as potential atypical antipsychotic agents. Abstract: A series of benzisoxazole- and benzisothiazole-3-carboxamides has been prepared and tested for potential antipsychotic activity. In general, the compounds showed an affinity for dopamine D2 and serotonin 5HT2A and 5HT1A receptors. Several members of this series have demonstrated activity in animal models predictive of potential antipsychotic activity. In addition, compounds 18, 19, 22, ... aid5479.table aid5479.tbin
5480 2 Title: Effect of modifications of the alkylpiperazine moiety of trazodone on 5HT2A and alpha1 receptor binding affinity. Abstract: A series of triazolopyridine derivatives (compounds 2a-l) were synthesized in order to explore the effect of modifications of the alkylpiperazine moiety of trazodone (fragment A) on binding affinity for 5HT2A and alpha1 receptors. All of the synthesized compounds show a decrease of affinity for both 5HT2A and alpha1 receptors, as compared to trazodone, with the excep... aid5480.table aid5480.tbin
5481 5 Compound was tested for its ability to displace [3H]DOB from 5-hydroxytryptamine 2A receptor in rat cortex homogenates aid5481.table aid5481.tbin
5482 5 Title: Effect of modifications of the alkylpiperazine moiety of trazodone on 5HT2A and alpha1 receptor binding affinity. Abstract: A series of triazolopyridine derivatives (compounds 2a-l) were synthesized in order to explore the effect of modifications of the alkylpiperazine moiety of trazodone (fragment A) on binding affinity for 5HT2A and alpha1 receptors. All of the synthesized compounds show a decrease of affinity for both 5HT2A and alpha1 receptors, as compared to trazodone, with the excep... aid5482.table aid5482.tbin
5483 16 Title: New (sulfonyloxy)piperazinyldibenzazepines as potential atypical antipsychotics: chemistry and pharmacological evaluation. Abstract: A series of 2- or 8-trifluoromethylsulfonyloxy (TfO) and 2- or 8-methylsulfonyloxy (MsO) 11-piperazinyldibenzodiazepines, -oxazepines, and -thiazepines were synthesized and evaluated in pharmacological models for their potential clozapine-like properties. In receptor binding assays, the 2-TfO analogues (18a, GMC2-83; 24, GMC3-06; and previously reported GMC1... aid5483.table aid5483.tbin
5484 21 Title: Synthesis and pharmacological evaluation of 1-[(1,2-diphenyl-1H-4-imidazolyl)methyl]-4-phenylpiperazines with clozapine-like mixed activities at dopamine D(2), serotonin, and GABA(A) receptors. Abstract: A series of 18 1-[(1,2-diphenyl-1H-4-imidazolyl)methyl]-4-piperazines (1a-r) were designed and synthesized as possible ligands with mixed dopamine (DA) D(2)/serotonin 5-HT(1A) affinity, with the aim of identifying novel compounds with neurochemical and pharmacological properties similar t... aid5484.table aid5484.tbin
5485 12 Title: 7-[3-(1-piperidinyl)propoxy]chromenones as potential atypical antipsychotics. 2. Pharmacological profile of 7-[3-[4-(6-fluoro-1, 2-benzisoxazol-3-yl)-piperidin-1-yl]propoxy]-3-(hydroxymeth yl)chromen -4-one (abaperidone, FI-8602). Abstract: A series of novel 7-[3-(1-piperidinyl)propoxy]chromenones was synthesized and tested as potential antipsychotics in several in vitro and in vivo assays. The compounds possessed good affinity for D2 receptors, together with a greater affinity for 5-HT2 ... aid5485.table aid5485.tbin
5486 3 Title: [[(Arylpiperazinyl)alkyl]thio]thieno[2,3-d]pyrimidinone derivatives as high-affinity, selective 5-HT1A receptor ligands. Abstract: A series of 2-[[(4-aryl-1-piperazinyl)alkyl]thio]thieno[2,3-d]pyrimidin-4 (1H)-one and 3-substituted 2-[[(4-aryl-1-piperazinyl)alky]thio]thieno[2,3-d]pyrimidin-4 (3H)-one derivatives was prepared and evaluated for in vitro 5-HT1A receptor affinity by radioligand binding assays; the selectivity for 5-HT1A receptors rather than alpha 1-adrenoceptors was also exa... aid5486.table aid5486.tbin
5487 11 Title: A novel and selective 5-HT2 receptor agonist with ocular hypotensive activity: (S)-(+)-1-(2-aminopropyl)-8,9-dihydropyrano[3,2-e]indole. Abstract: Serotonin 5-HT2 receptor agonists have recently been shown to be effective in lowering intraocular pressure in nonhuman primates and represent a potential new class of antiglaucoma agents. As part of an effort to identify new selective agonists at this receptor, we have found that (S)-(+)-1-(2-aminopropyl)-8,9-dihydropyrano[3,2-e]indole (AL-373... aid5487.table aid5487.tbin
5488 27 Title: Synthesis, pharmacological evaluation, and structure-activity relationship and quantitative structure-activity relationship studies on novel derivatives of 2,4-diamino-6,7-dimethoxyquinazoline alpha1-adrenoceptor antagonists. Abstract: A new series of novel piperazine and non-piperazine derivatives of 2, 4-diamino-6,7-dimethoxyquinazoline was synthesized and evaluated for binding affinity toward alpha1-adrenergic and other G-protein-coupled aminergic receptors. The alpha1-adrenoceptor (AR... aid5488.table aid5488.tbin
5489 6 Title: Novel and highly potent 5-HT3 receptor agonists based on a pyrroloquinoxaline structure. Abstract: The synthesis and the biological evaluation of a series of novel pyrroloquinoxaline derivatives are described. In binding studies several compounds proved to be potent and selective 5-HT3 receptor ligands. The most active pyrroloquinoxalines, 11d and 11e, showed a subnanomolar affinity for 5-HT3 receptor and were able to functionally discriminate the central and peripheral 5-HT3 receptor, be... aid5489.table aid5489.tbin
5490 9 Title: Synthesis and pharmacological evaluation of triflate-substituted analogues of clozapine: identification of a novel atypical neuroleptic. Abstract: The trifluoromethanesulfonyloxy (TfO) analogues 3 and 4 of 8-chloro-11-(4-methyl-1-piperazinyl)-5H-dibenzo[b,e][1,4]diazepine (clozapine, 1) and its 2-chloro isomer (iso-clozapine, 2), respectively, were synthesized via their OMe and OH analogues with the conventional synthetic method of the tricyclic dibenzodiazepines and evaluated pharmacolog... aid5490.table aid5490.tbin
5491 15 Title: Sigma ligands with subnanomolar affinity and preference for the sigma 2 binding site. 1. 3-(omega-aminoalkyl)-1H-indoles. Abstract: A series of 4-(1H-indol-3-yl)-1-butyl-substituted 4-phenylpiperidines, 4-phenyl-1,2,3,6-tetrahydropyridines, and 4-phenylpiperazines was synthesized. The phenyl group was optionally substituted with 4-fluoro or 2-methoxy substituents. High affinity for both sigma 1 and sigma 2 binding sites was achieved with these compounds. Additionally, these compounds had ... aid5491.table aid5491.tbin
5492 22 Title: Enhanced D1 affinity in a series of piperazine ring substituted 1-piperazino-3-arylindans with potential atypical antipsychotic activity. Abstract: A study of the effect of aromatic substitution on D1 and D2 affinity in a series of previously reported trans-1-piperazino-3-phenylindans shows similar structure-activity relationships for the two receptor sites. 6-Substituted derivatives have affinity for both receptors, and 6-chloro-or 6-fluoro-substituted derivatives show preference for D1 ... aid5492.table aid5492.tbin
5493 13 Title: Effect of modifications of the alkylpiperazine moiety of trazodone on 5HT2A and alpha1 receptor binding affinity. Abstract: A series of triazolopyridine derivatives (compounds 2a-l) were synthesized in order to explore the effect of modifications of the alkylpiperazine moiety of trazodone (fragment A) on binding affinity for 5HT2A and alpha1 receptors. All of the synthesized compounds show a decrease of affinity for both 5HT2A and alpha1 receptors, as compared to trazodone, with the excep... aid5493.table aid5493.tbin
5494 8 Title: Effect of ring fluorination on the pharmacology of hallucinogenic tryptamines. Abstract: A series of fluorinated analogues of the hallucinogenic tryptamines N,N-diethyltryptamine (DET), 4-hydroxy-N,N-dimethyltryptamine (4-OH-DMT, psilocin), and 5-methoxy-DMT was synthesized to investigate possible explanations for the inactivity of 6-fluoro-DET as a hallucinogen and to determine the effects of fluorination on the molecular recognition and activation of these compounds at serotonin recepto... aid5494.table aid5494.tbin
5495 8 Title: Further studies on oxygenated tryptamines with LSD-like activity incorporating a chiral pyrrolidine moiety into the side chain. Abstract: The enantiomers of 3-(N-methylpyrrolidin-2-ylmethyl)-5-methoxyindole, 1, and 3-(N-methylpyrrolidin-2-ylmethyl)-4-hydoxyindole, 3, were prepared using an asymmetric synthesis that employed (+)- or (-)-proline. A new approach was developed that had certain advantages over the synthesis originally reported for the isomers of 1. (+/-)-3-(N-Methylpyrrolidin-... aid5495.table aid5495.tbin
5496 8 Title: Further studies on oxygenated tryptamines with LSD-like activity incorporating a chiral pyrrolidine moiety into the side chain. Abstract: The enantiomers of 3-(N-methylpyrrolidin-2-ylmethyl)-5-methoxyindole, 1, and 3-(N-methylpyrrolidin-2-ylmethyl)-4-hydoxyindole, 3, were prepared using an asymmetric synthesis that employed (+)- or (-)-proline. A new approach was developed that had certain advantages over the synthesis originally reported for the isomers of 1. (+/-)-3-(N-Methylpyrrolidin-... aid5496.table aid5496.tbin
5497 16 Title: New arylpiperazine 5-HT(1A) receptor ligands containing the pyrimido[2,1-f]purine fragment: synthesis, in vitro, and in vivo pharmacological evaluation. Abstract: New 1H,3H-pyrimido[2,1-f]purine-2,4-dione derivatives of arylpiperazine (11-22) were prepared and evaluated in vitro for their affinity for 5-HT(1A), 5-HT(2A), alpha(1), and D(2) receptors. The tested compounds showed high affinity for 5-HT(1A) and alpha(1) receptors (K(i) = 1.1-87 and 10-62 nM, respectively) and moderate to low... aid5497.table aid5497.tbin
5498 1 Title: Novel potent and selective central 5-HT3 receptor ligands provided with different intrinsic efficacy. 1. Mapping the central 5-HT3 receptor binding site by arylpiperazine derivatives. Abstract: Synthesis and pharmacological evaluation of a series of condensed quinoline and pyridine derivatives bearing a N-methylpiperazine moiety attached to the 2-position of the quinoline or pyridine nucleus are described. 5-HT receptor binding studies revealed subnanomolar affinity for the 5-HT3 receptor... aid5498.table aid5498.tbin
5499 30 Title: Synthesis and structure-affinity relationship investigations of 5-heteroaryl-substituted analogues of the antipsychotic sertindole. A new class of highly selective alpha(1) adrenoceptor antagonists. Abstract: A new class of 5-heteroaryl-substituted 1-(4-fluorophenyl)-3-(4-piperidinyl)-1H-indoles as highly selective and potentially CNS-active alpha 1-adrenoceptor antagonists is described. The compounds are derived from the antipsychotic sertindole. The structure-affinity relationships of t... aid5499.table aid5499.tbin
5500 3 Title: Novel potent and selective central 5-HT3 receptor ligands provided with different intrinsic efficacy. 1. Mapping the central 5-HT3 receptor binding site by arylpiperazine derivatives. Abstract: Synthesis and pharmacological evaluation of a series of condensed quinoline and pyridine derivatives bearing a N-methylpiperazine moiety attached to the 2-position of the quinoline or pyridine nucleus are described. 5-HT receptor binding studies revealed subnanomolar affinity for the 5-HT3 receptor... aid5500.table aid5500.tbin
5501 2 Title: Dihydrobenzofuran analogues of hallucinogens. 4. Mescaline derivatives. Abstract: Dihydrobenzofuran and tetrahydrobenzodifuran functionalities were employed as conformationally restricted bioisosteres of the aromatic methoxy groups in the prototypical hallucinogen, mescaline (1). Thus, 4-(2-aminoethyl)-6,7-dimethoxy-2,3-dihydrobenzofuran hydrochloride (8) and 1-(8-methoxy-2,3,5,6-tetrahydrobenzo[1,2-b:5,4-b']difuran-4-yl)-2- aminoethane hydrochloride (9) were prepared and evaluated along ... aid5501.table aid5501.tbin
5502 1 Title: Dihydrobenzofuran analogues of hallucinogens. 4. Mescaline derivatives. Abstract: Dihydrobenzofuran and tetrahydrobenzodifuran functionalities were employed as conformationally restricted bioisosteres of the aromatic methoxy groups in the prototypical hallucinogen, mescaline (1). Thus, 4-(2-aminoethyl)-6,7-dimethoxy-2,3-dihydrobenzofuran hydrochloride (8) and 1-(8-methoxy-2,3,5,6-tetrahydrobenzo[1,2-b:5,4-b']difuran-4-yl)-2- aminoethane hydrochloride (9) were prepared and evaluated along ... aid5502.table aid5502.tbin
5503 7 Title: Binding of 5H-dibenzo[a,d]cycloheptene and dibenz[b,f]oxepin analogues of clozapine to dopamine and serotonin receptors. Abstract: Series of 5,11-dicarbo- and 11-carbo-5-oxy-10-(1-alkyl-1,2,3,6-tetrahydro-4 pyridinyl) analogues and a 11-carbo-5-oxy-10-(1-methyl-4-piperidinyl) analogue of the atypical antipsychotic agent clozapine were prepared and tested for binding to the dopamine D-2L and D-4 and serotonin S-2A and S-2C receptors. Some of these analogues were found to have dopamine D-2L... aid5503.table aid5503.tbin
5504 8 Title: Binding of 5H-dibenzo[a,d]cycloheptene and dibenz[b,f]oxepin analogues of clozapine to dopamine and serotonin receptors. Abstract: Series of 5,11-dicarbo- and 11-carbo-5-oxy-10-(1-alkyl-1,2,3,6-tetrahydro-4 pyridinyl) analogues and a 11-carbo-5-oxy-10-(1-methyl-4-piperidinyl) analogue of the atypical antipsychotic agent clozapine were prepared and tested for binding to the dopamine D-2L and D-4 and serotonin S-2A and S-2C receptors. Some of these analogues were found to have dopamine D-2L... aid5504.table aid5504.tbin
5505 3 Title: Application of similarity matrices and genetic neural networks in quantitative structure-activity relationships of 2- or 4-(4-Methylpiperazino)pyrimidines: 5-HT(2A) receptor antagonists. Abstract: Antagonists of the 5-HT(2A) receptor are being used to treat many psychiatric disorders. The present work focuses on a group of 27 antagonists possessing varying affinities toward the receptor. These are 26 title compounds and clozapine as a reference antagonist. The active conformers of the con... aid5505.table aid5505.tbin
5506 5 Title: Application of similarity matrices and genetic neural networks in quantitative structure-activity relationships of 2- or 4-(4-Methylpiperazino)pyrimidines: 5-HT(2A) receptor antagonists. Abstract: Antagonists of the 5-HT(2A) receptor are being used to treat many psychiatric disorders. The present work focuses on a group of 27 antagonists possessing varying affinities toward the receptor. These are 26 title compounds and clozapine as a reference antagonist. The active conformers of the con... aid5506.table aid5506.tbin
5507 6 Title: Substituted naphthofurans as hallucinogenic phenethylamine-ergoline hybrid molecules with unexpected muscarinic antagonist activity. Abstract: A series of substituted racemic naphthofurans were synthesized as &quot;hybrid&quot; molecules of the two major prototypical hallucinogenic drug classes, the phenethylamines and the tryptamines/ergolines. Although it was hypothesized that these new agents might possess high affinity for the serotonin 5-HT2A/2C receptor subtypes, unexpected affinity... aid5507.table aid5507.tbin
5508 11 Title: Binding of 5H-dibenzo[b,e][1,4]diazepine and chiral 5H-dibenzo[a,d]cycloheptene analogues of clozapine to dopamine and serotonin receptors. Abstract: 5H-Dibenzo[b,e][1,4]diazepine, dibenz[b,f]oxepin, and 5H-dibenzo[a,d]cycloheptene analogues of clozapine [8-chloro-11-(4-methylpiperazino)-5H- dibenzo[b,e][1,4]diazepine] were evaluated for their binding affinity to dopamine D-1, D-2, and D-4 and serotonin S-2A (5-HT2A), S-2C (5-HT2C) and S-3 (5-HT3) receptors. The diazepine analogues displa... aid5508.table aid5508.tbin
5509 11 Title: Binding of 5H-dibenzo[b,e][1,4]diazepine and chiral 5H-dibenzo[a,d]cycloheptene analogues of clozapine to dopamine and serotonin receptors. Abstract: 5H-Dibenzo[b,e][1,4]diazepine, dibenz[b,f]oxepin, and 5H-dibenzo[a,d]cycloheptene analogues of clozapine [8-chloro-11-(4-methylpiperazino)-5H- dibenzo[b,e][1,4]diazepine] were evaluated for their binding affinity to dopamine D-1, D-2, and D-4 and serotonin S-2A (5-HT2A), S-2C (5-HT2C) and S-3 (5-HT3) receptors. The diazepine analogues displa... aid5509.table aid5509.tbin
5510 2 Title: A novel (benzodifuranyl)aminoalkane with extremely potent activity at the 5-HT2A receptor. aid5510.table aid5510.tbin
5511 2 Title: A novel fluorinated tryptamine with highly potent serotonin 5-HT1A receptor agonist properties. Abstract: Synthesis and biological evaluation of a novel fluorinated tryptamine analogue are described. This new compound 1-(4-fluoro-5-methoxyindol-3-yl)pyrrolidine (2) was found to be a potent serotonin 5-HT1A agonist. aid5511.table aid5511.tbin
5512 27 Title: Ketanserin analogues: the effect of structural modification on 5-HT2 serotonin receptor binding. Abstract: Ketanserin (1) is a fairly selective 5-HT2 antagonist that binds both at 5-HT2A and 5-HT2C receptors. A previous structure-affinity relationship study revealed that the structure of the piperidine-containing ketanserin molecule could be rather severely abbreviated with little effect on 5-HT2A affinity. The present investigation explores several inconsistencies identified in the earli... aid5512.table aid5512.tbin
5513 20 Title: Syntheses and binding studies of new [(aryl)(aryloxy)methyl]piperidine derivatives and related compounds as potential antidepressant drugs with high affinity for serotonin (5-HT) and norepinephrine (NE) transporters. Abstract: In a wide search program toward new, efficient, and fast-acting antidepressant drugs, we have prepared series of new compounds having an (aryl)(aryloxy)methyl moiety linked directly or through a methylene chain to different substituted and unsubstituted cycles (isoq... aid5513.table aid5513.tbin
5514 7 Title: Exploring the relationship between binding modes of 9-(aminomethyl)-9,10-dihydroanthracene and cyproheptadine analogues at the 5-HT2A serotonin receptor. Abstract: Comparison of the serotonin 5-HT2A receptor affinities of a parallel series of structural analogues of the novel ligand 9-aminomethyl-9,10-dihydroanthracene (AMDA) and a structurally similar prototypical tricyclic amine cyproheptadine suggests that the two agents bind to the receptor in different fashions. Examination of ligand... aid5514.table aid5514.tbin
5515 1 Title: Lysergamides of isomeric 2,4-dimethylazetidines map the binding orientation of the diethylamide moiety in the potent hallucinogenic agent N,N-diethyllysergamide (LSD). Abstract: Lysergic acid amides were prepared from (R,R)-(-)-, (S,S)-(+)-, and cis-2,4-dimethyl azetidine. The dimethylazetidine moiety is considered here to be a rigid analogue of diethylamine, and thus, the target compounds are all conformationally constrained analogues of the potent hallucinogenic agent, N,N-diethyllyserg... aid5515.table aid5515.tbin
5516 9 Title: Exploring the relationship between binding modes of 9-(aminomethyl)-9,10-dihydroanthracene and cyproheptadine analogues at the 5-HT2A serotonin receptor. Abstract: Comparison of the serotonin 5-HT2A receptor affinities of a parallel series of structural analogues of the novel ligand 9-aminomethyl-9,10-dihydroanthracene (AMDA) and a structurally similar prototypical tricyclic amine cyproheptadine suggests that the two agents bind to the receptor in different fashions. Examination of ligand... aid5516.table aid5516.tbin
5517 19 Title: 1-[2-methoxy-5-(3-phenylpropyl)]-2-aminopropane unexpectedly shows 5-HT(2A) serotonin receptor affinity and antagonist character. Abstract: Certain phenylethylamines, such as 1-(4-bromo-2,5-dimethoxyphenyl)-2-aminopropane (DOB; 1a), are high-affinity 5-HT(2) agonists. Previous structure-affinity studies have concluded that both the 2,5-dimethoxy substitution pattern and the nature of substituents at the 4-position are important determinants of high affinity. We recently demonstrated that ... aid5517.table aid5517.tbin
5518 29 Title: 1-[2-methoxy-5-(3-phenylpropyl)]-2-aminopropane unexpectedly shows 5-HT(2A) serotonin receptor affinity and antagonist character. Abstract: Certain phenylethylamines, such as 1-(4-bromo-2,5-dimethoxyphenyl)-2-aminopropane (DOB; 1a), are high-affinity 5-HT(2) agonists. Previous structure-affinity studies have concluded that both the 2,5-dimethoxy substitution pattern and the nature of substituents at the 4-position are important determinants of high affinity. We recently demonstrated that ... aid5518.table aid5518.tbin
5519 1 Title: Chromeno[3,4-c]pyridin-5-ones: selective human dopamine D4 receptor antagonists as potential antipsychotic agents. Abstract: The discovery of a series of chromeno[3,4-c]pyridin-5-ones with selective affinity for the dopamine D4 receptor is described. Target compounds were tested for binding to cloned human dopamine D2, D3, and D4 receptor subtypes expressed in Chinese hamster ovary (CHO) K-1 cells. Several compounds demonstrated single digit nanomolar Ki values for binding to the D4 recep... aid5519.table aid5519.tbin
5520 15 Title: Enantiospecific synthesis and pharmacological evaluation of a series of super-potent, conformationally restricted 5-HT(2A/2C) receptor agonists. Abstract: The affinity of ligands for either the 5-HT(2A) or 5-HT(2C) agonist binding site was enhanced by modification of the 2,5-oxygen substituents that are found in typical hallucinogenic amphetamines such as 4b (DOB). Restriction of the conformationally flexible 2,5-dimethoxy substituents into fused dihydrofuran rings generally resulted in i... aid5520.table aid5520.tbin
5521 22 Title: 4-(Phenylsulfonyl)piperidines: novel, selective, and bioavailable 5-HT(2A) receptor antagonists. Abstract: On the basis of a spirocyclic ether screening lead, a series of acyclic sulfones have been identified as high-affinity, selective 5-HT(2A) receptor antagonists. Bioavailability lacking in the parent, 1-(2-(2,4-difluorophenyl)ethyl)-4-(phenylsulfonyl)piperidine (12), was introduced by using stability toward rat liver microsomes as a predictor of bioavailability. By this means, the 4-c... aid5521.table aid5521.tbin
5522 4 Title: 7-[3-(1-piperidinyl)propoxy]chromenones as potential atypical antipsychotics. 2. Pharmacological profile of 7-[3-[4-(6-fluoro-1, 2-benzisoxazol-3-yl)-piperidin-1-yl]propoxy]-3-(hydroxymeth yl)chromen -4-one (abaperidone, FI-8602). Abstract: A series of novel 7-[3-(1-piperidinyl)propoxy]chromenones was synthesized and tested as potential antipsychotics in several in vitro and in vivo assays. The compounds possessed good affinity for D2 receptors, together with a greater affinity for 5-HT2 ... aid5522.table aid5522.tbin
5523 1 Title: Dihydrobenzofuran analogues of hallucinogens. 3. Models of 4-substituted (2,5-dimethoxyphenyl)alkylamine derivatives with rigidified methoxy groups. Abstract: Tetrahydrobenzodifuran functionalities were employed as conformationally restricted bioisosteres of the aromatic methoxy groups in prototypical hallucinogenic phenylalkylamines 1 and 2. Thus, a series of 8-substituted 1-(2,3,6,7-tetrahydrobenzo[1,2-b:4,5-b']difuran-4-yl)-2-aminoal kanes (7a-e) were prepared and evaluated for activit... aid5523.table aid5523.tbin
5524 2 Title: Synthesis and structure-affinity relationships of 1-[omega-(4-aryl-1-piperazinyl)alkyl]-1-aryl ketones as 5-HT(7) receptor ligands. Abstract: Structural requirements for 5-HT(7) receptor affinity and selectivity over that for the 5-HT(1A) receptor were studied on a series of 1-[omega-(4-aryl-1-piperazinyl)alkyl]-1-aryl ketones. The presence of a hydroxy or methoxy substituent on aryl ketone moiety, alkyl chain length, and the nature of N-1-piperazine substituent were explored. 6-[4-(3-Ben... aid5524.table aid5524.tbin
5525 1 Title: Pyrazino[1,2-a]indoles as novel high-affinity and selective imidazoline I(2) receptor ligands. Abstract: 1,2,3,4-Tetrahydropyrazino[1,2-a]indoles are described as a novel class of I(2) imidazoline receptor ligands. In particular, 8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole (8-OMe THPI; 3c) binds with high affinity at I(2) imidazoline receptors (K(i)=6.2 nM) and with exceptional (&gt; or =1000-fold) selectivity relative to its affinity for I(1) imidazoline receptors, alpha(2)adrenerg... aid5525.table aid5525.tbin
5526 2 Title: (R)-(+)-2-[[[3-(Morpholinomethyl)-2H-chromen-8-yl]oxy]methyl] morpholine methanesulfonate: a new selective rat 5-hydroxytryptamine1B receptor antagonist. Abstract: In the search for new 5-hydroxytryptamine (5-HT) receptor antagonists it was found that the compound (R)-(+)-2-[[[3-(morpholinomethyl)-2H-chromen-8-yl]oxy] methyl] morpholine methanesulfonate, (R)-25, is a selective rat 5-hydroxytryptamine1B (r5-HT1B) receptor antagonist. The binding profile showed a 13-fold preference for r5-H... aid5526.table aid5526.tbin
5527 2 Title: Novel potent and selective central 5-HT3 receptor ligands provided with different intrinsic efficacy. 2. Molecular basis of the intrinsic efficacy of arylpiperazine derivatives at the central 5-HT3 receptors. Abstract: Novel 5-HT3 receptor ligands were designed and synthesized with the aim of obtaining deeper insight into the molecular basis of the intrinsic efficacy of arylpiperazines interacting with the central 5-HT3 receptor. The newly synthesized compounds and some previously publish... aid5527.table aid5527.tbin
5528 2 Title: Novel potent and selective central 5-HT3 receptor ligands provided with different intrinsic efficacy. 2. Molecular basis of the intrinsic efficacy of arylpiperazine derivatives at the central 5-HT3 receptors. Abstract: Novel 5-HT3 receptor ligands were designed and synthesized with the aim of obtaining deeper insight into the molecular basis of the intrinsic efficacy of arylpiperazines interacting with the central 5-HT3 receptor. The newly synthesized compounds and some previously publish... aid5528.table aid5528.tbin
5529 1 Title: Design and synthesis of S-(-)-2-[[4-(napht-1-yl)piperazin-1-yl]methyl]-1,4-dioxoperhydropyrrolo[1,2-a]pyrazine (CSP-2503) using computational simulation. A 5-HT1A receptor agonist. Abstract: Based on a computational model for 5-HT(1A)R-ligand interaction and QSAR studies, we have designed and synthesized a new series of arylpiperazines 2-8 which exhibit high 5-HT(1A)R affinity and selectivity over alpha(1)-adrenergic receptors. Among them, compound CSP-2503 (4) has been pharmacologically ... aid5529.table aid5529.tbin
5530 3 Title: Binding of beta-carbolines at imidazoline I2 receptors: a structure-affinity investigation. Abstract: A series of ring-substituted (i.e., methoxy and bromo) 3,4-dihydro- and 1,2,3,4-tetrahydro-beta-carbolines was examined at I(2) imidazoline receptors, as was the effect of ring-opening, ring-expansion, and translocation of the piperidinyl nitrogen atom. Several analogues were identified that bind with K(i) &lt;20 nM at I(2) sites and with reduced affinity at alpha(2)-adrenergic receptors,... aid5530.table aid5530.tbin
5531 15 Title: Ring substituted analogues of 5-aminomethyl-10,11-dihydro-dibenzo[a,d]cycloheptene (AMDH): potential modes of binding to the 5-HT(2A) receptor. Abstract: The synthesis and 5-HT(2A) receptor affinities of 2-substituted-5-aminomethyl-10,11-dihydrodibenzo[a,d]cycloheptene (AMDH) derivatives are described. Comparison of the effects of substitution on affinities allowed assignment of potential binding modes in comparison with DOB-like agonists/antagonists and 3-substituted 1-(aminomethyl)-9,10... aid5531.table aid5531.tbin
5532 1 Title: Pyrazino[1,2-a]indoles as novel high-affinity and selective imidazoline I(2) receptor ligands. Abstract: 1,2,3,4-Tetrahydropyrazino[1,2-a]indoles are described as a novel class of I(2) imidazoline receptor ligands. In particular, 8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole (8-OMe THPI; 3c) binds with high affinity at I(2) imidazoline receptors (K(i)=6.2 nM) and with exceptional (&gt; or =1000-fold) selectivity relative to its affinity for I(1) imidazoline receptors, alpha(2)adrenerg... aid5532.table aid5532.tbin
5533 5 Title: Dihydrobenzofuran analogues of hallucinogens. 3. Models of 4-substituted (2,5-dimethoxyphenyl)alkylamine derivatives with rigidified methoxy groups. Abstract: Tetrahydrobenzodifuran functionalities were employed as conformationally restricted bioisosteres of the aromatic methoxy groups in prototypical hallucinogenic phenylalkylamines 1 and 2. Thus, a series of 8-substituted 1-(2,3,6,7-tetrahydrobenzo[1,2-b:4,5-b']difuran-4-yl)-2-aminoal kanes (7a-e) were prepared and evaluated for activit... aid5533.table aid5533.tbin
5534 1 Title: Dihydrobenzofuran analogues of hallucinogens. 3. Models of 4-substituted (2,5-dimethoxyphenyl)alkylamine derivatives with rigidified methoxy groups. Abstract: Tetrahydrobenzodifuran functionalities were employed as conformationally restricted bioisosteres of the aromatic methoxy groups in prototypical hallucinogenic phenylalkylamines 1 and 2. Thus, a series of 8-substituted 1-(2,3,6,7-tetrahydrobenzo[1,2-b:4,5-b']difuran-4-yl)-2-aminoal kanes (7a-e) were prepared and evaluated for activit... aid5534.table aid5534.tbin
5535 26 Title: 1-[4-(3-Phenylalkyl)phenyl]-2-aminopropanes as 5-HT(2A) partial agonists. Abstract: Phenylalkylamines such as 1-(4-bromo-2, 5-dimethoxyphenyl)-2-aminopropane (DOB; 1a) and its corresponding iodo derivative DOI (2) are commonly used 5-HT(2) serotonin agonists. Previous studies have established that the 2,5-dimethoxy substitution pattern found in these compounds is optimal for high affinity at 5-HT(2A) receptors and that substituents at the 4-position can modulate affinity over a wide range... aid5535.table aid5535.tbin
5536 4 Title: Binding of beta-carbolines at 5-HT(2) serotonin receptors. Abstract: A series of ring-substituted (i.e., methoxy and bromo) 3,4-dihydro- and 1,2,3,4-tetrahydro-beta-carbolines was examined at 5-HT(2A) and 5-HT(2C) serotonin receptors. Whereas most of the methoxy-substituted derivatives typically displayed affinities similar to their unsubstituted parents, certain (particularly 8-substituted) bromo derivatives displayed enhanced affinity. A binding profile was obtained for selected beta-ca... aid5536.table aid5536.tbin
5537 3 Title: Lysergamides of isomeric 2,4-dimethylazetidines map the binding orientation of the diethylamide moiety in the potent hallucinogenic agent N,N-diethyllysergamide (LSD). Abstract: Lysergic acid amides were prepared from (R,R)-(-)-, (S,S)-(+)-, and cis-2,4-dimethyl azetidine. The dimethylazetidine moiety is considered here to be a rigid analogue of diethylamine, and thus, the target compounds are all conformationally constrained analogues of the potent hallucinogenic agent, N,N-diethyllyserg... aid5537.table aid5537.tbin
5538 1 Title: Binding of beta-carbolines at 5-HT(2) serotonin receptors. Abstract: A series of ring-substituted (i.e., methoxy and bromo) 3,4-dihydro- and 1,2,3,4-tetrahydro-beta-carbolines was examined at 5-HT(2A) and 5-HT(2C) serotonin receptors. Whereas most of the methoxy-substituted derivatives typically displayed affinities similar to their unsubstituted parents, certain (particularly 8-substituted) bromo derivatives displayed enhanced affinity. A binding profile was obtained for selected beta-ca... aid5538.table aid5538.tbin
5539 11 Title: Binding of beta-carbolines at 5-HT(2) serotonin receptors. Abstract: A series of ring-substituted (i.e., methoxy and bromo) 3,4-dihydro- and 1,2,3,4-tetrahydro-beta-carbolines was examined at 5-HT(2A) and 5-HT(2C) serotonin receptors. Whereas most of the methoxy-substituted derivatives typically displayed affinities similar to their unsubstituted parents, certain (particularly 8-substituted) bromo derivatives displayed enhanced affinity. A binding profile was obtained for selected beta-ca... aid5539.table aid5539.tbin
5540 6 Title: Binding of beta-carbolines at 5-HT(2) serotonin receptors. Abstract: A series of ring-substituted (i.e., methoxy and bromo) 3,4-dihydro- and 1,2,3,4-tetrahydro-beta-carbolines was examined at 5-HT(2A) and 5-HT(2C) serotonin receptors. Whereas most of the methoxy-substituted derivatives typically displayed affinities similar to their unsubstituted parents, certain (particularly 8-substituted) bromo derivatives displayed enhanced affinity. A binding profile was obtained for selected beta-ca... aid5540.table aid5540.tbin
5541 19 Title: Binding of beta-carbolines at 5-HT(2) serotonin receptors. Abstract: A series of ring-substituted (i.e., methoxy and bromo) 3,4-dihydro- and 1,2,3,4-tetrahydro-beta-carbolines was examined at 5-HT(2A) and 5-HT(2C) serotonin receptors. Whereas most of the methoxy-substituted derivatives typically displayed affinities similar to their unsubstituted parents, certain (particularly 8-substituted) bromo derivatives displayed enhanced affinity. A binding profile was obtained for selected beta-ca... aid5541.table aid5541.tbin
5542 1 Title: Binding of beta-carbolines at 5-HT(2) serotonin receptors. Abstract: A series of ring-substituted (i.e., methoxy and bromo) 3,4-dihydro- and 1,2,3,4-tetrahydro-beta-carbolines was examined at 5-HT(2A) and 5-HT(2C) serotonin receptors. Whereas most of the methoxy-substituted derivatives typically displayed affinities similar to their unsubstituted parents, certain (particularly 8-substituted) bromo derivatives displayed enhanced affinity. A binding profile was obtained for selected beta-ca... aid5542.table aid5542.tbin
5543 1 Title: Binding of beta-carbolines at 5-HT(2) serotonin receptors. Abstract: A series of ring-substituted (i.e., methoxy and bromo) 3,4-dihydro- and 1,2,3,4-tetrahydro-beta-carbolines was examined at 5-HT(2A) and 5-HT(2C) serotonin receptors. Whereas most of the methoxy-substituted derivatives typically displayed affinities similar to their unsubstituted parents, certain (particularly 8-substituted) bromo derivatives displayed enhanced affinity. A binding profile was obtained for selected beta-ca... aid5543.table aid5543.tbin
5544 1 Title: Current and novel approaches to the drug treatment of schizophrenia. aid5544.table aid5544.tbin
5545 32 Title: Binding of tetrahydrocarboline derivatives at human 5-HT5A receptors. Abstract: On the basis of an earlier finding that 5-methyl-5H-1,2,3,4-tetrahydropyrido[4,3-b]indole (5-methyl-1,2,3,4-tetrahydro-gamma-carboline; 1) binds at murine 5-HT(5A) receptors, preliminary structure-affinity studies were conducted. The present investigation extends these structure-affinity studies using human 5-HT(5A) receptors and examined additional analogues of 1. It was found (a) that there is little intersp... aid5545.table aid5545.tbin
5546 9 Title: Stereoselective LSD-like activity in a series of d-lysergic acid amides of (R)- and (S)-2-aminoalkanes. Abstract: The 3-pentyl-, (R)- and (S)-2-pentyl-, 2-hexyl-, and 2-heptylamides of d-lysergic acid were synthesized and evaluated in biochemical and behavioral assays for LSD-like activity. In radioligand competition studies, the (R)-lysergamides were consistently more potent than the (S)-amides in displacing [3H]ketanserin from 5-HT2A receptors in rat cortical homogenate and in displacin... aid5546.table aid5546.tbin
5547 5 Title: Cyclopentadienyltricarbonylrheniumbenzazepines: synthesis and binding affinity. Abstract: Analogues of the benzazepine dopamine D1 receptor antagonist SCH-23390 incorporating the cyclo-pentadienyltricarbonyl-rhenium (CPTR) moiety were synthesized and evaluated pharmacologically. The CPTR derivatives retained affinity (0.3-2.9 nM) and D1 selectivity of the parent compound, supporting their use as neuropharmacological surrogates for 99mTc-labeled SPECT radiopharmaceuticals. aid5547.table aid5547.tbin
5548 2 Compound was evaluated for binding affinity against 5-hydroxytryptamine 2A receptor using [3H]ketanserin as a radioligand aid5548.table aid5548.tbin
5549 1 Compound was evaluated for binding affinity against 5-hydroxytryptamine 2A receptor using [3H]ketanserin as a radioligand; Not determined aid5549.table aid5549.tbin
5550 3 Title: Translocation of the 5-alkoxy substituent of 2,5-dialkoxyarylalkylamines to the 6-position: effects on 5-HT(2A/2C) receptor affinity. Abstract: Positional modification of 2,5-dimethoxyamphetamine analogues has been studied. Specifically, the 5-alkoxy substituent was translocated to the 6-position of the phenyl nucleus. Methoxy groups were also constrained by incorporation into appended dihydrofuran and furan rings. 2,6-Dimethoxy-4-methylamphetamine had an approximately 3-fold lower affini... aid5550.table aid5550.tbin
5551 1 Title: Translocation of the 5-alkoxy substituent of 2,5-dialkoxyarylalkylamines to the 6-position: effects on 5-HT(2A/2C) receptor affinity. Abstract: Positional modification of 2,5-dimethoxyamphetamine analogues has been studied. Specifically, the 5-alkoxy substituent was translocated to the 6-position of the phenyl nucleus. Methoxy groups were also constrained by incorporation into appended dihydrofuran and furan rings. 2,6-Dimethoxy-4-methylamphetamine had an approximately 3-fold lower affini... aid5551.table aid5551.tbin
5552 1 Title: N1-(Benzenesulfonyl)tryptamines as novel 5-HT6 antagonists. Abstract: N-Benzenesulfonyl-5-methoxy-N,N-dimethyltryptamine (BS/5-OMe DMT; 5) was shown to bind at human 5-HT6 serotonin receptors with high affinity (Ki = 2.3 nM) relative to serotonin (Ki = 78 nM). Structural variation failed to result in significantly enhanced affinity. BS/5-OMe DMT acts as an antagonist of 5-HT-stimulated adenylate cyclase (pA2 = 8.88 nM) and may represent the first member of a novel class of 5-HT6 antagonis... aid5552.table aid5552.tbin
5553 12 Title: Synthesis and pharmacological evaluation of 6-piperidino- and 6-piperazinoalkyl-2(3H)-benzothiazolones as mixed sigma/5-HT(1A) ligands. Abstract: In an effort to produce new pharmacological probes with mixed sigma/5-HT(1A) affinity, we have synthesized a series of 12 original 6-piperidino- or piperazino-alkyl-2(3H)-benzothiazolones and their receptor binding profile (sigma, 5-HT(1A), 5-HT(2A), 5-HT(3), D(2), H(1), and M(1)) was determined. The best mixed sigma/5-HT(1A) affinity profile wa... aid5553.table aid5553.tbin
5554 4 Title: 2-Substituted tryptamines: agents with selectivity for 5-HT(6) serotonin receptors. Abstract: Several 2-alkyl-5-methoxytryptamine analogues were designed and prepared as potential 5-HT(6) serotonin agonists. It was found that 5-HT(6) receptors accommodate small alkyl substituents at the indole 2-position and that the resulting compounds can bind with affinities comparable to that of serotonin. In particular, 2-ethyl-5-methoxy-N, N-dimethyltryptamine (8) binds with high affinity at human 5... aid5554.table aid5554.tbin
5555 1 Title: Synthesis and structure-activity relationships of a new model of arylpiperazines. 1. 2-[[4-(o-methoxyphenyl)piperazin-1-yl]methyl]-1, 3-dioxoperhydroimidazo[1,5-alpha]pyridine: a selective 5-HT1A receptor agonist. Abstract: A series of new bicyclohydantoin-arylpiperazines was prepared and evaluated for affinity at 5-HT1A, alpha 1, and D2 receptors. Most of the compounds showed very low affinity for D2 receptors, and most of them demonstrated moderate to high affinity for 5-HT1A and alpha ... aid5555.table aid5555.tbin
5556 1 Title: Synthesis and structure-activity relationships of a new model of arylpiperazines. 1. 2-[[4-(o-methoxyphenyl)piperazin-1-yl]methyl]-1, 3-dioxoperhydroimidazo[1,5-alpha]pyridine: a selective 5-HT1A receptor agonist. Abstract: A series of new bicyclohydantoin-arylpiperazines was prepared and evaluated for affinity at 5-HT1A, alpha 1, and D2 receptors. Most of the compounds showed very low affinity for D2 receptors, and most of them demonstrated moderate to high affinity for 5-HT1A and alpha ... aid5556.table aid5556.tbin
5557 18 Title: Spiperone: influence of spiro ring substituents on 5-HT2A serotonin receptor binding. Abstract: Spiperone (1) is a widely used pharmacological tool that acts as a potent dopamine D2, serotonin 5-HT1A, and serotonin 5-HT2A antagonist. Although spiperone also binds at 5-HT2C receptors, it is one of the very few agents that display some (ca. 1000-fold) binding selectivity for 5-HT2A versus 5-HT2C receptors and, hence, might serve as a useful template for the development of novel 5-HT2A antag... aid5557.table aid5557.tbin
5558 3 Title: Dopamine D3 and D4 receptor antagonists: synthesis and structure--activity relationships of (S)-(+)-N-(1-Benzyl-3-pyrrolidinyl)-5-chloro-4- [(cyclopropylcarbonyl) amino]-2-methoxybenzamide (YM-43611) and related compounds. Abstract: In this study, we synthesized a series of (S)-N-(3-pyrrolidinyl)benzamide derivatives, 1, 2a-d, 5a-1, and 7, and their enantiomers, (R)-1 and (R)-5c-e, and evaluated their binding affinity for cloned dopamine D2, D3, and D4 receptors and their inhibitory activ... aid5558.table aid5558.tbin
5559 8 Title: Effect of ring fluorination on the pharmacology of hallucinogenic tryptamines. Abstract: A series of fluorinated analogues of the hallucinogenic tryptamines N,N-diethyltryptamine (DET), 4-hydroxy-N,N-dimethyltryptamine (4-OH-DMT, psilocin), and 5-methoxy-DMT was synthesized to investigate possible explanations for the inactivity of 6-fluoro-DET as a hallucinogen and to determine the effects of fluorination on the molecular recognition and activation of these compounds at serotonin recepto... aid5559.table aid5559.tbin
5560 21 Title: Pyrrolo[1,3]benzothiazepine-based atypical antipsychotic agents. Synthesis, structure-activity relationship, molecular modeling, and biological studies. Abstract: The prototypical dopamine and serotonin antagonist (+/-)-7-chloro-9-(4-methylpiperazin-1-yl)-9,10-dihydropyrrolo[2,1-b][1,3]benzothiazepine (5) was resolved into its R and S enantiomers via crystallization of the diastereomeric tartaric acid salts. Binding studies confirmed that the (R)-(-)-enantiomer is a more potent D(2) recep... aid5560.table aid5560.tbin
5561 1 Title: 3-Benzisothiazolylpiperazine derivatives as potential atypical antipsychotic agents. Abstract: A series of substituted phenethyl derivatives of 3-benzisothiazolylpiperazine incorporating potent D2 and 5-HT2A antagonist activity was investigated as an approach to a novel atypical antipsychotic agent. The in vitro profile of 8e from this series is a combination of D2 receptor affinity comparable to the typical antipsychotic agent haloperidol and a 5-HT2A/D2 ratio comparable to the atypical ... aid5561.table aid5561.tbin
5562 1 Title: New pyridobenzodiazepine derivatives: modifications of the basic side chain differentially modulate binding to dopamine (D(4.2), D(2L)) and serotonin (5-HT(2A)) receptors. Abstract: A series of new pyridobenzodiazepines with variation of the basic side chain were synthesized and evaluated for their binding to D(4.2), D(2L), and 5-HT(2A) receptors in comparison with clozapine, haloperidol, and two parent compounds previously described, 8-chloro-6-(4-methyl-1-piperazinyl)-11H-pyrido[2,3-b][... aid5562.table aid5562.tbin
5563 1 Title: New pyridobenzodiazepine derivatives: modifications of the basic side chain differentially modulate binding to dopamine (D(4.2), D(2L)) and serotonin (5-HT(2A)) receptors. Abstract: A series of new pyridobenzodiazepines with variation of the basic side chain were synthesized and evaluated for their binding to D(4.2), D(2L), and 5-HT(2A) receptors in comparison with clozapine, haloperidol, and two parent compounds previously described, 8-chloro-6-(4-methyl-1-piperazinyl)-11H-pyrido[2,3-b][... aid5563.table aid5563.tbin
5564 11 Title: Synthesis of novel 5-substituted 3-amino-3,4-dihydro-2H-1-benzopyran derivatives and their interactions with the 5-HT1A receptor. Abstract: A series of new enantiomerically pure 3-amino-3,4-dihydro-2H-1-benzopyrans (3-aminochromans) has been synthesized from (R)- and (S)-5-methoxy-3-amino-3,4-dihydro-2H-1-benzopyran. The absolute configuration of the respective (R)- and (S)-enantiomers was deduced from X-ray crystallography of (R)-3-(N-isopropylamino)-5-methoxy-3,4-dihydro-2H-1-benzopyran... aid5564.table aid5564.tbin
5565 22 Title: New pyridobenzodiazepine derivatives: modifications of the basic side chain differentially modulate binding to dopamine (D(4.2), D(2L)) and serotonin (5-HT(2A)) receptors. Abstract: A series of new pyridobenzodiazepines with variation of the basic side chain were synthesized and evaluated for their binding to D(4.2), D(2L), and 5-HT(2A) receptors in comparison with clozapine, haloperidol, and two parent compounds previously described, 8-chloro-6-(4-methyl-1-piperazinyl)-11H-pyrido[2,3-b][... aid5565.table aid5565.tbin
5566 1 Title: New pyridobenzodiazepine derivatives: modifications of the basic side chain differentially modulate binding to dopamine (D(4.2), D(2L)) and serotonin (5-HT(2A)) receptors. Abstract: A series of new pyridobenzodiazepines with variation of the basic side chain were synthesized and evaluated for their binding to D(4.2), D(2L), and 5-HT(2A) receptors in comparison with clozapine, haloperidol, and two parent compounds previously described, 8-chloro-6-(4-methyl-1-piperazinyl)-11H-pyrido[2,3-b][... aid5566.table aid5566.tbin
5567 5 Title: New pyridobenzodiazepine derivatives: modifications of the basic side chain differentially modulate binding to dopamine (D(4.2), D(2L)) and serotonin (5-HT(2A)) receptors. Abstract: A series of new pyridobenzodiazepines with variation of the basic side chain were synthesized and evaluated for their binding to D(4.2), D(2L), and 5-HT(2A) receptors in comparison with clozapine, haloperidol, and two parent compounds previously described, 8-chloro-6-(4-methyl-1-piperazinyl)-11H-pyrido[2,3-b][... aid5567.table aid5567.tbin
5568 12 Title: Influence of the terminal amide fragment geometry in some 3-arylideneindolin-2(1H)-ones on their 5-HT1A/5-HT2A receptor activity. Abstract: Several 1,4-disubstituted arylpiperazine derivatives of 3-arylideneindolin-2(1H)-one (Z and E isomers) were tested for their 5-HT1A and 5-HT2A receptor activity in vitro and in vivo. It was shown that introduction of 3-arylidene substituents to indolin-2(1H)-one moiety allowed to change the mixed 5-HT1A/5-HT2A receptor ligands to 5-HT2A ones with anta... aid5568.table aid5568.tbin
5569 19 Title: Pyrrolo[1,3]benzothiazepine-based serotonin and dopamine receptor antagonists. Molecular modeling, further structure-activity relationship studies, and identification of novel atypical antipsychotic agents. Abstract: Recently we reported the pharmacological characterization of the 9,10-dihydropyrrolo[1,3]benzothiazepine derivative (S)-(+)-8 as a novel atypical antipsychotic agent. This compound had an optimum pK(i) 5-HT(2A)/D(2) ratio of 1.21 (pK(i) 5-HT(2A) = 8.83; pK(i) D(2) = 7.79). Th... aid5569.table aid5569.tbin
5570 1 Title: Pyrrolo[1,3]benzothiazepine-based serotonin and dopamine receptor antagonists. Molecular modeling, further structure-activity relationship studies, and identification of novel atypical antipsychotic agents. Abstract: Recently we reported the pharmacological characterization of the 9,10-dihydropyrrolo[1,3]benzothiazepine derivative (S)-(+)-8 as a novel atypical antipsychotic agent. This compound had an optimum pK(i) 5-HT(2A)/D(2) ratio of 1.21 (pK(i) 5-HT(2A) = 8.83; pK(i) D(2) = 7.79). Th... aid5570.table aid5570.tbin
5571 11 Title: A novel and selective 5-HT2 receptor agonist with ocular hypotensive activity: (S)-(+)-1-(2-aminopropyl)-8,9-dihydropyrano[3,2-e]indole. Abstract: Serotonin 5-HT2 receptor agonists have recently been shown to be effective in lowering intraocular pressure in nonhuman primates and represent a potential new class of antiglaucoma agents. As part of an effort to identify new selective agonists at this receptor, we have found that (S)-(+)-1-(2-aminopropyl)-8,9-dihydropyrano[3,2-e]indole (AL-373... aid5571.table aid5571.tbin
5572 11 Displacement of [3H]ketanserin from 5-hydroxytryptamine 2A receptor of rat brain cortex aid5572.table aid5572.tbin
5573 11 Title: 3-Benzisothiazolylpiperazine derivatives as potential atypical antipsychotic agents. Abstract: A series of substituted phenethyl derivatives of 3-benzisothiazolylpiperazine incorporating potent D2 and 5-HT2A antagonist activity was investigated as an approach to a novel atypical antipsychotic agent. The in vitro profile of 8e from this series is a combination of D2 receptor affinity comparable to the typical antipsychotic agent haloperidol and a 5-HT2A/D2 ratio comparable to the atypical ... aid5573.table aid5573.tbin
5574 1 Title: Evaluation of isotryptamine derivatives at 5-HT(2) serotonin receptors. Abstract: On the basis that meta-chlorophenylpiperazine (mCPP; 1) is a nonselective 5-HT(2C) agonist, that benz-fused tryptamines (e.g., 5) display enhanced 5-HT(2) affinity, and that certain isotryptamines 3 reportedly bind with enhanced affinity and selectivity at 5-HT(2C) receptors, we prepared and examined a series of isotryptamine-related analogues as potentially selective 5-HT(2C) agonists. None of the compounds... aid5574.table aid5574.tbin
5575 1 Title: Evaluation of isotryptamine derivatives at 5-HT(2) serotonin receptors. Abstract: On the basis that meta-chlorophenylpiperazine (mCPP; 1) is a nonselective 5-HT(2C) agonist, that benz-fused tryptamines (e.g., 5) display enhanced 5-HT(2) affinity, and that certain isotryptamines 3 reportedly bind with enhanced affinity and selectivity at 5-HT(2C) receptors, we prepared and examined a series of isotryptamine-related analogues as potentially selective 5-HT(2C) agonists. None of the compounds... aid5575.table aid5575.tbin
5576 1 Title: Synthesis and pharmacological characterization of a series of geometrically constrained 5-HT(2A/2C) receptor ligands. Abstract: In studies of the SAR of phenethylamine-type serotonin 5-HT(2A) receptor agonists, substituted conformationally constrained tetrahydronaphthofurans were designed to investigate the optimal conformation of the 2-aminoethyl moiety. These compounds were tested using in vitro assays for affinity at 5-HT(1A), 5-HT(2A), and 5-HT(2C) receptors. The benzofuran-containing... aid5576.table aid5576.tbin
5577 9 Title: Synthesis and pharmacological characterization of a series of geometrically constrained 5-HT(2A/2C) receptor ligands. Abstract: In studies of the SAR of phenethylamine-type serotonin 5-HT(2A) receptor agonists, substituted conformationally constrained tetrahydronaphthofurans were designed to investigate the optimal conformation of the 2-aminoethyl moiety. These compounds were tested using in vitro assays for affinity at 5-HT(1A), 5-HT(2A), and 5-HT(2C) receptors. The benzofuran-containing... aid5577.table aid5577.tbin
5578 7 Title: Synthesis and pharmacological testing of 1,2,3,4,10,14b-hexahydro-6-methoxy-2-methyldibenzo[c,f]pyrazino[1,2-a]azepin and its enantiomers in comparison with the two antidepressants mianserin and mirtazapine. Abstract: The synthesis and resolution of 1,2,3,4,10,14b-hexahydro-6-methoxy-2-methyldibenzo[c,f]pyrazino[1,2-a]azepin (6-methoxymianserin, 6) are described. Furthermore, the in vitro and in vivo effects of 6 and its enantiomers are presented. 6 displayed high affinity for the 5-HT2A/... aid5578.table aid5578.tbin
5579 1 Title: N-Substituted (2,3-dihydro-1,4-benzodioxin-2-yl)methylamine derivatives as D(2) antagonists/5-HT(1A) partial agonists with potential as atypical antipsychotic agents. Abstract: A series of N-substituted 1-(2,3-dihydro-1, 4-benzodioxin-2-yl)methylamine derivatives with D(2) antagonist/5-HT(1A) partial agonist activity has been prepared as potential atypical antipsychotic agents. Optimization of in vitro receptor binding activity and in vivo activity in rodent models of psychosis has led to... aid5579.table aid5579.tbin
5580 11 Binding affinity for 5-hydroxytryptamine 2A receptor in rat cortex using [3H]ketanserin aid5580.table aid5580.tbin
5581 24 Title: Novel, potent, and selective 5-HT3 receptor antagonists based on the arylpiperazine skeleton: synthesis, structure, biological activity, and comparative molecular field analysis studies. Abstract: Synthesis and pharmacological evaluation of a series of condensed quinoline derivatives bearing a basic nitrogen on piperazine or [(dimethylamino)ethyl]thio moieties attached at the 2-position of the quinoline nucleus are described. 5-HT receptor binding studies revealed, for most of the compoun... aid5581.table aid5581.tbin
5582 1 Title: Novel, potent, and selective 5-HT3 receptor antagonists based on the arylpiperazine skeleton: synthesis, structure, biological activity, and comparative molecular field analysis studies. Abstract: Synthesis and pharmacological evaluation of a series of condensed quinoline derivatives bearing a basic nitrogen on piperazine or [(dimethylamino)ethyl]thio moieties attached at the 2-position of the quinoline nucleus are described. 5-HT receptor binding studies revealed, for most of the compoun... aid5582.table aid5582.tbin
5583 1 Title: Novel, potent, and selective 5-HT3 receptor antagonists based on the arylpiperazine skeleton: synthesis, structure, biological activity, and comparative molecular field analysis studies. Abstract: Synthesis and pharmacological evaluation of a series of condensed quinoline derivatives bearing a basic nitrogen on piperazine or [(dimethylamino)ethyl]thio moieties attached at the 2-position of the quinoline nucleus are described. 5-HT receptor binding studies revealed, for most of the compoun... aid5583.table aid5583.tbin
5584 4 Title: 4-(Phenylsulfonyl)piperidines: novel, selective, and bioavailable 5-HT(2A) receptor antagonists. Abstract: On the basis of a spirocyclic ether screening lead, a series of acyclic sulfones have been identified as high-affinity, selective 5-HT(2A) receptor antagonists. Bioavailability lacking in the parent, 1-(2-(2,4-difluorophenyl)ethyl)-4-(phenylsulfonyl)piperidine (12), was introduced by using stability toward rat liver microsomes as a predictor of bioavailability. By this means, the 4-c... aid5584.table aid5584.tbin
5585 1 Title: New pyridobenzodiazepine derivatives: modifications of the basic side chain differentially modulate binding to dopamine (D(4.2), D(2L)) and serotonin (5-HT(2A)) receptors. Abstract: A series of new pyridobenzodiazepines with variation of the basic side chain were synthesized and evaluated for their binding to D(4.2), D(2L), and 5-HT(2A) receptors in comparison with clozapine, haloperidol, and two parent compounds previously described, 8-chloro-6-(4-methyl-1-piperazinyl)-11H-pyrido[2,3-b][... aid5585.table aid5585.tbin
5586 3 Title: New pyridobenzodiazepine derivatives: modifications of the basic side chain differentially modulate binding to dopamine (D(4.2), D(2L)) and serotonin (5-HT(2A)) receptors. Abstract: A series of new pyridobenzodiazepines with variation of the basic side chain were synthesized and evaluated for their binding to D(4.2), D(2L), and 5-HT(2A) receptors in comparison with clozapine, haloperidol, and two parent compounds previously described, 8-chloro-6-(4-methyl-1-piperazinyl)-11H-pyrido[2,3-b][... aid5586.table aid5586.tbin
5587 2 Title: Synthesis and pharmacological characterization of a series of geometrically constrained 5-HT(2A/2C) receptor ligands. Abstract: In studies of the SAR of phenethylamine-type serotonin 5-HT(2A) receptor agonists, substituted conformationally constrained tetrahydronaphthofurans were designed to investigate the optimal conformation of the 2-aminoethyl moiety. These compounds were tested using in vitro assays for affinity at 5-HT(1A), 5-HT(2A), and 5-HT(2C) receptors. The benzofuran-containing... aid5587.table aid5587.tbin
5588 2 Title: Synthesis and structure-affinity relationship investigations of 5-heteroaryl-substituted analogues of the antipsychotic sertindole. A new class of highly selective alpha(1) adrenoceptor antagonists. Abstract: A new class of 5-heteroaryl-substituted 1-(4-fluorophenyl)-3-(4-piperidinyl)-1H-indoles as highly selective and potentially CNS-active alpha 1-adrenoceptor antagonists is described. The compounds are derived from the antipsychotic sertindole. The structure-affinity relationships of t... aid5588.table aid5588.tbin
5589 1 Title: Syntheses and binding studies of new [(aryl)(aryloxy)methyl]piperidine derivatives and related compounds as potential antidepressant drugs with high affinity for serotonin (5-HT) and norepinephrine (NE) transporters. Abstract: In a wide search program toward new, efficient, and fast-acting antidepressant drugs, we have prepared series of new compounds having an (aryl)(aryloxy)methyl moiety linked directly or through a methylene chain to different substituted and unsubstituted cycles (isoq... aid5589.table aid5589.tbin
5590 1 Title: Lysergamides of isomeric 2,4-dimethylazetidines map the binding orientation of the diethylamide moiety in the potent hallucinogenic agent N,N-diethyllysergamide (LSD). Abstract: Lysergic acid amides were prepared from (R,R)-(-)-, (S,S)-(+)-, and cis-2,4-dimethyl azetidine. The dimethylazetidine moiety is considered here to be a rigid analogue of diethylamine, and thus, the target compounds are all conformationally constrained analogues of the potent hallucinogenic agent, N,N-diethyllyserg... aid5590.table aid5590.tbin
5591 1 Title: Lysergamides of isomeric 2,4-dimethylazetidines map the binding orientation of the diethylamide moiety in the potent hallucinogenic agent N,N-diethyllysergamide (LSD). Abstract: Lysergic acid amides were prepared from (R,R)-(-)-, (S,S)-(+)-, and cis-2,4-dimethyl azetidine. The dimethylazetidine moiety is considered here to be a rigid analogue of diethylamine, and thus, the target compounds are all conformationally constrained analogues of the potent hallucinogenic agent, N,N-diethyllyserg... aid5591.table aid5591.tbin
5592 2 Title: Lysergamides of isomeric 2,4-dimethylazetidines map the binding orientation of the diethylamide moiety in the potent hallucinogenic agent N,N-diethyllysergamide (LSD). Abstract: Lysergic acid amides were prepared from (R,R)-(-)-, (S,S)-(+)-, and cis-2,4-dimethyl azetidine. The dimethylazetidine moiety is considered here to be a rigid analogue of diethylamine, and thus, the target compounds are all conformationally constrained analogues of the potent hallucinogenic agent, N,N-diethyllyserg... aid5592.table aid5592.tbin
5593 7 Title: Conformationally constrained butyrophenones with mixed dopaminergic (D(2)) and serotoninergic (5-HT(2A), 5-HT(2C)) affinities: synthesis, pharmacology, 3D-QSAR, and molecular modeling of (aminoalkyl)benzo- and -thienocycloalkanones as putative atypical antipsychotics. Abstract: A series of novel conformationally restricted butyrophenones (2-(aminoethyl)- and 3-(aminomethyl)thieno- or benzocycloalkanones bearing (6-fluorobenzisoxazolyl)piperidine, (p-fluorobenzoyl)piperidine, (o-methoxyphe... aid5593.table aid5593.tbin
5594 10 Title: Conformationally constrained butyrophenones with mixed dopaminergic (D(2)) and serotoninergic (5-HT(2A), 5-HT(2C)) affinities: synthesis, pharmacology, 3D-QSAR, and molecular modeling of (aminoalkyl)benzo- and -thienocycloalkanones as putative atypical antipsychotics. Abstract: A series of novel conformationally restricted butyrophenones (2-(aminoethyl)- and 3-(aminomethyl)thieno- or benzocycloalkanones bearing (6-fluorobenzisoxazolyl)piperidine, (p-fluorobenzoyl)piperidine, (o-methoxyphe... aid5594.table aid5594.tbin
5595 33 Title: New serotonin 5-HT(2A), 5-HT(2B), and 5-HT(2C) receptor antagonists: synthesis, pharmacology, 3D-QSAR, and molecular modeling of (aminoalkyl)benzo and heterocycloalkanones. Abstract: A series of 52 conformationally constrained butyrophenones have been synthesized and pharmacologically tested as antagonists at 5-HT(2A), 5-HT(2B), and 5-HT(2C) serotonin receptors, useful for dissecting the role of each 5-HT(2) subtype in pathophysiology. These compounds were also a consistent set for the id... aid5595.table aid5595.tbin
5596 21 Title: New serotonin 5-HT(2A), 5-HT(2B), and 5-HT(2C) receptor antagonists: synthesis, pharmacology, 3D-QSAR, and molecular modeling of (aminoalkyl)benzo and heterocycloalkanones. Abstract: A series of 52 conformationally constrained butyrophenones have been synthesized and pharmacologically tested as antagonists at 5-HT(2A), 5-HT(2B), and 5-HT(2C) serotonin receptors, useful for dissecting the role of each 5-HT(2) subtype in pathophysiology. These compounds were also a consistent set for the id... aid5596.table aid5596.tbin
5597 52 Title: New serotonin 5-HT(2A), 5-HT(2B), and 5-HT(2C) receptor antagonists: synthesis, pharmacology, 3D-QSAR, and molecular modeling of (aminoalkyl)benzo and heterocycloalkanones. Abstract: A series of 52 conformationally constrained butyrophenones have been synthesized and pharmacologically tested as antagonists at 5-HT(2A), 5-HT(2B), and 5-HT(2C) serotonin receptors, useful for dissecting the role of each 5-HT(2) subtype in pathophysiology. These compounds were also a consistent set for the id... aid5597.table aid5597.tbin
5598 2 Title: New serotonin 5-HT(2A), 5-HT(2B), and 5-HT(2C) receptor antagonists: synthesis, pharmacology, 3D-QSAR, and molecular modeling of (aminoalkyl)benzo and heterocycloalkanones. Abstract: A series of 52 conformationally constrained butyrophenones have been synthesized and pharmacologically tested as antagonists at 5-HT(2A), 5-HT(2B), and 5-HT(2C) serotonin receptors, useful for dissecting the role of each 5-HT(2) subtype in pathophysiology. These compounds were also a consistent set for the id... aid5598.table aid5598.tbin
5599 15 Title: Enantiospecific synthesis and pharmacological evaluation of a series of super-potent, conformationally restricted 5-HT(2A/2C) receptor agonists. Abstract: The affinity of ligands for either the 5-HT(2A) or 5-HT(2C) agonist binding site was enhanced by modification of the 2,5-oxygen substituents that are found in typical hallucinogenic amphetamines such as 4b (DOB). Restriction of the conformationally flexible 2,5-dimethoxy substituents into fused dihydrofuran rings generally resulted in i... aid5599.table aid5599.tbin
5600 3 Title: Histaprodifens: synthesis, pharmacological in vitro evaluation, and molecular modeling of a new class of highly active and selective histamine H(1)-receptor agonists. Abstract: A new class of histamine analogues characterized by a 3, 3-diphenylpropyl substituent at the 2-position of the imidazole nucleus has been prepared outgoing from 4,4-diphenylbutyronitrile (4b) via cyclization of the corresponding methyl imidate 5b with 2-oxo-4-phthalimido-1-butyl acetate or 2-oxo-1,4-butandiol in li... aid5600.table aid5600.tbin
5601 2 Title: Histaprodifens: synthesis, pharmacological in vitro evaluation, and molecular modeling of a new class of highly active and selective histamine H(1)-receptor agonists. Abstract: A new class of histamine analogues characterized by a 3, 3-diphenylpropyl substituent at the 2-position of the imidazole nucleus has been prepared outgoing from 4,4-diphenylbutyronitrile (4b) via cyclization of the corresponding methyl imidate 5b with 2-oxo-4-phthalimido-1-butyl acetate or 2-oxo-1,4-butandiol in li... aid5601.table aid5601.tbin
5602 2 Title: Cycloalkanecarboxylic esters derived from lysergol, dihydrolysergol-I, and elymoclavine as partial agonists and antagonists at rat 5-HT2A receptors: pharmacological evidence that the indolo[4,3-fg]quinoline system of the ergolines is responsible for high 5-HT2A receptor affinity. Abstract: Three series of cycloalkanecarboxylic esters derived from the naturally occurring clavine alkaloids lysergol, dihydrolysergol-I, and elymoclavine were synthesized to study their interaction with 5-HT2A ... aid5602.table aid5602.tbin
5603 37 Title: New serotonin 5-HT(2A), 5-HT(2B), and 5-HT(2C) receptor antagonists: synthesis, pharmacology, 3D-QSAR, and molecular modeling of (aminoalkyl)benzo and heterocycloalkanones. Abstract: A series of 52 conformationally constrained butyrophenones have been synthesized and pharmacologically tested as antagonists at 5-HT(2A), 5-HT(2B), and 5-HT(2C) serotonin receptors, useful for dissecting the role of each 5-HT(2) subtype in pathophysiology. These compounds were also a consistent set for the id... aid5603.table aid5603.tbin
5604 16 Title: New serotonin 5-HT(2A), 5-HT(2B), and 5-HT(2C) receptor antagonists: synthesis, pharmacology, 3D-QSAR, and molecular modeling of (aminoalkyl)benzo and heterocycloalkanones. Abstract: A series of 52 conformationally constrained butyrophenones have been synthesized and pharmacologically tested as antagonists at 5-HT(2A), 5-HT(2B), and 5-HT(2C) serotonin receptors, useful for dissecting the role of each 5-HT(2) subtype in pathophysiology. These compounds were also a consistent set for the id... aid5604.table aid5604.tbin
5605 1 Title: New serotonin 5-HT(2A), 5-HT(2B), and 5-HT(2C) receptor antagonists: synthesis, pharmacology, 3D-QSAR, and molecular modeling of (aminoalkyl)benzo and heterocycloalkanones. Abstract: A series of 52 conformationally constrained butyrophenones have been synthesized and pharmacologically tested as antagonists at 5-HT(2A), 5-HT(2B), and 5-HT(2C) serotonin receptors, useful for dissecting the role of each 5-HT(2) subtype in pathophysiology. These compounds were also a consistent set for the id... aid5605.table aid5605.tbin
5606 1 Title: Synthesis and serotonergic activity of N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethylamine and analogues: potent agonists for 5-HT1D receptors. Abstract: The synthesis and the 5-HT receptor activity of a novel series of N,N-dimethyltryptamines substituted in the 5-position with an imidazole, triazole, or tetrazole ring are described. The objective of this work was to identify potent and selective 5-HT1D receptor agonists with high oral bioavailability and low central ner... aid5606.table aid5606.tbin
5607 13 Title: Synthesis and serotonergic activity of N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethylamine and analogues: potent agonists for 5-HT1D receptors. Abstract: The synthesis and the 5-HT receptor activity of a novel series of N,N-dimethyltryptamines substituted in the 5-position with an imidazole, triazole, or tetrazole ring are described. The objective of this work was to identify potent and selective 5-HT1D receptor agonists with high oral bioavailability and low central ner... aid5607.table aid5607.tbin
5608 1 Title: Synthesis and serotonergic activity of N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethylamine and analogues: potent agonists for 5-HT1D receptors. Abstract: The synthesis and the 5-HT receptor activity of a novel series of N,N-dimethyltryptamines substituted in the 5-position with an imidazole, triazole, or tetrazole ring are described. The objective of this work was to identify potent and selective 5-HT1D receptor agonists with high oral bioavailability and low central ner... aid5608.table aid5608.tbin
5609 16 Title: Synthesis and biological activity of 3-[2-(dimethylamino)ethyl]-5-[(1,1-dioxo-5-methyl-1,2,5-thiadiazolidin- 2-yl)-methyl]-1H-indole and analogues: agonists for the 5-HT1D receptor. Abstract: A novel series of 5-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)tryptamines was designed, synthesized, and evaluated as 5-HT1D receptor agonists. Compounds such as 8d,f,k were identified which had comparable affinity, potency, and receptor selectivity to that of the antimigraine drug sumatriptan. Both 8d,k ... aid5609.table aid5609.tbin
5610 1 Title: (+)-cis-4,5,7a,8,9,10,11,11a-octahydro-7H-10-methylindolo[1,7- bc][2,6]-naphthyridine: a 5-HT2C/2B receptor antagonist with low 5-HT2A receptor affinity. Abstract: The indolonaphthyridine 8 is described as a selective 5-HT2C/2B vs 5-HT2A receptor antagonist. The compound was synthesized in seven steps starting from indoline and isonicotinic acid chloride. The key step is a photocyclization of the indolinyl tetrahydropyridinocarbamic acid ethyl ester 4 to the cis-octahydroindolo[1, 7-bc][2... aid5610.table aid5610.tbin
5611 1 Title: (+)-cis-4,5,7a,8,9,10,11,11a-octahydro-7H-10-methylindolo[1,7- bc][2,6]-naphthyridine: a 5-HT2C/2B receptor antagonist with low 5-HT2A receptor affinity. Abstract: The indolonaphthyridine 8 is described as a selective 5-HT2C/2B vs 5-HT2A receptor antagonist. The compound was synthesized in seven steps starting from indoline and isonicotinic acid chloride. The key step is a photocyclization of the indolinyl tetrahydropyridinocarbamic acid ethyl ester 4 to the cis-octahydroindolo[1, 7-bc][2... aid5611.table aid5611.tbin
5612 4 Title: The serotonin 5-HT4 receptor. 1. Design of a new class of agonists and receptor map of the agonist recognition site. Abstract: The design and synthesis of a new class of potent and selective 5-HT4 receptor agonists containing an indole nucleus linked to a carbazimidamide are presented. A conformational study of the 5-HT4 receptor agonists serotonin and zacopride led to the identification of an initial pharmacophore and to the definition of a three-dimensional map of the 5-HT4 agonist reco... aid5612.table aid5612.tbin
5613 2 Title: The serotonin 5-HT4 receptor. 2. Structure-activity studies of the indole carbazimidamide class of agonists. Abstract: A number of substituted indole carbazimidamides were prepared and evaluated as 5-HT4 receptor agonists by using the isolated field-stimulated guinea pig ileum preparation. Their selectivity for the 5-HT4 receptor was established by examining their affinity for other 5-HT receptors using radioligand-binding techniques. Several selective and highly potent full as well as pa... aid5613.table aid5613.tbin
5614 8 Title: Selective optimization of side activities: another way for drug discovery. aid5614.table aid5614.tbin
5615 4 Title: Binding of beta-carbolines at 5-HT(2) serotonin receptors. Abstract: A series of ring-substituted (i.e., methoxy and bromo) 3,4-dihydro- and 1,2,3,4-tetrahydro-beta-carbolines was examined at 5-HT(2A) and 5-HT(2C) serotonin receptors. Whereas most of the methoxy-substituted derivatives typically displayed affinities similar to their unsubstituted parents, certain (particularly 8-substituted) bromo derivatives displayed enhanced affinity. A binding profile was obtained for selected beta-ca... aid5615.table aid5615.tbin
5616 5 Title: Current and novel approaches to the drug treatment of schizophrenia. aid5616.table aid5616.tbin
5617 15 Title: Synthesis and 5-hydroxytryptamine (5-HT) activity of 2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-(6H)ones and 2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoxalines. Abstract: A series of 2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-(6H)ones and 2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoxalines was shown to exhibit 5-HT2C agonist binding and functional activity. Compound 21R inhibited food intake over 2 h in fasted, male Sprague Dawley rats with ED50 values of 2 mg/kg (i.p... aid5617.table aid5617.tbin
5618 21 Title: Synthesis and 5-hydroxytryptamine (5-HT) activity of 2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-(6H)ones and 2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoxalines. Abstract: A series of 2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-(6H)ones and 2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoxalines was shown to exhibit 5-HT2C agonist binding and functional activity. Compound 21R inhibited food intake over 2 h in fasted, male Sprague Dawley rats with ED50 values of 2 mg/kg (i.p... aid5618.table aid5618.tbin
5619 15 Title: Synthesis and 5-hydroxytryptamine (5-HT) activity of 2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-(6H)ones and 2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoxalines. Abstract: A series of 2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-(6H)ones and 2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoxalines was shown to exhibit 5-HT2C agonist binding and functional activity. Compound 21R inhibited food intake over 2 h in fasted, male Sprague Dawley rats with ED50 values of 2 mg/kg (i.p... aid5619.table aid5619.tbin
5620 2 Title: Thieno[3,2-b]- and thieno[2,3-b]pyrrole bioisosteric analogues of the hallucinogen and serotonin agonist N,N-dimethyltryptamine. Abstract: The synthesis and biological activity of 6-[2-(N, N-dimethylamino)ethyl]-4H-thieno[3,2-b]pyrrole (3a) and 4-[2-(N, N-dimethylamino)ethyl]-6H-thieno[2,3-b]pyrrole (3b), thienopyrroles as potential bioisosteres of N,N-dimethyltryptamine (1a), are reported. Hallucinogen-like activity was evaluated in the two-lever drug discrimination paradigm using LSD- a... aid5620.table aid5620.tbin
5621 1 Title: Thieno[3,2-b]- and thieno[2,3-b]pyrrole bioisosteric analogues of the hallucinogen and serotonin agonist N,N-dimethyltryptamine. Abstract: The synthesis and biological activity of 6-[2-(N, N-dimethylamino)ethyl]-4H-thieno[3,2-b]pyrrole (3a) and 4-[2-(N, N-dimethylamino)ethyl]-6H-thieno[2,3-b]pyrrole (3b), thienopyrroles as potential bioisosteres of N,N-dimethyltryptamine (1a), are reported. Hallucinogen-like activity was evaluated in the two-lever drug discrimination paradigm using LSD- a... aid5621.table aid5621.tbin
5622 6 Title: Synthesis, receptor potency, and selectivity of halogenated diphenylpiperidines as serotonin 5-HT2A ligands for PET or SPECT brain imaging. Abstract: A series of 4'-substituted phenyl-4-piperidinylmethanol and benzoyl-4-piperidine derivatives was synthesized as potential novel serotonin 5-HT2A receptor ligands that can be radiolabeled for in vivo brain imaging. Compounds were prepared by alkylation of 4-substituted benzoyl-4-piperidine with an iodo- or fluoro-substituted phenylalkyl halid... aid5622.table aid5622.tbin
5623 10 Title: Synthesis, receptor potency, and selectivity of halogenated diphenylpiperidines as serotonin 5-HT2A ligands for PET or SPECT brain imaging. Abstract: A series of 4'-substituted phenyl-4-piperidinylmethanol and benzoyl-4-piperidine derivatives was synthesized as potential novel serotonin 5-HT2A receptor ligands that can be radiolabeled for in vivo brain imaging. Compounds were prepared by alkylation of 4-substituted benzoyl-4-piperidine with an iodo- or fluoro-substituted phenylalkyl halid... aid5623.table aid5623.tbin
5624 6 Title: Pyrrolo[3,2,1-ij]quinoline derivatives, a 5-HT2c receptor agonist with selectivity over the 5-HT2a receptor: potential therapeutic applications for epilepsy and obesity. Abstract: A series of pyrrolo[3,2,1-ij]quinoline derivatives was synthesized, evaluated for their activity against the 5-HT2c and 5-HT2a, receptors and found to be agonists at 5-HT2c with selectivity over 5-HT2a. aid5624.table aid5624.tbin
5625 2 Title: Novel potent 5-HT(1F) receptor agonists: structure-activity studies of a series of substituted N-[3-(1-methyl-4-piperidinyl)-1H-pyrrolo[3,2-b]pyridin-5-yl]amides. Abstract: Compound 1a (LY334370), a selective 5-HT(1F) receptor agonist (SSOFRA), inhibited dural inflammation in the neurogenic plasma protein extravasation model of migraine and demonstrated clinical efficacy for the acute treatment of migraine. Although 1a was greater than 100-fold selective over both the 5-HT(1B) and 5-HT(1D... aid5625.table aid5625.tbin
5626 10 Title: A novel and selective 5-HT2 receptor agonist with ocular hypotensive activity: (S)-(+)-1-(2-aminopropyl)-8,9-dihydropyrano[3,2-e]indole. Abstract: Serotonin 5-HT2 receptor agonists have recently been shown to be effective in lowering intraocular pressure in nonhuman primates and represent a potential new class of antiglaucoma agents. As part of an effort to identify new selective agonists at this receptor, we have found that (S)-(+)-1-(2-aminopropyl)-8,9-dihydropyrano[3,2-e]indole (AL-373... aid5626.table aid5626.tbin
5627 17 Title: Evaluation of isotryptamine derivatives at 5-HT(2) serotonin receptors. Abstract: On the basis that meta-chlorophenylpiperazine (mCPP; 1) is a nonselective 5-HT(2C) agonist, that benz-fused tryptamines (e.g., 5) display enhanced 5-HT(2) affinity, and that certain isotryptamines 3 reportedly bind with enhanced affinity and selectivity at 5-HT(2C) receptors, we prepared and examined a series of isotryptamine-related analogues as potentially selective 5-HT(2C) agonists. None of the compounds... aid5627.table aid5627.tbin
5628 1 Title: Evaluation of isotryptamine derivatives at 5-HT(2) serotonin receptors. Abstract: On the basis that meta-chlorophenylpiperazine (mCPP; 1) is a nonselective 5-HT(2C) agonist, that benz-fused tryptamines (e.g., 5) display enhanced 5-HT(2) affinity, and that certain isotryptamines 3 reportedly bind with enhanced affinity and selectivity at 5-HT(2C) receptors, we prepared and examined a series of isotryptamine-related analogues as potentially selective 5-HT(2C) agonists. None of the compounds... aid5628.table aid5628.tbin
5629 1 Title: Evaluation of isotryptamine derivatives at 5-HT(2) serotonin receptors. Abstract: On the basis that meta-chlorophenylpiperazine (mCPP; 1) is a nonselective 5-HT(2C) agonist, that benz-fused tryptamines (e.g., 5) display enhanced 5-HT(2) affinity, and that certain isotryptamines 3 reportedly bind with enhanced affinity and selectivity at 5-HT(2C) receptors, we prepared and examined a series of isotryptamine-related analogues as potentially selective 5-HT(2C) agonists. None of the compounds... aid5629.table aid5629.tbin
5630 1 Title: Evaluation of isotryptamine derivatives at 5-HT(2) serotonin receptors. Abstract: On the basis that meta-chlorophenylpiperazine (mCPP; 1) is a nonselective 5-HT(2C) agonist, that benz-fused tryptamines (e.g., 5) display enhanced 5-HT(2) affinity, and that certain isotryptamines 3 reportedly bind with enhanced affinity and selectivity at 5-HT(2C) receptors, we prepared and examined a series of isotryptamine-related analogues as potentially selective 5-HT(2C) agonists. None of the compounds... aid5630.table aid5630.tbin
5631 2 Title: 4-(Phenylsulfonyl)piperidines: novel, selective, and bioavailable 5-HT(2A) receptor antagonists. Abstract: On the basis of a spirocyclic ether screening lead, a series of acyclic sulfones have been identified as high-affinity, selective 5-HT(2A) receptor antagonists. Bioavailability lacking in the parent, 1-(2-(2,4-difluorophenyl)ethyl)-4-(phenylsulfonyl)piperidine (12), was introduced by using stability toward rat liver microsomes as a predictor of bioavailability. By this means, the 4-c... aid5631.table aid5631.tbin
5632 2 Title: 4-(Phenylsulfonyl)piperidines: novel, selective, and bioavailable 5-HT(2A) receptor antagonists. Abstract: On the basis of a spirocyclic ether screening lead, a series of acyclic sulfones have been identified as high-affinity, selective 5-HT(2A) receptor antagonists. Bioavailability lacking in the parent, 1-(2-(2,4-difluorophenyl)ethyl)-4-(phenylsulfonyl)piperidine (12), was introduced by using stability toward rat liver microsomes as a predictor of bioavailability. By this means, the 4-c... aid5632.table aid5632.tbin
5633 1 Title: Influence of the 5-HT6 receptor on acetylcholine release in the cortex: pharmacological characterization of 4-(2-bromo-6-pyrrolidin-1-ylpyridine-4-sulfonyl)phenylamine, a potent and selective 5-HT6 receptor antagonist. Abstract: A small series of aryl pyridyl sulfones has been prepared and investigated for its 5-HT(6) receptor binding properties. Thereof, pyrrolidinyl derivative 11 proved to be a very potent (pK(i) 9) and selective 5-HT(6) receptor antagonist. By means of in vivo microdia... aid5633.table aid5633.tbin
5634 14 Title: Indoline derivatives as 5-HT(2C) receptor agonists. Abstract: A series of 1-(1-indolinyl)-2-propylamines was synthesised and evaluated as 5-HT(2C) receptor agonists for the treatment of obesity. The general methods of synthesis of the precursor indoles are described. The functional efficacy and radioligand binding data for all of the compounds at 5-HT(2) receptor subtypes are reported. A number of compounds were found to reduce food intake in rats after oral administration. aid5634.table aid5634.tbin
5635 20 Title: Synthesis and 5-hydroxytryptamine (5-HT) activity of 2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-(6H)ones and 2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoxalines. Abstract: A series of 2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-(6H)ones and 2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoxalines was shown to exhibit 5-HT2C agonist binding and functional activity. Compound 21R inhibited food intake over 2 h in fasted, male Sprague Dawley rats with ED50 values of 2 mg/kg (i.p... aid5635.table aid5635.tbin
5636 1 Title: Synthesis and serotonergic activity of N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethylamine and analogues: potent agonists for 5-HT1D receptors. Abstract: The synthesis and the 5-HT receptor activity of a novel series of N,N-dimethyltryptamines substituted in the 5-position with an imidazole, triazole, or tetrazole ring are described. The objective of this work was to identify potent and selective 5-HT1D receptor agonists with high oral bioavailability and low central ner... aid5636.table aid5636.tbin
5637 1 Title: Synthesis and serotonergic activity of N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethylamine and analogues: potent agonists for 5-HT1D receptors. Abstract: The synthesis and the 5-HT receptor activity of a novel series of N,N-dimethyltryptamines substituted in the 5-position with an imidazole, triazole, or tetrazole ring are described. The objective of this work was to identify potent and selective 5-HT1D receptor agonists with high oral bioavailability and low central ner... aid5637.table aid5637.tbin
5638 21 Title: Synthesis and structure-activity relationship of 2-(aminoalkyl)-2,3,3a,8-tetrahydrodibenzo[c,f]isoxazolo[2,3-a]azepine derivatives: a novel series of 5-HT(2A/2C) receptor antagonists. Part 1. Abstract: The synthesis of a series of novel 2-(aminoalkyl)-2,3,3a,8-tetrahydrodibenzo[c,f]isoxazolo[2,3-a]azepine derivatives as well as their 5-HT(2A/2C) and H(1) receptor binding affinities are described. The in vivo activity as potential anxiolytics of the synthesised compounds was measured in a ... aid5638.table aid5638.tbin
5639 21 Title: Synthesis and structure-activity relationship of 2-(aminoalkyl)-2,3,3a,8-tetrahydrodibenzo[c,f]isoxazolo[2,3-a]azepine derivatives: a novel series of 5-HT(2A/2C) receptor antagonists. Part 2. Abstract: Following the programme started at Janssen Research Foundation searching for 5-HT(2A/2C) antagonists, we now report on the synthesis of a series of substituted 2-(Dimethylaminomethyl)-2,3,3a,8-tetrahydrodibenzo[c,f]isoxazolo[2,3-a]azepine derivatives. The 5-HT(2A), 5-HT(2C) and H(1) recepto... aid5639.table aid5639.tbin
5640 1 Title: Synthesis and structure-activity relationship of 2-(aminoalkyl)-2,3,3a,8-tetrahydrodibenzo[c,f]isoxazolo[2,3-a]azepine derivatives: a novel series of 5-HT(2A/2C) receptor antagonists. Part 2. Abstract: Following the programme started at Janssen Research Foundation searching for 5-HT(2A/2C) antagonists, we now report on the synthesis of a series of substituted 2-(Dimethylaminomethyl)-2,3,3a,8-tetrahydrodibenzo[c,f]isoxazolo[2,3-a]azepine derivatives. The 5-HT(2A), 5-HT(2C) and H(1) recepto... aid5640.table aid5640.tbin
5641 1 Title: 2-(Dimethylaminomethyl)-tetrahydroisoxazolopyridobenzazepine derivatives. Synthesis of a new 5-HT(2C) antagonist with potential anxiolytic properties. Abstract: Following the program started at Johnson &amp; Johnson Pharmaceutical Research &amp; Development searching for 5-HT(2A/2C) antagonists, we now report on the synthesis of 2-(dimethylaminomethyl)-2,3,3a,8-tetrahydroisoxazolo[3,2-a]pyrido[3,4-c]-[2]benzazepine and 2-(dimethylaminomethyl)-2,3,3a,8-tetrahydroisoxazolo[3,2-a]pyrido[3,2-... aid5641.table aid5641.tbin
5642 1 Title: N-(1-methyl-5-indolyl)-N'-(3-methyl-5-isothiazolyl)urea: a novel, high-affinity 5-HT2B receptor antagonist. aid5642.table aid5642.tbin
5643 5 Title: 6-Chloro-5-methyl-1-[[2-[(2-methyl-3-pyridyl)oxy]-5-pyridyl]carbamoyl]- indoline (SB-242084): the first selective and brain penetrant 5-HT2C receptor antagonist. aid5643.table aid5643.tbin
5644 1 Title: 5-Methyl-1-(3-pyridylcarbamoyl)-1,2,3,5-tetrahydropyrrolo[2,3-f]indole: a novel 5-HT2C/5-HT2B receptor antagonist with improved affinity, selectivity, and oral activity. Abstract: The preparation of a series of conformationally restricted analogues of indolylurea 1, namely tetrahydropyrroloindoles and tetrahydropyrroloquinolines, is described. The binding affinities of these compounds at 5-HT2A, 5-HT2B, and 5-HT2C receptors were determined. Of these compounds, the 1,2,3,5-tetrahydropyrrol... aid5644.table aid5644.tbin
5645 31 Title: Novel agonists of 5HT2C receptors. Synthesis and biological evaluation of substituted 2-(indol-1-yl)-1-methylethylamines and 2-(indeno[1,2-b]pyrrol-1-yl)-1-methylethylamines. Improved therapeutics for obsessive compulsive disorder. Abstract: The syntheses of a series of substituted 2-(indol-1-yl)-1-methylethylamines and 2-(indeno[1,2- b]pyrrol-1-yl)-1-methylethylamines are reported. The binding affinities of the compounds at 5HT2C and 5HT2A receptors (79% homology in the transmembrane dom... aid5645.table aid5645.tbin
5646 4 Title: 5-Methyl-1-(3-pyridylcarbamoyl)-1,2,3,5-tetrahydropyrrolo[2,3-f]indole: a novel 5-HT2C/5-HT2B receptor antagonist with improved affinity, selectivity, and oral activity. Abstract: The preparation of a series of conformationally restricted analogues of indolylurea 1, namely tetrahydropyrroloindoles and tetrahydropyrroloquinolines, is described. The binding affinities of these compounds at 5-HT2A, 5-HT2B, and 5-HT2C receptors were determined. Of these compounds, the 1,2,3,5-tetrahydropyrrol... aid5646.table aid5646.tbin
5647 8 Title: Novel (4-piperazin-1-ylquinolin-6-yl) arylsulfonamides with high affinity and selectivity for the 5-HT(6) receptor. Abstract: The discovery of (4-piperazin-1-ylquinolin-6-yl) arylsulfonamides and their binding affinities for a selection of 5-HT and dopamine subreceptors is described. Many compounds show high affinity (pK(i)&gt;8) for the 5-HT(6) receptor and &gt;100-fold selectivity against a range of other receptors. Structure-activity relationships of these compounds are discussed. aid5647.table aid5647.tbin
5648 1 Title: Novel (4-piperazin-1-ylquinolin-6-yl) arylsulfonamides with high affinity and selectivity for the 5-HT(6) receptor. Abstract: The discovery of (4-piperazin-1-ylquinolin-6-yl) arylsulfonamides and their binding affinities for a selection of 5-HT and dopamine subreceptors is described. Many compounds show high affinity (pK(i)&gt;8) for the 5-HT(6) receptor and &gt;100-fold selectivity against a range of other receptors. Structure-activity relationships of these compounds are discussed. aid5648.table aid5648.tbin
5649 1 Title: Identification of a novel series of selective 5-HT7 receptor antagonists. Abstract: Novel 5-HT(7) receptor antagonists containing the benzocycloheptanone core were identified from high throughput screening. Molecular modelling and SAR studies have converted these intractable hits into a more potent, selective and tractable series, exemplified by compound (25), SB-691673. aid5649.table aid5649.tbin
5650 4 Title: A novel ergot alkaloid as a 5-HT(1A) inhibitor produced by Dicyma sp. Abstract: In the course of a search for small-molecule inhibitors of 5-hydroxytryptamine receptors we have identified a novel ergoline derivative (1) from the fungal culture of Dicyma sp. This compound has a pK(i) of 10.2 versus the 5-hydroxytryptamine(1A) receptor subtype. The structure was elucidated by extensive NMR spectroscopy and mass spectrometry. aid5650.table aid5650.tbin
5651 1 Title: A novel ergot alkaloid as a 5-HT(1A) inhibitor produced by Dicyma sp. Abstract: In the course of a search for small-molecule inhibitors of 5-hydroxytryptamine receptors we have identified a novel ergoline derivative (1) from the fungal culture of Dicyma sp. This compound has a pK(i) of 10.2 versus the 5-hydroxytryptamine(1A) receptor subtype. The structure was elucidated by extensive NMR spectroscopy and mass spectrometry. aid5651.table aid5651.tbin
5652 1 Title: A novel, potent, and selective 5-HT(7) antagonist: (R)-3-(2-(2-(4-methylpiperidin-1-yl)ethyl)pyrrolidine-1-sulfonyl) phen ol (SB-269970). aid5652.table aid5652.tbin
5653 1 Title: A novel, potent, and selective 5-HT(7) antagonist: (R)-3-(2-(2-(4-methylpiperidin-1-yl)ethyl)pyrrolidine-1-sulfonyl) phen ol (SB-269970). aid5653.table aid5653.tbin
5654 56 Title: Novel and selective 5-HT2C/2B receptor antagonists as potential anxiolytic agents: synthesis, quantitative structure-activity relationships, and molecular modeling of substituted 1-(3-pyridylcarbamoyl)indolines. Abstract: The synthesis, biological activity, and molecular modeling of a novel series of substituted 1-(3-pyridylcarbamoyl)indolines are reported. These compounds are isosteres of the previously published indole urea 1 (SB-206553) and illustrate the use of aromatic disubstitution... aid5654.table aid5654.tbin
5655 6 Title: A novel, potent, and selective 5-HT(7) antagonist: (R)-3-(2-(2-(4-methylpiperidin-1-yl)ethyl)pyrrolidine-1-sulfonyl) phen ol (SB-269970). aid5655.table aid5655.tbin
5656 37 Title: Biarylcarbamoylindolines are novel and selective 5-HT(2C) receptor inverse agonists: identification of 5-methyl-1-[[2-[(2-methyl-3-pyridyl)oxy]- 5-pyridyl]carbamoyl]-6-trifluoromethylindoline (SB-243213) as a potential antidepressant/anxiolytic agent. Abstract: The evolution, synthesis, and biological activity of a novel series of 5-HT(2C) receptor inverse agonists are reported. Biarylcarbamoylindolines have been identified with excellent 5-HT(2C) affinity and selectivity over 5-HT(2A) re... aid5656.table aid5656.tbin
5657 1 Title: Biarylcarbamoylindolines are novel and selective 5-HT(2C) receptor inverse agonists: identification of 5-methyl-1-[[2-[(2-methyl-3-pyridyl)oxy]- 5-pyridyl]carbamoyl]-6-trifluoromethylindoline (SB-243213) as a potential antidepressant/anxiolytic agent. Abstract: The evolution, synthesis, and biological activity of a novel series of 5-HT(2C) receptor inverse agonists are reported. Biarylcarbamoylindolines have been identified with excellent 5-HT(2C) affinity and selectivity over 5-HT(2A) re... aid5657.table aid5657.tbin
5658 2 Title: A novel, potent, and selective 5-HT(7) antagonist: (R)-3-(2-(2-(4-methylpiperidin-1-yl)ethyl)pyrrolidine-1-sulfonyl) phen ol (SB-269970). aid5658.table aid5658.tbin
5659 41 Title: 1-[2-[(Heteroaryloxy)heteroaryl]carbamoyl]indolines: novel and selective 5-HT2C receptor inverse agonists with potential as antidepressant/anxiolytic agents. Abstract: Bisaryl ethers have been identified with excellent 5-HT2C affinity and selectivity over both 5-HT2A and 5-HT2B receptors. Compounds such as 11, 27 and 38 have potent oral activity in a centrally mediated pharmacodynamic model of 5-HT2C function and their potential as novel non-sedating anxiolytic and antidepressants is unde... aid5659.table aid5659.tbin
5660 21 Title: 1-[2-[(Heteroarylmethoxy)aryl]carbamoyl]indolines are selective and orally active 5-HT2C receptor inverse agonists. Abstract: Bisarylmethoxyethers have been identified with nanomolar 5-HT2C affinity and selectivity over both 5-HT2A and 5-HT2B receptors. Compounds such as 1, 2, 8, 12, 14 and 18 have potent oral activity in a centrally mediated pharmacodynamic model of 5-HT2C function and their therapeutic potential is currently under further investigation. aid5660.table aid5660.tbin
5661 4 Title: Influence of the 5-HT6 receptor on acetylcholine release in the cortex: pharmacological characterization of 4-(2-bromo-6-pyrrolidin-1-ylpyridine-4-sulfonyl)phenylamine, a potent and selective 5-HT6 receptor antagonist. Abstract: A small series of aryl pyridyl sulfones has been prepared and investigated for its 5-HT(6) receptor binding properties. Thereof, pyrrolidinyl derivative 11 proved to be a very potent (pK(i) 9) and selective 5-HT(6) receptor antagonist. By means of in vivo microdia... aid5661.table aid5661.tbin
5662 4 Title: Phenyl benzenesulfonamides are novel and selective 5-HT6 antagonists: identification of N-(2,5-dibromo-3-fluorophenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide (SB-357134). Abstract: Substituted N-phenyl-4-methoxy-3-piperazin-1-ylbenzenesulfonamides and conformationally restricted analogues have been identified as high affinity and selective 5-HT6 antagonists. Compounds from this series had a range of pharmacokinetic profiles in rat and in general there was a correlation between clear... aid5662.table aid5662.tbin
5663 23 Displacement of [3H]mesulergine from human cloned 5-hydroxytryptamine 2C receptor expressed in CHO-K1 cells aid5663.table aid5663.tbin
5664 9 Title: 1,3-Biarylureas as selective non-peptide antagonists of the orexin-1 receptor. Abstract: This communication reports SARs for the first orexin-1 receptor antagonist series of 1-aryl-3-quinolin-4-yl and 1-aryl-3-naphthyridin-4-yl ureas. One of these compounds, 31 (SB-334867), has excellent selectivity for the orexin-1 receptor, blood-brain barrier permeability and shows in vivo activity following ip dosing. aid5664.table aid5664.tbin
5665 1 Title: The selective 5-HT1B receptor inverse agonist 1'-methyl-5-[[2'-methyl-4'-(5-methyl-1,2, 4-oxadiazol-3-yl)biphenyl-4-yl]carbonyl]-2,3,6,7-tetrahydro- spiro[furo[2,3-f]indole-3,4'-piperidine] (SB-224289) potently blocks terminal 5-HT autoreceptor function both in vitro and in vivo. Abstract: 5-HT1 receptors are members of the G-protein-coupled receptor superfamily and are negatively linked to adenylyl cyclase activity. The human 5-HT1B and 5-HT1D receptors (previously known as 5-HT1Dbeta an... aid5665.table aid5665.tbin
5666 3 Title: 5-Chloro-N-(4-methoxy-3-piperazin-1-yl- phenyl)-3-methyl-2-benzothiophenesulfon- amide (SB-271046): a potent, selective, and orally bioavailable 5-HT6 receptor antagonist. aid5666.table aid5666.tbin
5667 1 Title: SB-656104-A: a novel 5-HT(7) receptor antagonist with improved in vivo properties. Abstract: A focused SAR study around the previously reported selective 5-HT(7) receptor antagonist, SB-269970-A has resulted in the identification of a structurally related analogue having an improved pharmacokinetic profile. Replacement of the phenolic group in SB-269970-A with an indole moiety, and replacement of the piperidinyl 4-methyl group with a heterocyclic ring system proved to be the key changes l... aid5667.table aid5667.tbin
5668 4 Title: New serotonin 5-HT(2A), 5-HT(2B), and 5-HT(2C) receptor antagonists: synthesis, pharmacology, 3D-QSAR, and molecular modeling of (aminoalkyl)benzo and heterocycloalkanones. Abstract: A series of 52 conformationally constrained butyrophenones have been synthesized and pharmacologically tested as antagonists at 5-HT(2A), 5-HT(2B), and 5-HT(2C) serotonin receptors, useful for dissecting the role of each 5-HT(2) subtype in pathophysiology. These compounds were also a consistent set for the id... aid5668.table aid5668.tbin
5669 3 Title: N-(1-methyl-5-indolyl)-N'-(3-methyl-5-isothiazolyl)urea: a novel, high-affinity 5-HT2B receptor antagonist. aid5669.table aid5669.tbin
5670 1 Title: N-(1-methyl-5-indolyl)-N'-(3-methyl-5-isothiazolyl)urea: a novel, high-affinity 5-HT2B receptor antagonist. aid5670.table aid5670.tbin
5671 1 Title: (R)-3,N-dimethyl-N-[1-methyl-3-(4-methyl-piperidin-1-yl) propyl]benzenesulfonamide: the first selective 5-HT7 receptor antagonist. aid5671.table aid5671.tbin
5672 5 Title: Bicyclic piperazinylbenzenesulphonamides are potent and selective 5-HT6 receptor antagonists. Abstract: The synthesis of novel 3-(octahydropyrido[1,2-a]pyrazin-2-yl)- and 3-(hexahydropyrrolo[1,2-a]pyrazin-2-yl)phenyl-2-benzo[b]thiophene sulphonamide derivatives 3, (S)-4 and (R)-4 is described. The compounds show high affinity for the 5-HT6 receptor, excellent selectivity against a range of other receptors and good brain penetration. aid5672.table aid5672.tbin
5673 2 Title: Potent, selective tetrahydro-beta-carboline antagonists of the serotonin 2B (5HT2B) contractile receptor in the rat stomach fundus. Abstract: A series of potent, selective 5HT2B receptor antagonists has been identified based upon yohimbine, with SAR studies resulting in a 1000-fold increase in 5HT2B receptor affinity relative to the starting structure (-log KBS &gt; 10.0 have been obtained). These high-affinity tetrahydro-beta-carboline antagonists are able to discriminate among the 5HT2 ... aid5673.table aid5673.tbin
5674 1 Title: Potent, selective tetrahydro-beta-carboline antagonists of the serotonin 2B (5HT2B) contractile receptor in the rat stomach fundus. Abstract: A series of potent, selective 5HT2B receptor antagonists has been identified based upon yohimbine, with SAR studies resulting in a 1000-fold increase in 5HT2B receptor affinity relative to the starting structure (-log KBS &gt; 10.0 have been obtained). These high-affinity tetrahydro-beta-carboline antagonists are able to discriminate among the 5HT2 ... aid5674.table aid5674.tbin
5675 1 Title: Potent, selective tetrahydro-beta-carboline antagonists of the serotonin 2B (5HT2B) contractile receptor in the rat stomach fundus. Abstract: A series of potent, selective 5HT2B receptor antagonists has been identified based upon yohimbine, with SAR studies resulting in a 1000-fold increase in 5HT2B receptor affinity relative to the starting structure (-log KBS &gt; 10.0 have been obtained). These high-affinity tetrahydro-beta-carboline antagonists are able to discriminate among the 5HT2 ... aid5675.table aid5675.tbin
5676 3 Title: 1-(2,5-Dimethoxy-4-(trifluoromethyl)phenyl)-2-aminopropane: a potent serotonin 5-HT2A/2C agonist. Abstract: A method was found to synthesize 1-(2,5-dimethoxy-4-(trifluoromethyl) phenyl)-2-aminopropane, 5, and its des-alpha-methyl congener 2-(2,5-dimethoxy-4-(trifluoromethyl)phenyl)aminoethane, 6, the trifluoromethyl analogs of substituted hallucinogenic phenethylamine derivatives such as 1-(2,5-dimethoxy-4-iodophenyl)-2-aminopropane (3, DOI) that are potent 5-HT2A/2C agonists. In our hand... aid5676.table aid5676.tbin
5677 1 Title: Influence of chain length and N-alkylation on the selective serotonin receptor ligand 9-(aminomethyl)-9,10-dihydroanthracene. Abstract: Comparison of the serotonin 5-HT2A receptor affinities of chain lengthened and N-alkylated analogues of the novel ligand 9-aminomethyl-9,10-dihydroanthracene (AMDA) and a structurally similar prototypical tricyclic amine imipramine suggests that the two agents bind to the receptor in different fashions. The demonstration that AMDA is highly selective for ... aid5677.table aid5677.tbin
5678 1 Title: Influence of chain length and N-alkylation on the selective serotonin receptor ligand 9-(aminomethyl)-9,10-dihydroanthracene. Abstract: Comparison of the serotonin 5-HT2A receptor affinities of chain lengthened and N-alkylated analogues of the novel ligand 9-aminomethyl-9,10-dihydroanthracene (AMDA) and a structurally similar prototypical tricyclic amine imipramine suggests that the two agents bind to the receptor in different fashions. The demonstration that AMDA is highly selective for ... aid5678.table aid5678.tbin
5679 1 Title: Influence of chain length and N-alkylation on the selective serotonin receptor ligand 9-(aminomethyl)-9,10-dihydroanthracene. Abstract: Comparison of the serotonin 5-HT2A receptor affinities of chain lengthened and N-alkylated analogues of the novel ligand 9-aminomethyl-9,10-dihydroanthracene (AMDA) and a structurally similar prototypical tricyclic amine imipramine suggests that the two agents bind to the receptor in different fashions. The demonstration that AMDA is highly selective for ... aid5679.table aid5679.tbin
5680 3 Title: 1-(2,5-Dimethoxy-4-(trifluoromethyl)phenyl)-2-aminopropane: a potent serotonin 5-HT2A/2C agonist. Abstract: A method was found to synthesize 1-(2,5-dimethoxy-4-(trifluoromethyl) phenyl)-2-aminopropane, 5, and its des-alpha-methyl congener 2-(2,5-dimethoxy-4-(trifluoromethyl)phenyl)aminoethane, 6, the trifluoromethyl analogs of substituted hallucinogenic phenethylamine derivatives such as 1-(2,5-dimethoxy-4-iodophenyl)-2-aminopropane (3, DOI) that are potent 5-HT2A/2C agonists. In our hand... aid5680.table aid5680.tbin
5681 1 Title: Potent, selective tetrahydro-beta-carboline antagonists of the serotonin 2B (5HT2B) contractile receptor in the rat stomach fundus. Abstract: A series of potent, selective 5HT2B receptor antagonists has been identified based upon yohimbine, with SAR studies resulting in a 1000-fold increase in 5HT2B receptor affinity relative to the starting structure (-log KBS &gt; 10.0 have been obtained). These high-affinity tetrahydro-beta-carboline antagonists are able to discriminate among the 5HT2 ... aid5681.table aid5681.tbin
5682 9 Title: Potent, selective tetrahydro-beta-carboline antagonists of the serotonin 2B (5HT2B) contractile receptor in the rat stomach fundus. Abstract: A series of potent, selective 5HT2B receptor antagonists has been identified based upon yohimbine, with SAR studies resulting in a 1000-fold increase in 5HT2B receptor affinity relative to the starting structure (-log KBS &gt; 10.0 have been obtained). These high-affinity tetrahydro-beta-carboline antagonists are able to discriminate among the 5HT2 ... aid5682.table aid5682.tbin
5683 35 Title: Novel and selective partial agonists of 5-HT3 receptors. 2. Synthesis and biological evaluation of piperazinopyridopyrrolopyrazines, piperazinopyrroloquinoxalines, and piperazinopyridopyrroloquinoxalines. Abstract: In continuation of our previous work on piperazinopyrrolothienopyrazine derivatives, three series of piperazinopyridopyrrolopyrazines, piperazinopyrroloquinoxalines, and piperazinopyridopyrroloquinoxalines were prepared and evaluated as 5-HT3 receptor ligands. The chemical modi... aid5683.table aid5683.tbin
5684 1 Title: Novel selective and partial agonists of 5-HT3 receptors. Part 1. Synthesis and biological evaluation of piperazinopyrrolothienopyrazines. Abstract: A series of piperazinopyrrolo[1,2-a]thieno[3,2-e]- and -[2,3-e]pyrazine derivatives were prepared and evaluated in order to determine the necessary requirements for high affinity on the 5-HT3 receptors and high selectivity versus other 5-HT receptor subtypes. Various substitutions on the piperazine and the thiophene ring of the pyrrolothienopy... aid5684.table aid5684.tbin
5685 46 Title: Novel selective and partial agonists of 5-HT3 receptors. Part 1. Synthesis and biological evaluation of piperazinopyrrolothienopyrazines. Abstract: A series of piperazinopyrrolo[1,2-a]thieno[3,2-e]- and -[2,3-e]pyrazine derivatives were prepared and evaluated in order to determine the necessary requirements for high affinity on the 5-HT3 receptors and high selectivity versus other 5-HT receptor subtypes. Various substitutions on the piperazine and the thiophene ring of the pyrrolothienopy... aid5685.table aid5685.tbin
5686 18 Title: Novel benzothiazolin-2-one and benzoxazin-3-one arylpiperazine derivatives with mixed 5HT1A/D2 affinity as potential atypical antipsychotics. Abstract: Since it was known that 5HT properties (5HT1A agonism or 5HT2A antagonism) combined with D2 antagonism may lead to atypical antipsychotic drugs, a series of 19 benzothiazolin-2-one and benzoxazin-3-one derivatives possessing the arylpiperazine moiety was prepared, and their binding profiles were investigated. All tested compounds displayed... aid5686.table aid5686.tbin
5687 5 Compound was tested for its ability to displace [3H]mesulergine from 5-hydroxytryptamine 2C receptor in pig cortex aid5687.table aid5687.tbin
5688 3 Title: [[(Arylpiperazinyl)alkyl]thio]thieno[2,3-d]pyrimidinone derivatives as high-affinity, selective 5-HT1A receptor ligands. Abstract: A series of 2-[[(4-aryl-1-piperazinyl)alkyl]thio]thieno[2,3-d]pyrimidin-4 (1H)-one and 3-substituted 2-[[(4-aryl-1-piperazinyl)alky]thio]thieno[2,3-d]pyrimidin-4 (3H)-one derivatives was prepared and evaluated for in vitro 5-HT1A receptor affinity by radioligand binding assays; the selectivity for 5-HT1A receptors rather than alpha 1-adrenoceptors was also exa... aid5688.table aid5688.tbin
5689 1 Title: Semisynthetic preparation of amentoflavone: A negative modulator at GABA(A) receptors. Abstract: Amentoflavone is found in a number of plants with medicinal properties, including Ginkgo biloba and Hypericum perforatum (St. John's Wort). We have developed a rapid and economic semi-synthetic preparation of amentoflavone from biflavones isolated from autumnal Ginkgo biloba leaves. Several studies have shown that amentoflavone binds to benzodiazepine receptors. Using two electrode voltage-cla... aid5689.table aid5689.tbin
5690 1 Title: N-Substituted (2,3-dihydro-1,4-benzodioxin-2-yl)methylamine derivatives as D(2) antagonists/5-HT(1A) partial agonists with potential as atypical antipsychotic agents. Abstract: A series of N-substituted 1-(2,3-dihydro-1, 4-benzodioxin-2-yl)methylamine derivatives with D(2) antagonist/5-HT(1A) partial agonist activity has been prepared as potential atypical antipsychotic agents. Optimization of in vitro receptor binding activity and in vivo activity in rodent models of psychosis has led to... aid5690.table aid5690.tbin
5691 1 Title: Synthesis and serotonergic activity of N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethylamine and analogues: potent agonists for 5-HT1D receptors. Abstract: The synthesis and the 5-HT receptor activity of a novel series of N,N-dimethyltryptamines substituted in the 5-position with an imidazole, triazole, or tetrazole ring are described. The objective of this work was to identify potent and selective 5-HT1D receptor agonists with high oral bioavailability and low central ner... aid5691.table aid5691.tbin
5692 15 Title: Synthesis and serotonergic activity of N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethylamine and analogues: potent agonists for 5-HT1D receptors. Abstract: The synthesis and the 5-HT receptor activity of a novel series of N,N-dimethyltryptamines substituted in the 5-position with an imidazole, triazole, or tetrazole ring are described. The objective of this work was to identify potent and selective 5-HT1D receptor agonists with high oral bioavailability and low central ner... aid5692.table aid5692.tbin
5693 1 Title: Synthesis and serotonergic activity of N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethylamine and analogues: potent agonists for 5-HT1D receptors. Abstract: The synthesis and the 5-HT receptor activity of a novel series of N,N-dimethyltryptamines substituted in the 5-position with an imidazole, triazole, or tetrazole ring are described. The objective of this work was to identify potent and selective 5-HT1D receptor agonists with high oral bioavailability and low central ner... aid5693.table aid5693.tbin
5694 1 Title: (+)-cis-4,5,7a,8,9,10,11,11a-octahydro-7H-10-methylindolo[1,7- bc][2,6]-naphthyridine: a 5-HT2C/2B receptor antagonist with low 5-HT2A receptor affinity. Abstract: The indolonaphthyridine 8 is described as a selective 5-HT2C/2B vs 5-HT2A receptor antagonist. The compound was synthesized in seven steps starting from indoline and isonicotinic acid chloride. The key step is a photocyclization of the indolinyl tetrahydropyridinocarbamic acid ethyl ester 4 to the cis-octahydroindolo[1, 7-bc][2... aid5694.table aid5694.tbin
5695 1 Title: (+)-cis-4,5,7a,8,9,10,11,11a-octahydro-7H-10-methylindolo[1,7- bc][2,6]-naphthyridine: a 5-HT2C/2B receptor antagonist with low 5-HT2A receptor affinity. Abstract: The indolonaphthyridine 8 is described as a selective 5-HT2C/2B vs 5-HT2A receptor antagonist. The compound was synthesized in seven steps starting from indoline and isonicotinic acid chloride. The key step is a photocyclization of the indolinyl tetrahydropyridinocarbamic acid ethyl ester 4 to the cis-octahydroindolo[1, 7-bc][2... aid5695.table aid5695.tbin
5696 4 Title: The serotonin 5-HT4 receptor. 2. Structure-activity studies of the indole carbazimidamide class of agonists. Abstract: A number of substituted indole carbazimidamides were prepared and evaluated as 5-HT4 receptor agonists by using the isolated field-stimulated guinea pig ileum preparation. Their selectivity for the 5-HT4 receptor was established by examining their affinity for other 5-HT receptors using radioligand-binding techniques. Several selective and highly potent full as well as pa... aid5696.table aid5696.tbin
5697 4 Title: The serotonin 5-HT4 receptor. 2. Structure-activity studies of the indole carbazimidamide class of agonists. Abstract: A number of substituted indole carbazimidamides were prepared and evaluated as 5-HT4 receptor agonists by using the isolated field-stimulated guinea pig ileum preparation. Their selectivity for the 5-HT4 receptor was established by examining their affinity for other 5-HT receptors using radioligand-binding techniques. Several selective and highly potent full as well as pa... aid5697.table aid5697.tbin
5698 1 Title: 2a-[4-(Tetrahydropyridoindol-2-yl)butyl]tetrahydrobenzindole derivatives: new selective antagonists of the 5-hydroxytryptamine7 receptor. Abstract: A series of tetrahydrobenzindoles was prepared, and the affinity of these compounds for the 5-hydroxytryptamine7 (5-HT7) receptor and other receptors was evaluated. Most of the compounds showed high affinity for the 5-HT7 receptor, and 2a-[4-(tetrahydropyridoindol-2-yl)butyl]tetrahydrobenzindole derivatives (26a-j) exhibited high selectivity f... aid5698.table aid5698.tbin
5699 4 In Vitro Binding affinity againist 5-hydroxytryptamine 2C receptor by displacing [3H]mesulergine from pig cortex aid5699.table aid5699.tbin
5700 1 Title: Tetrahydrothienopyridylbutyl-tetrahydrobenzindoles: new selective ligands of the 5-HT(7) receptor. Abstract: The synthesis and the affinity for the 5-HT(7) receptor and other receptors of a novel series of fused-ring tetrahydropyridine derivatives are described. Some of the compounds showed high affinity for the 5-HT(7) receptor. Tetrahydrothienopyridylbutyl-tetrahydrobenzindoles and are potent ligands for the 5-HT(7) receptor, with high selectivity over the 5-HT(2) receptor and other rec... aid5700.table aid5700.tbin
5701 2 Title: Synthesis and serotonergic activity of N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethylamine and analogues: potent agonists for 5-HT1D receptors. Abstract: The synthesis and the 5-HT receptor activity of a novel series of N,N-dimethyltryptamines substituted in the 5-position with an imidazole, triazole, or tetrazole ring are described. The objective of this work was to identify potent and selective 5-HT1D receptor agonists with high oral bioavailability and low central ner... aid5701.table aid5701.tbin
5702 4 Title: Dihydrobenzofuran analogues of hallucinogens. 4. Mescaline derivatives. Abstract: Dihydrobenzofuran and tetrahydrobenzodifuran functionalities were employed as conformationally restricted bioisosteres of the aromatic methoxy groups in the prototypical hallucinogen, mescaline (1). Thus, 4-(2-aminoethyl)-6,7-dimethoxy-2,3-dihydrobenzofuran hydrochloride (8) and 1-(8-methoxy-2,3,5,6-tetrahydrobenzo[1,2-b:5,4-b']difuran-4-yl)-2- aminoethane hydrochloride (9) were prepared and evaluated along ... aid5702.table aid5702.tbin
5703 14 Title: New (sulfonyloxy)piperazinyldibenzazepines as potential atypical antipsychotics: chemistry and pharmacological evaluation. Abstract: A series of 2- or 8-trifluoromethylsulfonyloxy (TfO) and 2- or 8-methylsulfonyloxy (MsO) 11-piperazinyldibenzodiazepines, -oxazepines, and -thiazepines were synthesized and evaluated in pharmacological models for their potential clozapine-like properties. In receptor binding assays, the 2-TfO analogues (18a, GMC2-83; 24, GMC3-06; and previously reported GMC1... aid5703.table aid5703.tbin
5704 1 Title: New (sulfonyloxy)piperazinyldibenzazepines as potential atypical antipsychotics: chemistry and pharmacological evaluation. Abstract: A series of 2- or 8-trifluoromethylsulfonyloxy (TfO) and 2- or 8-methylsulfonyloxy (MsO) 11-piperazinyldibenzodiazepines, -oxazepines, and -thiazepines were synthesized and evaluated in pharmacological models for their potential clozapine-like properties. In receptor binding assays, the 2-TfO analogues (18a, GMC2-83; 24, GMC3-06; and previously reported GMC1... aid5704.table aid5704.tbin
5705 1 Title: New (sulfonyloxy)piperazinyldibenzazepines as potential atypical antipsychotics: chemistry and pharmacological evaluation. Abstract: A series of 2- or 8-trifluoromethylsulfonyloxy (TfO) and 2- or 8-methylsulfonyloxy (MsO) 11-piperazinyldibenzodiazepines, -oxazepines, and -thiazepines were synthesized and evaluated in pharmacological models for their potential clozapine-like properties. In receptor binding assays, the 2-TfO analogues (18a, GMC2-83; 24, GMC3-06; and previously reported GMC1... aid5705.table aid5705.tbin
5706 1 Title: Novel and highly potent 5-HT3 receptor agonists based on a pyrroloquinoxaline structure. Abstract: The synthesis and the biological evaluation of a series of novel pyrroloquinoxaline derivatives are described. In binding studies several compounds proved to be potent and selective 5-HT3 receptor ligands. The most active pyrroloquinoxalines, 11d and 11e, showed a subnanomolar affinity for 5-HT3 receptor and were able to functionally discriminate the central and peripheral 5-HT3 receptor, be... aid5706.table aid5706.tbin
5707 6 Title: Novel and highly potent 5-HT3 receptor agonists based on a pyrroloquinoxaline structure. Abstract: The synthesis and the biological evaluation of a series of novel pyrroloquinoxaline derivatives are described. In binding studies several compounds proved to be potent and selective 5-HT3 receptor ligands. The most active pyrroloquinoxalines, 11d and 11e, showed a subnanomolar affinity for 5-HT3 receptor and were able to functionally discriminate the central and peripheral 5-HT3 receptor, be... aid5707.table aid5707.tbin
5708 9 Title: Synthesis and pharmacological evaluation of triflate-substituted analogues of clozapine: identification of a novel atypical neuroleptic. Abstract: The trifluoromethanesulfonyloxy (TfO) analogues 3 and 4 of 8-chloro-11-(4-methyl-1-piperazinyl)-5H-dibenzo[b,e][1,4]diazepine (clozapine, 1) and its 2-chloro isomer (iso-clozapine, 2), respectively, were synthesized via their OMe and OH analogues with the conventional synthetic method of the tricyclic dibenzodiazepines and evaluated pharmacolog... aid5708.table aid5708.tbin
5709 1 Title: Synthesis and pharmacological testing of 1,2,3,4,10,14b-hexahydro-6-methoxy-2-methyldibenzo[c,f]pyrazino[1,2-a]azepin and its enantiomers in comparison with the two antidepressants mianserin and mirtazapine. Abstract: The synthesis and resolution of 1,2,3,4,10,14b-hexahydro-6-methoxy-2-methyldibenzo[c,f]pyrazino[1,2-a]azepin (6-methoxymianserin, 6) are described. Furthermore, the in vitro and in vivo effects of 6 and its enantiomers are presented. 6 displayed high affinity for the 5-HT2A/... aid5709.table aid5709.tbin
5710 5 Title: Novel potent and selective central 5-HT3 receptor ligands provided with different intrinsic efficacy. 1. Mapping the central 5-HT3 receptor binding site by arylpiperazine derivatives. Abstract: Synthesis and pharmacological evaluation of a series of condensed quinoline and pyridine derivatives bearing a N-methylpiperazine moiety attached to the 2-position of the quinoline or pyridine nucleus are described. 5-HT receptor binding studies revealed subnanomolar affinity for the 5-HT3 receptor... aid5710.table aid5710.tbin
5711 1 Title: Synthesis and structure-affinity relationship investigations of 5-heteroaryl-substituted analogues of the antipsychotic sertindole. A new class of highly selective alpha(1) adrenoceptor antagonists. Abstract: A new class of 5-heteroaryl-substituted 1-(4-fluorophenyl)-3-(4-piperidinyl)-1H-indoles as highly selective and potentially CNS-active alpha 1-adrenoceptor antagonists is described. The compounds are derived from the antipsychotic sertindole. The structure-affinity relationships of t... aid5711.table aid5711.tbin
5712 21 Title: Synthesis and structure-affinity relationship investigations of 5-heteroaryl-substituted analogues of the antipsychotic sertindole. A new class of highly selective alpha(1) adrenoceptor antagonists. Abstract: A new class of 5-heteroaryl-substituted 1-(4-fluorophenyl)-3-(4-piperidinyl)-1H-indoles as highly selective and potentially CNS-active alpha 1-adrenoceptor antagonists is described. The compounds are derived from the antipsychotic sertindole. The structure-affinity relationships of t... aid5712.table aid5712.tbin
5713 7 Title: Binding of 5H-dibenzo[a,d]cycloheptene and dibenz[b,f]oxepin analogues of clozapine to dopamine and serotonin receptors. Abstract: Series of 5,11-dicarbo- and 11-carbo-5-oxy-10-(1-alkyl-1,2,3,6-tetrahydro-4 pyridinyl) analogues and a 11-carbo-5-oxy-10-(1-methyl-4-piperidinyl) analogue of the atypical antipsychotic agent clozapine were prepared and tested for binding to the dopamine D-2L and D-4 and serotonin S-2A and S-2C receptors. Some of these analogues were found to have dopamine D-2L... aid5713.table aid5713.tbin
5714 7 Title: Binding of 5H-dibenzo[a,d]cycloheptene and dibenz[b,f]oxepin analogues of clozapine to dopamine and serotonin receptors. Abstract: Series of 5,11-dicarbo- and 11-carbo-5-oxy-10-(1-alkyl-1,2,3,6-tetrahydro-4 pyridinyl) analogues and a 11-carbo-5-oxy-10-(1-methyl-4-piperidinyl) analogue of the atypical antipsychotic agent clozapine were prepared and tested for binding to the dopamine D-2L and D-4 and serotonin S-2A and S-2C receptors. Some of these analogues were found to have dopamine D-2L... aid5714.table aid5714.tbin
5715 11 Title: Binding of 5H-dibenzo[b,e][1,4]diazepine and chiral 5H-dibenzo[a,d]cycloheptene analogues of clozapine to dopamine and serotonin receptors. Abstract: 5H-Dibenzo[b,e][1,4]diazepine, dibenz[b,f]oxepin, and 5H-dibenzo[a,d]cycloheptene analogues of clozapine [8-chloro-11-(4-methylpiperazino)-5H- dibenzo[b,e][1,4]diazepine] were evaluated for their binding affinity to dopamine D-1, D-2, and D-4 and serotonin S-2A (5-HT2A), S-2C (5-HT2C) and S-3 (5-HT3) receptors. The diazepine analogues displa... aid5715.table aid5715.tbin
5716 11 Title: Binding of 5H-dibenzo[b,e][1,4]diazepine and chiral 5H-dibenzo[a,d]cycloheptene analogues of clozapine to dopamine and serotonin receptors. Abstract: 5H-Dibenzo[b,e][1,4]diazepine, dibenz[b,f]oxepin, and 5H-dibenzo[a,d]cycloheptene analogues of clozapine [8-chloro-11-(4-methylpiperazino)-5H- dibenzo[b,e][1,4]diazepine] were evaluated for their binding affinity to dopamine D-1, D-2, and D-4 and serotonin S-2A (5-HT2A), S-2C (5-HT2C) and S-3 (5-HT3) receptors. The diazepine analogues displa... aid5716.table aid5716.tbin
5717 2 Title: A novel fluorinated tryptamine with highly potent serotonin 5-HT1A receptor agonist properties. Abstract: Synthesis and biological evaluation of a novel fluorinated tryptamine analogue are described. This new compound 1-(4-fluoro-5-methoxyindol-3-yl)pyrrolidine (2) was found to be a potent serotonin 5-HT1A agonist. aid5717.table aid5717.tbin
5718 26 Title: Ketanserin analogues: the effect of structural modification on 5-HT2 serotonin receptor binding. Abstract: Ketanserin (1) is a fairly selective 5-HT2 antagonist that binds both at 5-HT2A and 5-HT2C receptors. A previous structure-affinity relationship study revealed that the structure of the piperidine-containing ketanserin molecule could be rather severely abbreviated with little effect on 5-HT2A affinity. The present investigation explores several inconsistencies identified in the earli... aid5718.table aid5718.tbin
5719 1 Title: Lysergamides of isomeric 2,4-dimethylazetidines map the binding orientation of the diethylamide moiety in the potent hallucinogenic agent N,N-diethyllysergamide (LSD). Abstract: Lysergic acid amides were prepared from (R,R)-(-)-, (S,S)-(+)-, and cis-2,4-dimethyl azetidine. The dimethylazetidine moiety is considered here to be a rigid analogue of diethylamine, and thus, the target compounds are all conformationally constrained analogues of the potent hallucinogenic agent, N,N-diethyllyserg... aid5719.table aid5719.tbin
5720 27 Title: 1-[2-methoxy-5-(3-phenylpropyl)]-2-aminopropane unexpectedly shows 5-HT(2A) serotonin receptor affinity and antagonist character. Abstract: Certain phenylethylamines, such as 1-(4-bromo-2,5-dimethoxyphenyl)-2-aminopropane (DOB; 1a), are high-affinity 5-HT(2) agonists. Previous structure-affinity studies have concluded that both the 2,5-dimethoxy substitution pattern and the nature of substituents at the 4-position are important determinants of high affinity. We recently demonstrated that ... aid5720.table aid5720.tbin
5721 15 Title: Enantiospecific synthesis and pharmacological evaluation of a series of super-potent, conformationally restricted 5-HT(2A/2C) receptor agonists. Abstract: The affinity of ligands for either the 5-HT(2A) or 5-HT(2C) agonist binding site was enhanced by modification of the 2,5-oxygen substituents that are found in typical hallucinogenic amphetamines such as 4b (DOB). Restriction of the conformationally flexible 2,5-dimethoxy substituents into fused dihydrofuran rings generally resulted in i... aid5721.table aid5721.tbin
5722 2 Title: (R)-(+)-2-[[[3-(Morpholinomethyl)-2H-chromen-8-yl]oxy]methyl] morpholine methanesulfonate: a new selective rat 5-hydroxytryptamine1B receptor antagonist. Abstract: In the search for new 5-hydroxytryptamine (5-HT) receptor antagonists it was found that the compound (R)-(+)-2-[[[3-(morpholinomethyl)-2H-chromen-8-yl]oxy] methyl] morpholine methanesulfonate, (R)-25, is a selective rat 5-hydroxytryptamine1B (r5-HT1B) receptor antagonist. The binding profile showed a 13-fold preference for r5-H... aid5722.table aid5722.tbin
5723 3 Title: Novel potent and selective central 5-HT3 receptor ligands provided with different intrinsic efficacy. 2. Molecular basis of the intrinsic efficacy of arylpiperazine derivatives at the central 5-HT3 receptors. Abstract: Novel 5-HT3 receptor ligands were designed and synthesized with the aim of obtaining deeper insight into the molecular basis of the intrinsic efficacy of arylpiperazines interacting with the central 5-HT3 receptor. The newly synthesized compounds and some previously publish... aid5723.table aid5723.tbin
5724 2 Title: Novel potent and selective central 5-HT3 receptor ligands provided with different intrinsic efficacy. 2. Molecular basis of the intrinsic efficacy of arylpiperazine derivatives at the central 5-HT3 receptors. Abstract: Novel 5-HT3 receptor ligands were designed and synthesized with the aim of obtaining deeper insight into the molecular basis of the intrinsic efficacy of arylpiperazines interacting with the central 5-HT3 receptor. The newly synthesized compounds and some previously publish... aid5724.table aid5724.tbin
5725 26 Title: 1-[4-(3-Phenylalkyl)phenyl]-2-aminopropanes as 5-HT(2A) partial agonists. Abstract: Phenylalkylamines such as 1-(4-bromo-2, 5-dimethoxyphenyl)-2-aminopropane (DOB; 1a) and its corresponding iodo derivative DOI (2) are commonly used 5-HT(2) serotonin agonists. Previous studies have established that the 2,5-dimethoxy substitution pattern found in these compounds is optimal for high affinity at 5-HT(2A) receptors and that substituents at the 4-position can modulate affinity over a wide range... aid5725.table aid5725.tbin
5726 3 Title: Lysergamides of isomeric 2,4-dimethylazetidines map the binding orientation of the diethylamide moiety in the potent hallucinogenic agent N,N-diethyllysergamide (LSD). Abstract: Lysergic acid amides were prepared from (R,R)-(-)-, (S,S)-(+)-, and cis-2,4-dimethyl azetidine. The dimethylazetidine moiety is considered here to be a rigid analogue of diethylamine, and thus, the target compounds are all conformationally constrained analogues of the potent hallucinogenic agent, N,N-diethyllyserg... aid5726.table aid5726.tbin
5727 20 Title: Binding of beta-carbolines at 5-HT(2) serotonin receptors. Abstract: A series of ring-substituted (i.e., methoxy and bromo) 3,4-dihydro- and 1,2,3,4-tetrahydro-beta-carbolines was examined at 5-HT(2A) and 5-HT(2C) serotonin receptors. Whereas most of the methoxy-substituted derivatives typically displayed affinities similar to their unsubstituted parents, certain (particularly 8-substituted) bromo derivatives displayed enhanced affinity. A binding profile was obtained for selected beta-ca... aid5727.table aid5727.tbin
5728 26 Title: Binding of tetrahydrocarboline derivatives at human 5-HT5A receptors. Abstract: On the basis of an earlier finding that 5-methyl-5H-1,2,3,4-tetrahydropyrido[4,3-b]indole (5-methyl-1,2,3,4-tetrahydro-gamma-carboline; 1) binds at murine 5-HT(5A) receptors, preliminary structure-affinity studies were conducted. The present investigation extends these structure-affinity studies using human 5-HT(5A) receptors and examined additional analogues of 1. It was found (a) that there is little intersp... aid5728.table aid5728.tbin
5729 3 Title: 5-(Nonyloxy)tryptamine: a novel high-affinity 5-HT1D beta serotonin receptor agonist. aid5729.table aid5729.tbin
5730 5 Title: Cyclopentadienyltricarbonylrheniumbenzazepines: synthesis and binding affinity. Abstract: Analogues of the benzazepine dopamine D1 receptor antagonist SCH-23390 incorporating the cyclo-pentadienyltricarbonyl-rhenium (CPTR) moiety were synthesized and evaluated pharmacologically. The CPTR derivatives retained affinity (0.3-2.9 nM) and D1 selectivity of the parent compound, supporting their use as neuropharmacological surrogates for 99mTc-labeled SPECT radiopharmaceuticals. aid5730.table aid5730.tbin
5731 3 Title: Translocation of the 5-alkoxy substituent of 2,5-dialkoxyarylalkylamines to the 6-position: effects on 5-HT(2A/2C) receptor affinity. Abstract: Positional modification of 2,5-dimethoxyamphetamine analogues has been studied. Specifically, the 5-alkoxy substituent was translocated to the 6-position of the phenyl nucleus. Methoxy groups were also constrained by incorporation into appended dihydrofuran and furan rings. 2,6-Dimethoxy-4-methylamphetamine had an approximately 3-fold lower affini... aid5731.table aid5731.tbin
5732 1 Title: Translocation of the 5-alkoxy substituent of 2,5-dialkoxyarylalkylamines to the 6-position: effects on 5-HT(2A/2C) receptor affinity. Abstract: Positional modification of 2,5-dimethoxyamphetamine analogues has been studied. Specifically, the 5-alkoxy substituent was translocated to the 6-position of the phenyl nucleus. Methoxy groups were also constrained by incorporation into appended dihydrofuran and furan rings. 2,6-Dimethoxy-4-methylamphetamine had an approximately 3-fold lower affini... aid5732.table aid5732.tbin
5733 1 Title: N1-(Benzenesulfonyl)tryptamines as novel 5-HT6 antagonists. Abstract: N-Benzenesulfonyl-5-methoxy-N,N-dimethyltryptamine (BS/5-OMe DMT; 5) was shown to bind at human 5-HT6 serotonin receptors with high affinity (Ki = 2.3 nM) relative to serotonin (Ki = 78 nM). Structural variation failed to result in significantly enhanced affinity. BS/5-OMe DMT acts as an antagonist of 5-HT-stimulated adenylate cyclase (pA2 = 8.88 nM) and may represent the first member of a novel class of 5-HT6 antagonis... aid5733.table aid5733.tbin
5734 3 Title: 2-Substituted tryptamines: agents with selectivity for 5-HT(6) serotonin receptors. Abstract: Several 2-alkyl-5-methoxytryptamine analogues were designed and prepared as potential 5-HT(6) serotonin agonists. It was found that 5-HT(6) receptors accommodate small alkyl substituents at the indole 2-position and that the resulting compounds can bind with affinities comparable to that of serotonin. In particular, 2-ethyl-5-methoxy-N, N-dimethyltryptamine (8) binds with high affinity at human 5... aid5734.table aid5734.tbin
5735 1 Title: 2-Substituted tryptamines: agents with selectivity for 5-HT(6) serotonin receptors. Abstract: Several 2-alkyl-5-methoxytryptamine analogues were designed and prepared as potential 5-HT(6) serotonin agonists. It was found that 5-HT(6) receptors accommodate small alkyl substituents at the indole 2-position and that the resulting compounds can bind with affinities comparable to that of serotonin. In particular, 2-ethyl-5-methoxy-N, N-dimethyltryptamine (8) binds with high affinity at human 5... aid5735.table aid5735.tbin
5736 18 Title: Spiperone: influence of spiro ring substituents on 5-HT2A serotonin receptor binding. Abstract: Spiperone (1) is a widely used pharmacological tool that acts as a potent dopamine D2, serotonin 5-HT1A, and serotonin 5-HT2A antagonist. Although spiperone also binds at 5-HT2C receptors, it is one of the very few agents that display some (ca. 1000-fold) binding selectivity for 5-HT2A versus 5-HT2C receptors and, hence, might serve as a useful template for the development of novel 5-HT2A antag... aid5736.table aid5736.tbin
5737 8 Title: Effect of ring fluorination on the pharmacology of hallucinogenic tryptamines. Abstract: A series of fluorinated analogues of the hallucinogenic tryptamines N,N-diethyltryptamine (DET), 4-hydroxy-N,N-dimethyltryptamine (4-OH-DMT, psilocin), and 5-methoxy-DMT was synthesized to investigate possible explanations for the inactivity of 6-fluoro-DET as a hallucinogen and to determine the effects of fluorination on the molecular recognition and activation of these compounds at serotonin recepto... aid5737.table aid5737.tbin
5738 9 Title: Synthesis and pharmacological characterization of a series of geometrically constrained 5-HT(2A/2C) receptor ligands. Abstract: In studies of the SAR of phenethylamine-type serotonin 5-HT(2A) receptor agonists, substituted conformationally constrained tetrahydronaphthofurans were designed to investigate the optimal conformation of the 2-aminoethyl moiety. These compounds were tested using in vitro assays for affinity at 5-HT(1A), 5-HT(2A), and 5-HT(2C) receptors. The benzofuran-containing... aid5738.table aid5738.tbin
5739 6 Title: Synthesis and pharmacological testing of 1,2,3,4,10,14b-hexahydro-6-methoxy-2-methyldibenzo[c,f]pyrazino[1,2-a]azepin and its enantiomers in comparison with the two antidepressants mianserin and mirtazapine. Abstract: The synthesis and resolution of 1,2,3,4,10,14b-hexahydro-6-methoxy-2-methyldibenzo[c,f]pyrazino[1,2-a]azepin (6-methoxymianserin, 6) are described. Furthermore, the in vitro and in vivo effects of 6 and its enantiomers are presented. 6 displayed high affinity for the 5-HT2A/... aid5739.table aid5739.tbin
5740 1 Title: Influence of amine substituents on 5-HT2A versus 5-HT2C binding of phenylalkyl- and indolylalkylamines. Abstract: The effect of 15 different amine substituents on 5-HT2A and 5-HT2C serotonin receptor binding was investigated for two series of compounds (i.e., phenylalkylamine and indolylalkylamine derivatives). In general, amine substitution decreases receptor affinity; however, N-(4-bromobenzyl) substitution results in compounds that bind at 5-HT2A receptors with high affinity (Ki &lt; 1... aid5740.table aid5740.tbin
5741 32 Title: Influence of amine substituents on 5-HT2A versus 5-HT2C binding of phenylalkyl- and indolylalkylamines. Abstract: The effect of 15 different amine substituents on 5-HT2A and 5-HT2C serotonin receptor binding was investigated for two series of compounds (i.e., phenylalkylamine and indolylalkylamine derivatives). In general, amine substitution decreases receptor affinity; however, N-(4-bromobenzyl) substitution results in compounds that bind at 5-HT2A receptors with high affinity (Ki &lt; 1... aid5741.table aid5741.tbin
5742 11 Binding affinity against 5-hydroxytryptamine 2C receptor in rat choroid plexus using [3H]N-methyl-mesulergine aid5742.table aid5742.tbin
5743 3 Title: Novel, potent, and selective 5-HT3 receptor antagonists based on the arylpiperazine skeleton: synthesis, structure, biological activity, and comparative molecular field analysis studies. Abstract: Synthesis and pharmacological evaluation of a series of condensed quinoline derivatives bearing a basic nitrogen on piperazine or [(dimethylamino)ethyl]thio moieties attached at the 2-position of the quinoline nucleus are described. 5-HT receptor binding studies revealed, for most of the compoun... aid5743.table aid5743.tbin
5744 1 Title: Novel, potent, and selective 5-HT3 receptor antagonists based on the arylpiperazine skeleton: synthesis, structure, biological activity, and comparative molecular field analysis studies. Abstract: Synthesis and pharmacological evaluation of a series of condensed quinoline derivatives bearing a basic nitrogen on piperazine or [(dimethylamino)ethyl]thio moieties attached at the 2-position of the quinoline nucleus are described. 5-HT receptor binding studies revealed, for most of the compoun... aid5744.table aid5744.tbin
5745 1 Title: Novel, potent, and selective 5-HT3 receptor antagonists based on the arylpiperazine skeleton: synthesis, structure, biological activity, and comparative molecular field analysis studies. Abstract: Synthesis and pharmacological evaluation of a series of condensed quinoline derivatives bearing a basic nitrogen on piperazine or [(dimethylamino)ethyl]thio moieties attached at the 2-position of the quinoline nucleus are described. 5-HT receptor binding studies revealed, for most of the compoun... aid5745.table aid5745.tbin
5746 20 Title: Novel, potent, and selective 5-HT3 receptor antagonists based on the arylpiperazine skeleton: synthesis, structure, biological activity, and comparative molecular field analysis studies. Abstract: Synthesis and pharmacological evaluation of a series of condensed quinoline derivatives bearing a basic nitrogen on piperazine or [(dimethylamino)ethyl]thio moieties attached at the 2-position of the quinoline nucleus are described. 5-HT receptor binding studies revealed, for most of the compoun... aid5746.table aid5746.tbin
5747 1 Title: Synthesis and pharmacological characterization of a series of geometrically constrained 5-HT(2A/2C) receptor ligands. Abstract: In studies of the SAR of phenethylamine-type serotonin 5-HT(2A) receptor agonists, substituted conformationally constrained tetrahydronaphthofurans were designed to investigate the optimal conformation of the 2-aminoethyl moiety. These compounds were tested using in vitro assays for affinity at 5-HT(1A), 5-HT(2A), and 5-HT(2C) receptors. The benzofuran-containing... aid5747.table aid5747.tbin
5748 3 Title: Synthesis and structure-affinity relationship investigations of 5-heteroaryl-substituted analogues of the antipsychotic sertindole. A new class of highly selective alpha(1) adrenoceptor antagonists. Abstract: A new class of 5-heteroaryl-substituted 1-(4-fluorophenyl)-3-(4-piperidinyl)-1H-indoles as highly selective and potentially CNS-active alpha 1-adrenoceptor antagonists is described. The compounds are derived from the antipsychotic sertindole. The structure-affinity relationships of t... aid5748.table aid5748.tbin
5749 2 Title: Synthesis and structure-affinity relationship investigations of 5-heteroaryl-substituted analogues of the antipsychotic sertindole. A new class of highly selective alpha(1) adrenoceptor antagonists. Abstract: A new class of 5-heteroaryl-substituted 1-(4-fluorophenyl)-3-(4-piperidinyl)-1H-indoles as highly selective and potentially CNS-active alpha 1-adrenoceptor antagonists is described. The compounds are derived from the antipsychotic sertindole. The structure-affinity relationships of t... aid5749.table aid5749.tbin
5750 1 Title: A novel series of 2,5-substituted tryptamine derivatives as vascular 5HT1B/1D receptor antagonists. Abstract: The design, synthesis, and activity of a novel series of 2,5-substituted tryptamine derivatives at vascular 5HT1B-like receptors is described. Several important auxiliary binding sites of the 5HT1B-like receptor have been proposed following various modifications to the 2-substituent and especially to the methylene- or ethylene-linked 5-side chain. Careful design of new molecules b... aid5750.table aid5750.tbin
5751 2 Title: Synthesis and serotonergic activity of substituted 2, N-benzylcarboxamido-5-(2-ethyl-1-dioxoimidazolidinyl)-N, N-dimethyltryptamine derivatives: novel antagonists for the vascular 5-HT(1B)-like receptor. Abstract: The synthesis and vascular 5-HT(1B)-like receptor activity of a novel series of substituted 2, N-benzylcarboxamido-5-(2-ethyl-1-dioxoimidazolidinyl)-N, N-dimethyltryptamine derivatives are described. Modifications to the 5-ethylene-linked heterocycle and to substituents on the 2... aid5751.table aid5751.tbin
5752 1 Title: Discovery and SAR of org 24598-a selective glycine uptake inhibitor. Abstract: The discovery of Org 24598, one of the first potent and selective inhibitors of the glycine transporter is discussed. In vitro structure-activity relationships (SARs) data for interaction of a ligand with this system is discussed. aid5752.table aid5752.tbin
5753 15 Title: Synthesis, biological activity, and molecular modeling of selective 5-HT(2C/2B) receptor antagonists. Abstract: The synthesis and biological activity are reported for a series of analogues of the previously published indole urea 2 (SB-206553), designed to probe the 5-HT(2C) receptor binding site. Small molecule modeling studies have been used to define a region in space which is allowed at the 5-HT(2C) receptor but disallowed at the 5-HT(2A) receptor. In a complementary approach, docking ... aid5753.table aid5753.tbin
5754 1 Title: N-[(1-butyl-4-piperidinyl)methyl]-3,4dihydro-2H-[1,3]oxazino[3,2- a]indole10-carboxamide hydrochloride: the first potent and selective 5-HT4 receptor antagonist amide with oral activity. aid5754.table aid5754.tbin
5755 6 Compound was evaluated for displacement of [3H]mesulergine from cloned rat 5-hydroxytryptamine 2C receptor in transfected CHO-K1 cells. aid5755.table aid5755.tbin
5756 2 Title: Pyrroloquinoxaline derivatives as high-affinity and selective 5-HT(3) receptor agonists: synthesis, further structure-activity relationships, and biological studies. Abstract: The synthesis, pharmacological evaluation, and structure-activity relationships (SARs) of a series of novel pyrroloquinoxalines and heteroaromatic-related derivatives are described. The new pyrroloquinoxaline-related ligands were tested in rat cortex, a tissue expressing high density of 5-HT(3) receptors, and on NG1... aid5756.table aid5756.tbin
5757 7 Title: Pyrroloquinoxaline derivatives as high-affinity and selective 5-HT(3) receptor agonists: synthesis, further structure-activity relationships, and biological studies. Abstract: The synthesis, pharmacological evaluation, and structure-activity relationships (SARs) of a series of novel pyrroloquinoxalines and heteroaromatic-related derivatives are described. The new pyrroloquinoxaline-related ligands were tested in rat cortex, a tissue expressing high density of 5-HT(3) receptors, and on NG1... aid5757.table aid5757.tbin
5758 1 Title: Synthesis and biological activity of conformationally restricted analogues of milnacipran: (1S, 2R)-1-phenyl-2-[(R)-1-amino-2-propynyl]-N,N- diethylcyclopropanecarboxamide is a novel class of NMDA receptor channel blocker. Abstract: Conformationally restricted analogues of (+/-)-(Z)-2-aminomethyl-1-phenyl-N,N-diethylcyclopropanecarboxamide++ + [milnacipran, (+/-)-1] were designed on the basis of its characteristic cyclopropane structure and were synthesized enantioselectively to develop e... aid5758.table aid5758.tbin
5759 1 Title: First tricyclic oximino derivatives as 5-HT3 ligands. Abstract: The design and synthesis of a new type of 5-HT3 ligand with subnanomolar affinity are described. The O-dialkylaminoethyloximinothienopyrrolizine structure was deduced from molecular modeling studies by replacement of an amidine moiety by an oximino one. aid5759.table aid5759.tbin
5760 1 Title: Combinatorial synthesis of 3-(amidoalkyl) and 3-(aminoalkyl)-2-arylindole derivatives: discovery of potent ligands for a variety of G-protein coupled receptors. Abstract: Preparation and screening of mixture libraries based on a 2-arylindole scaffold resulted in the discovery of potent ligands for a variety of G-protein coupled receptors. aid5760.table aid5760.tbin
5761 1 Title: Substituted naphthofurans as hallucinogenic phenethylamine-ergoline hybrid molecules with unexpected muscarinic antagonist activity. Abstract: A series of substituted racemic naphthofurans were synthesized as &quot;hybrid&quot; molecules of the two major prototypical hallucinogenic drug classes, the phenethylamines and the tryptamines/ergolines. Although it was hypothesized that these new agents might possess high affinity for the serotonin 5-HT2A/2C receptor subtypes, unexpected affinity... aid5761.table aid5761.tbin
5762 3 Title: A novel (benzodifuranyl)aminoalkane with extremely potent activity at the 5-HT2A receptor. aid5762.table aid5762.tbin
5763 8 Title: Synthesis and serotonin receptor affinities of a series of trans-2-(indol-3-yl)cyclopropylamine derivatives. Abstract: A series of four racemic ring-substituted trans-2-(indol-3-yl)cyclopropylamine derivatives was synthesized and tested for affinity at the 5-HT1A receptor, by competition with [3H]-8-OH-DPAT in rat hippocampal homogenates, and for affinity at the agonist-labeled cloned human 5-HT2A, 5-HT2B, and 5-HT2C receptor subtypes. None of the compounds had high affinity for the 5-HT1... aid5763.table aid5763.tbin
5764 14 Title: Indoline derivatives as 5-HT(2C) receptor agonists. Abstract: A series of 1-(1-indolinyl)-2-propylamines was synthesised and evaluated as 5-HT(2C) receptor agonists for the treatment of obesity. The general methods of synthesis of the precursor indoles are described. The functional efficacy and radioligand binding data for all of the compounds at 5-HT(2) receptor subtypes are reported. A number of compounds were found to reduce food intake in rats after oral administration. aid5764.table aid5764.tbin
5765 1 Title: N-[3-(2-Dimethylaminoethyl)-2-methyl-1H- indol-5-yl]-4-fluorobenzamide: a potent, selective, and orally active 5-HT(1F) receptor agonist potentially useful for migraine therapy. Abstract: Recent studies have demonstrated that selective 5-HT(1F) receptor agonists inhibit neurogenic dural inflammation, a model of migraine headache, indicating that these compounds may be effective therapies for the treatment of migraine pain. This communication describes the synthesis and discovery of a nove... aid5765.table aid5765.tbin
5766 1 Title: Thieno[3,2-b]- and thieno[2,3-b]pyrrole bioisosteric analogues of the hallucinogen and serotonin agonist N,N-dimethyltryptamine. Abstract: The synthesis and biological activity of 6-[2-(N, N-dimethylamino)ethyl]-4H-thieno[3,2-b]pyrrole (3a) and 4-[2-(N, N-dimethylamino)ethyl]-6H-thieno[2,3-b]pyrrole (3b), thienopyrroles as potential bioisosteres of N,N-dimethyltryptamine (1a), are reported. Hallucinogen-like activity was evaluated in the two-lever drug discrimination paradigm using LSD- a... aid5766.table aid5766.tbin
5767 1 Title: Thieno[3,2-b]- and thieno[2,3-b]pyrrole bioisosteric analogues of the hallucinogen and serotonin agonist N,N-dimethyltryptamine. Abstract: The synthesis and biological activity of 6-[2-(N, N-dimethylamino)ethyl]-4H-thieno[3,2-b]pyrrole (3a) and 4-[2-(N, N-dimethylamino)ethyl]-6H-thieno[2,3-b]pyrrole (3b), thienopyrroles as potential bioisosteres of N,N-dimethyltryptamine (1a), are reported. Hallucinogen-like activity was evaluated in the two-lever drug discrimination paradigm using LSD- a... aid5767.table aid5767.tbin
5768 1 Title: Thieno[3,2-b]- and thieno[2,3-b]pyrrole bioisosteric analogues of the hallucinogen and serotonin agonist N,N-dimethyltryptamine. Abstract: The synthesis and biological activity of 6-[2-(N, N-dimethylamino)ethyl]-4H-thieno[3,2-b]pyrrole (3a) and 4-[2-(N, N-dimethylamino)ethyl]-6H-thieno[2,3-b]pyrrole (3b), thienopyrroles as potential bioisosteres of N,N-dimethyltryptamine (1a), are reported. Hallucinogen-like activity was evaluated in the two-lever drug discrimination paradigm using LSD- a... aid5768.table aid5768.tbin
5769 2 Title: Novel potent 5-HT(1F) receptor agonists: structure-activity studies of a series of substituted N-[3-(1-methyl-4-piperidinyl)-1H-pyrrolo[3,2-b]pyridin-5-yl]amides. Abstract: Compound 1a (LY334370), a selective 5-HT(1F) receptor agonist (SSOFRA), inhibited dural inflammation in the neurogenic plasma protein extravasation model of migraine and demonstrated clinical efficacy for the acute treatment of migraine. Although 1a was greater than 100-fold selective over both the 5-HT(1B) and 5-HT(1D... aid5769.table aid5769.tbin
5770 10 Title: A novel and selective 5-HT2 receptor agonist with ocular hypotensive activity: (S)-(+)-1-(2-aminopropyl)-8,9-dihydropyrano[3,2-e]indole. Abstract: Serotonin 5-HT2 receptor agonists have recently been shown to be effective in lowering intraocular pressure in nonhuman primates and represent a potential new class of antiglaucoma agents. As part of an effort to identify new selective agonists at this receptor, we have found that (S)-(+)-1-(2-aminopropyl)-8,9-dihydropyrano[3,2-e]indole (AL-373... aid5770.table aid5770.tbin
5771 1 Title: Biarylcarbamoylindolines are novel and selective 5-HT(2C) receptor inverse agonists: identification of 5-methyl-1-[[2-[(2-methyl-3-pyridyl)oxy]- 5-pyridyl]carbamoyl]-6-trifluoromethylindoline (SB-243213) as a potential antidepressant/anxiolytic agent. Abstract: The evolution, synthesis, and biological activity of a novel series of 5-HT(2C) receptor inverse agonists are reported. Biarylcarbamoylindolines have been identified with excellent 5-HT(2C) affinity and selectivity over 5-HT(2A) re... aid5771.table aid5771.tbin
5772 1 Title: Biarylcarbamoylindolines are novel and selective 5-HT(2C) receptor inverse agonists: identification of 5-methyl-1-[[2-[(2-methyl-3-pyridyl)oxy]- 5-pyridyl]carbamoyl]-6-trifluoromethylindoline (SB-243213) as a potential antidepressant/anxiolytic agent. Abstract: The evolution, synthesis, and biological activity of a novel series of 5-HT(2C) receptor inverse agonists are reported. Biarylcarbamoylindolines have been identified with excellent 5-HT(2C) affinity and selectivity over 5-HT(2A) re... aid5772.table aid5772.tbin
5773 13 Title: Indoline derivatives as 5-HT(2C) receptor agonists. Abstract: A series of 1-(1-indolinyl)-2-propylamines was synthesised and evaluated as 5-HT(2C) receptor agonists for the treatment of obesity. The general methods of synthesis of the precursor indoles are described. The functional efficacy and radioligand binding data for all of the compounds at 5-HT(2) receptor subtypes are reported. A number of compounds were found to reduce food intake in rats after oral administration. aid5773.table aid5773.tbin
5774 1 Title: Indoline derivatives as 5-HT(2C) receptor agonists. Abstract: A series of 1-(1-indolinyl)-2-propylamines was synthesised and evaluated as 5-HT(2C) receptor agonists for the treatment of obesity. The general methods of synthesis of the precursor indoles are described. The functional efficacy and radioligand binding data for all of the compounds at 5-HT(2) receptor subtypes are reported. A number of compounds were found to reduce food intake in rats after oral administration. aid5774.table aid5774.tbin
5775 6 Title: A novel, potent, and selective 5-HT(7) antagonist: (R)-3-(2-(2-(4-methylpiperidin-1-yl)ethyl)pyrrolidine-1-sulfonyl) phen ol (SB-269970). aid5775.table aid5775.tbin
5776 22 Title: Biarylcarbamoylindolines are novel and selective 5-HT(2C) receptor inverse agonists: identification of 5-methyl-1-[[2-[(2-methyl-3-pyridyl)oxy]- 5-pyridyl]carbamoyl]-6-trifluoromethylindoline (SB-243213) as a potential antidepressant/anxiolytic agent. Abstract: The evolution, synthesis, and biological activity of a novel series of 5-HT(2C) receptor inverse agonists are reported. Biarylcarbamoylindolines have been identified with excellent 5-HT(2C) affinity and selectivity over 5-HT(2A) re... aid5776.table aid5776.tbin
5777 2 Title: A novel, potent, and selective 5-HT(7) antagonist: (R)-3-(2-(2-(4-methylpiperidin-1-yl)ethyl)pyrrolidine-1-sulfonyl) phen ol (SB-269970). aid5777.table aid5777.tbin
5778 3 Title: 6-Chloro-5-methyl-1-[[2-[(2-methyl-3-pyridyl)oxy]-5-pyridyl]carbamoyl]- indoline (SB-242084): the first selective and brain penetrant 5-HT2C receptor antagonist. aid5778.table aid5778.tbin
5779 9 Title: Novel (4-piperazin-1-ylquinolin-6-yl) arylsulfonamides with high affinity and selectivity for the 5-HT(6) receptor. Abstract: The discovery of (4-piperazin-1-ylquinolin-6-yl) arylsulfonamides and their binding affinities for a selection of 5-HT and dopamine subreceptors is described. Many compounds show high affinity (pK(i)&gt;8) for the 5-HT(6) receptor and &gt;100-fold selectivity against a range of other receptors. Structure-activity relationships of these compounds are discussed. aid5779.table aid5779.tbin
5780 1 Title: Identification of a novel series of selective 5-HT7 receptor antagonists. Abstract: Novel 5-HT(7) receptor antagonists containing the benzocycloheptanone core were identified from high throughput screening. Molecular modelling and SAR studies have converted these intractable hits into a more potent, selective and tractable series, exemplified by compound (25), SB-691673. aid5780.table aid5780.tbin
5781 2 Title: A novel, potent, and selective 5-HT(7) antagonist: (R)-3-(2-(2-(4-methylpiperidin-1-yl)ethyl)pyrrolidine-1-sulfonyl) phen ol (SB-269970). aid5781.table aid5781.tbin
5782 7 Title: Novel and selective 5-HT2C/2B receptor antagonists as potential anxiolytic agents: synthesis, quantitative structure-activity relationships, and molecular modeling of substituted 1-(3-pyridylcarbamoyl)indolines. Abstract: The synthesis, biological activity, and molecular modeling of a novel series of substituted 1-(3-pyridylcarbamoyl)indolines are reported. These compounds are isosteres of the previously published indole urea 1 (SB-206553) and illustrate the use of aromatic disubstitution... aid5782.table aid5782.tbin
5783 41 Title: 1-[2-[(Heteroaryloxy)heteroaryl]carbamoyl]indolines: novel and selective 5-HT2C receptor inverse agonists with potential as antidepressant/anxiolytic agents. Abstract: Bisaryl ethers have been identified with excellent 5-HT2C affinity and selectivity over both 5-HT2A and 5-HT2B receptors. Compounds such as 11, 27 and 38 have potent oral activity in a centrally mediated pharmacodynamic model of 5-HT2C function and their potential as novel non-sedating anxiolytic and antidepressants is unde... aid5783.table aid5783.tbin
5784 21 Title: 1-[2-[(Heteroarylmethoxy)aryl]carbamoyl]indolines are selective and orally active 5-HT2C receptor inverse agonists. Abstract: Bisarylmethoxyethers have been identified with nanomolar 5-HT2C affinity and selectivity over both 5-HT2A and 5-HT2B receptors. Compounds such as 1, 2, 8, 12, 14 and 18 have potent oral activity in a centrally mediated pharmacodynamic model of 5-HT2C function and their therapeutic potential is currently under further investigation. aid5784.table aid5784.tbin
5785 10 Title: Biarylcarbamoylindolines are novel and selective 5-HT(2C) receptor inverse agonists: identification of 5-methyl-1-[[2-[(2-methyl-3-pyridyl)oxy]- 5-pyridyl]carbamoyl]-6-trifluoromethylindoline (SB-243213) as a potential antidepressant/anxiolytic agent. Abstract: The evolution, synthesis, and biological activity of a novel series of 5-HT(2C) receptor inverse agonists are reported. Biarylcarbamoylindolines have been identified with excellent 5-HT(2C) affinity and selectivity over 5-HT(2A) re... aid5785.table aid5785.tbin
5786 1 Title: Biarylcarbamoylindolines are novel and selective 5-HT(2C) receptor inverse agonists: identification of 5-methyl-1-[[2-[(2-methyl-3-pyridyl)oxy]- 5-pyridyl]carbamoyl]-6-trifluoromethylindoline (SB-243213) as a potential antidepressant/anxiolytic agent. Abstract: The evolution, synthesis, and biological activity of a novel series of 5-HT(2C) receptor inverse agonists are reported. Biarylcarbamoylindolines have been identified with excellent 5-HT(2C) affinity and selectivity over 5-HT(2A) re... aid5786.table aid5786.tbin
5787 4 Title: Phenyl benzenesulfonamides are novel and selective 5-HT6 antagonists: identification of N-(2,5-dibromo-3-fluorophenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide (SB-357134). Abstract: Substituted N-phenyl-4-methoxy-3-piperazin-1-ylbenzenesulfonamides and conformationally restricted analogues have been identified as high affinity and selective 5-HT6 antagonists. Compounds from this series had a range of pharmacokinetic profiles in rat and in general there was a correlation between clear... aid5787.table aid5787.tbin
5788 23 Displacement of [3H]-5-5HT from human cloned 5-hydroxytryptamine 2B receptor expressed in CHO-K1 cells aid5788.table aid5788.tbin
5789 9 Title: 1,3-Biarylureas as selective non-peptide antagonists of the orexin-1 receptor. Abstract: This communication reports SARs for the first orexin-1 receptor antagonist series of 1-aryl-3-quinolin-4-yl and 1-aryl-3-naphthyridin-4-yl ureas. One of these compounds, 31 (SB-334867), has excellent selectivity for the orexin-1 receptor, blood-brain barrier permeability and shows in vivo activity following ip dosing. aid5789.table aid5789.tbin
5790 3 Title: 5-Chloro-N-(4-methoxy-3-piperazin-1-yl- phenyl)-3-methyl-2-benzothiophenesulfon- amide (SB-271046): a potent, selective, and orally bioavailable 5-HT6 receptor antagonist. aid5790.table aid5790.tbin
5791 1 Title: SB-656104-A: a novel 5-HT(7) receptor antagonist with improved in vivo properties. Abstract: A focused SAR study around the previously reported selective 5-HT(7) receptor antagonist, SB-269970-A has resulted in the identification of a structurally related analogue having an improved pharmacokinetic profile. Replacement of the phenolic group in SB-269970-A with an indole moiety, and replacement of the piperidinyl 4-methyl group with a heterocyclic ring system proved to be the key changes l... aid5791.table aid5791.tbin
5792 1 Title: (R)-3,N-dimethyl-N-[1-methyl-3-(4-methyl-piperidin-1-yl) propyl]benzenesulfonamide: the first selective 5-HT7 receptor antagonist. aid5792.table aid5792.tbin
5793 4 Title: Bicyclic piperazinylbenzenesulphonamides are potent and selective 5-HT6 receptor antagonists. Abstract: The synthesis of novel 3-(octahydropyrido[1,2-a]pyrazin-2-yl)- and 3-(hexahydropyrrolo[1,2-a]pyrazin-2-yl)phenyl-2-benzo[b]thiophene sulphonamide derivatives 3, (S)-4 and (R)-4 is described. The compounds show high affinity for the 5-HT6 receptor, excellent selectivity against a range of other receptors and good brain penetration. aid5793.table aid5793.tbin
5794 1 Title: Bicyclic piperazinylbenzenesulphonamides are potent and selective 5-HT6 receptor antagonists. Abstract: The synthesis of novel 3-(octahydropyrido[1,2-a]pyrazin-2-yl)- and 3-(hexahydropyrrolo[1,2-a]pyrazin-2-yl)phenyl-2-benzo[b]thiophene sulphonamide derivatives 3, (S)-4 and (R)-4 is described. The compounds show high affinity for the 5-HT6 receptor, excellent selectivity against a range of other receptors and good brain penetration. aid5794.table aid5794.tbin
5795 1 Title: A novel series of 2,5-substituted tryptamine derivatives as vascular 5HT1B/1D receptor antagonists. Abstract: The design, synthesis, and activity of a novel series of 2,5-substituted tryptamine derivatives at vascular 5HT1B-like receptors is described. Several important auxiliary binding sites of the 5HT1B-like receptor have been proposed following various modifications to the 2-substituent and especially to the methylene- or ethylene-linked 5-side chain. Careful design of new molecules b... aid5795.table aid5795.tbin
5796 79 Title: Potent, selective tetrahydro-beta-carboline antagonists of the serotonin 2B (5HT2B) contractile receptor in the rat stomach fundus. Abstract: A series of potent, selective 5HT2B receptor antagonists has been identified based upon yohimbine, with SAR studies resulting in a 1000-fold increase in 5HT2B receptor affinity relative to the starting structure (-log KBS &gt; 10.0 have been obtained). These high-affinity tetrahydro-beta-carboline antagonists are able to discriminate among the 5HT2 ... aid5796.table aid5796.tbin
5797 19 Title: Photoelectron spectra of psychotropic drugs. 6. Relationships between the physical properties and pharmacological actions of amphetamine analogues. Abstract: The valence ionization potentials of seven additional members of a series of 2,4,5-trisubstituted amphetamines (1-phenyl-2-aminopropanes) were measured by UV photoelectron spectroscopy. These and previously published data provide experimental measures of the gross electron-donor ability of the aromatic rings of 23 amphetamines. Analo... aid5797.table aid5797.tbin
5798 1 Title: Photoelectron spectra of psychotropic drugs. 6. Relationships between the physical properties and pharmacological actions of amphetamine analogues. Abstract: The valence ionization potentials of seven additional members of a series of 2,4,5-trisubstituted amphetamines (1-phenyl-2-aminopropanes) were measured by UV photoelectron spectroscopy. These and previously published data provide experimental measures of the gross electron-donor ability of the aromatic rings of 23 amphetamines. Analo... aid5798.table aid5798.tbin
5799 9 Title: Demethyl analogues of psychoactive methoxyphenalkylamines: synthesis and serotonin receptor affinities. Abstract: Mono-O-demethylation of several 2,5-dimethoxyphenalkylamines increases their affinity for the serotonin receptors of the isolated rat fundus preparation. In several instances, demethylation of methoxyphenalkylamines results in compounds which produce an antagonism which is not of a competitive nature. With respect to 1-(2,5-dimethoxy-4-methylphenyl)-2-aminopropane (DOM), demet... aid5799.table aid5799.tbin
5800 10 Title: Demethyl analogues of psychoactive methoxyphenalkylamines: synthesis and serotonin receptor affinities. Abstract: Mono-O-demethylation of several 2,5-dimethoxyphenalkylamines increases their affinity for the serotonin receptors of the isolated rat fundus preparation. In several instances, demethylation of methoxyphenalkylamines results in compounds which produce an antagonism which is not of a competitive nature. With respect to 1-(2,5-dimethoxy-4-methylphenyl)-2-aminopropane (DOM), demet... aid5800.table aid5800.tbin
5801 5 Title: N-(1-methyl-5-indolyl)-N'-(3-methyl-5-isothiazolyl)urea: a novel, high-affinity 5-HT2B receptor antagonist. aid5801.table aid5801.tbin
5802 12 Title: Synthesis, biological activity, and molecular modeling of selective 5-HT(2C/2B) receptor antagonists. Abstract: The synthesis and biological activity are reported for a series of analogues of the previously published indole urea 2 (SB-206553), designed to probe the 5-HT(2C) receptor binding site. Small molecule modeling studies have been used to define a region in space which is allowed at the 5-HT(2C) receptor but disallowed at the 5-HT(2A) receptor. In a complementary approach, docking ... aid5802.table aid5802.tbin
5803 8 Title: Conformationally constrained butyrophenones with affinity for dopamine (D(1), D(2), D(4)) and serotonin (5-HT(2A), 5-HT(2B), 5-HT(2C)) receptors: synthesis of aminomethylbenzo[b]furanones and their evaluation as antipsychotics. Abstract: A series of novel conformationally restricted butyrophenones (6-aminomethyl-4,5,6,7-tetrahydrobenzo[b]furan-4-ones bearing 4-(6-fluorobenzisoxazolyl)piperidine, 4-(p-fluorobenzoyl)piperidine, 4-(o-methoxyphenyl)piperazine, 4-(2-pyridyl)piperazine, 4-(2-py... aid5803.table aid5803.tbin
5804 1 Title: Conformationally constrained butyrophenones with affinity for dopamine (D(1), D(2), D(4)) and serotonin (5-HT(2A), 5-HT(2B), 5-HT(2C)) receptors: synthesis of aminomethylbenzo[b]furanones and their evaluation as antipsychotics. Abstract: A series of novel conformationally restricted butyrophenones (6-aminomethyl-4,5,6,7-tetrahydrobenzo[b]furan-4-ones bearing 4-(6-fluorobenzisoxazolyl)piperidine, 4-(p-fluorobenzoyl)piperidine, 4-(o-methoxyphenyl)piperazine, 4-(2-pyridyl)piperazine, 4-(2-py... aid5804.table aid5804.tbin
5805 1 Title: Conformationally constrained butyrophenones with affinity for dopamine (D(1), D(2), D(4)) and serotonin (5-HT(2A), 5-HT(2B), 5-HT(2C)) receptors: synthesis of aminomethylbenzo[b]furanones and their evaluation as antipsychotics. Abstract: A series of novel conformationally restricted butyrophenones (6-aminomethyl-4,5,6,7-tetrahydrobenzo[b]furan-4-ones bearing 4-(6-fluorobenzisoxazolyl)piperidine, 4-(p-fluorobenzoyl)piperidine, 4-(o-methoxyphenyl)piperazine, 4-(2-pyridyl)piperazine, 4-(2-py... aid5805.table aid5805.tbin
5806 2 Title: 5-Methyl-1-(3-pyridylcarbamoyl)-1,2,3,5-tetrahydropyrrolo[2,3-f]indole: a novel 5-HT2C/5-HT2B receptor antagonist with improved affinity, selectivity, and oral activity. Abstract: The preparation of a series of conformationally restricted analogues of indolylurea 1, namely tetrahydropyrroloindoles and tetrahydropyrroloquinolines, is described. The binding affinities of these compounds at 5-HT2A, 5-HT2B, and 5-HT2C receptors were determined. Of these compounds, the 1,2,3,5-tetrahydropyrrol... aid5806.table aid5806.tbin
5807 1 Title: 5-Methyl-1-(3-pyridylcarbamoyl)-1,2,3,5-tetrahydropyrrolo[2,3-f]indole: a novel 5-HT2C/5-HT2B receptor antagonist with improved affinity, selectivity, and oral activity. Abstract: The preparation of a series of conformationally restricted analogues of indolylurea 1, namely tetrahydropyrroloindoles and tetrahydropyrroloquinolines, is described. The binding affinities of these compounds at 5-HT2A, 5-HT2B, and 5-HT2C receptors were determined. Of these compounds, the 1,2,3,5-tetrahydropyrrol... aid5807.table aid5807.tbin
5808 1 Title: 5-Methyl-1-(3-pyridylcarbamoyl)-1,2,3,5-tetrahydropyrrolo[2,3-f]indole: a novel 5-HT2C/5-HT2B receptor antagonist with improved affinity, selectivity, and oral activity. Abstract: The preparation of a series of conformationally restricted analogues of indolylurea 1, namely tetrahydropyrroloindoles and tetrahydropyrroloquinolines, is described. The binding affinities of these compounds at 5-HT2A, 5-HT2B, and 5-HT2C receptors were determined. Of these compounds, the 1,2,3,5-tetrahydropyrrol... aid5808.table aid5808.tbin
5809 1 Title: 5-Methyl-1-(3-pyridylcarbamoyl)-1,2,3,5-tetrahydropyrrolo[2,3-f]indole: a novel 5-HT2C/5-HT2B receptor antagonist with improved affinity, selectivity, and oral activity. Abstract: The preparation of a series of conformationally restricted analogues of indolylurea 1, namely tetrahydropyrroloindoles and tetrahydropyrroloquinolines, is described. The binding affinities of these compounds at 5-HT2A, 5-HT2B, and 5-HT2C receptors were determined. Of these compounds, the 1,2,3,5-tetrahydropyrrol... aid5809.table aid5809.tbin
5810 3 Title: New serotonin 5-HT(2A), 5-HT(2B), and 5-HT(2C) receptor antagonists: synthesis, pharmacology, 3D-QSAR, and molecular modeling of (aminoalkyl)benzo and heterocycloalkanones. Abstract: A series of 52 conformationally constrained butyrophenones have been synthesized and pharmacologically tested as antagonists at 5-HT(2A), 5-HT(2B), and 5-HT(2C) serotonin receptors, useful for dissecting the role of each 5-HT(2) subtype in pathophysiology. These compounds were also a consistent set for the id... aid5810.table aid5810.tbin
5811 40 Title: New serotonin 5-HT(2A), 5-HT(2B), and 5-HT(2C) receptor antagonists: synthesis, pharmacology, 3D-QSAR, and molecular modeling of (aminoalkyl)benzo and heterocycloalkanones. Abstract: A series of 52 conformationally constrained butyrophenones have been synthesized and pharmacologically tested as antagonists at 5-HT(2A), 5-HT(2B), and 5-HT(2C) serotonin receptors, useful for dissecting the role of each 5-HT(2) subtype in pathophysiology. These compounds were also a consistent set for the id... aid5811.table aid5811.tbin
5812 1 Title: New serotonin 5-HT(2A), 5-HT(2B), and 5-HT(2C) receptor antagonists: synthesis, pharmacology, 3D-QSAR, and molecular modeling of (aminoalkyl)benzo and heterocycloalkanones. Abstract: A series of 52 conformationally constrained butyrophenones have been synthesized and pharmacologically tested as antagonists at 5-HT(2A), 5-HT(2B), and 5-HT(2C) serotonin receptors, useful for dissecting the role of each 5-HT(2) subtype in pathophysiology. These compounds were also a consistent set for the id... aid5812.table aid5812.tbin
5813 1 Title: New serotonin 5-HT(2A), 5-HT(2B), and 5-HT(2C) receptor antagonists: synthesis, pharmacology, 3D-QSAR, and molecular modeling of (aminoalkyl)benzo and heterocycloalkanones. Abstract: A series of 52 conformationally constrained butyrophenones have been synthesized and pharmacologically tested as antagonists at 5-HT(2A), 5-HT(2B), and 5-HT(2C) serotonin receptors, useful for dissecting the role of each 5-HT(2) subtype in pathophysiology. These compounds were also a consistent set for the id... aid5813.table aid5813.tbin
5814 9 Title: New serotonin 5-HT(2A), 5-HT(2B), and 5-HT(2C) receptor antagonists: synthesis, pharmacology, 3D-QSAR, and molecular modeling of (aminoalkyl)benzo and heterocycloalkanones. Abstract: A series of 52 conformationally constrained butyrophenones have been synthesized and pharmacologically tested as antagonists at 5-HT(2A), 5-HT(2B), and 5-HT(2C) serotonin receptors, useful for dissecting the role of each 5-HT(2) subtype in pathophysiology. These compounds were also a consistent set for the id... aid5814.table aid5814.tbin
5815 1 Title: New serotonin 5-HT(2A), 5-HT(2B), and 5-HT(2C) receptor antagonists: synthesis, pharmacology, 3D-QSAR, and molecular modeling of (aminoalkyl)benzo and heterocycloalkanones. Abstract: A series of 52 conformationally constrained butyrophenones have been synthesized and pharmacologically tested as antagonists at 5-HT(2A), 5-HT(2B), and 5-HT(2C) serotonin receptors, useful for dissecting the role of each 5-HT(2) subtype in pathophysiology. These compounds were also a consistent set for the id... aid5815.table aid5815.tbin
5816 1 Title: 2,3-dihydro and carbocyclic analogues of tryptamines: interaction with serotonin receptors. Abstract: Several dihydro and carbocyclic analogues of tryptamine were evaluated in order to determine the role of the heterocyclic portion of the indole nucleus on the interaction of indolealkylamines with the serotonin receptors of the rat fundus. Reduction of the C2--C3 double bond or replacement of the indole nitrogen with an sp3-hybridized carbon atom results in a 50% decrease in receptor affi... aid5816.table aid5816.tbin
5817 14 Title: 2,3-dihydro and carbocyclic analogues of tryptamines: interaction with serotonin receptors. Abstract: Several dihydro and carbocyclic analogues of tryptamine were evaluated in order to determine the role of the heterocyclic portion of the indole nucleus on the interaction of indolealkylamines with the serotonin receptors of the rat fundus. Reduction of the C2--C3 double bond or replacement of the indole nitrogen with an sp3-hybridized carbon atom results in a 50% decrease in receptor affi... aid5817.table aid5817.tbin
5818 1 Title: 2,3-dihydro and carbocyclic analogues of tryptamines: interaction with serotonin receptors. Abstract: Several dihydro and carbocyclic analogues of tryptamine were evaluated in order to determine the role of the heterocyclic portion of the indole nucleus on the interaction of indolealkylamines with the serotonin receptors of the rat fundus. Reduction of the C2--C3 double bond or replacement of the indole nitrogen with an sp3-hybridized carbon atom results in a 50% decrease in receptor affi... aid5818.table aid5818.tbin
5819 1 Title: 2,3-dihydro and carbocyclic analogues of tryptamines: interaction with serotonin receptors. Abstract: Several dihydro and carbocyclic analogues of tryptamine were evaluated in order to determine the role of the heterocyclic portion of the indole nucleus on the interaction of indolealkylamines with the serotonin receptors of the rat fundus. Reduction of the C2--C3 double bond or replacement of the indole nitrogen with an sp3-hybridized carbon atom results in a 50% decrease in receptor affi... aid5819.table aid5819.tbin
5821 1 Title: New serotonin 5-HT(2A), 5-HT(2B), and 5-HT(2C) receptor antagonists: synthesis, pharmacology, 3D-QSAR, and molecular modeling of (aminoalkyl)benzo and heterocycloalkanones. Abstract: A series of 52 conformationally constrained butyrophenones have been synthesized and pharmacologically tested as antagonists at 5-HT(2A), 5-HT(2B), and 5-HT(2C) serotonin receptors, useful for dissecting the role of each 5-HT(2) subtype in pathophysiology. These compounds were also a consistent set for the id... aid5821.table aid5821.tbin
5822 1 Title: Cycloalkyl[b][1,4]benzodiazepinoindoles are agonists at the human 5-HT2C receptor. Abstract: Evaluation of selected compounds from our Corporate Compound Library in a human 5-HT(2C) receptor binding assay led to the discovery of WAY-629, a cyclohexyl[b][1,4]benzodiazepinoindole (K(i) 56 nM, E(max) 90%), which is selective for the 5-HT(2C) receptor versus other serotonin receptor subtypes, and dopamine, histamine, adrenergic, and muscarinic receptors. In addition, WAY-629 was active in viv... aid5822.table aid5822.tbin
5823 3 Title: Conformationally restricted indolopiperidine derivatives as potent CCR2B receptor antagonists. Abstract: The preparation and biological evaluation of a series of indolopiperidine CCR2B receptor antagonists possessing a conformationally restricted C-5 linker chain in combination with a restricted piperidine ring are described. Compared to the parent compound 1, analogue 8 shows a dramatic improvement in selectivity against a range of 5-HT and dopaminergic receptors. aid5823.table aid5823.tbin
5824 2 Title: Conformationally restricted indolopiperidine derivatives as potent CCR2B receptor antagonists. Abstract: The preparation and biological evaluation of a series of indolopiperidine CCR2B receptor antagonists possessing a conformationally restricted C-5 linker chain in combination with a restricted piperidine ring are described. Compared to the parent compound 1, analogue 8 shows a dramatic improvement in selectivity against a range of 5-HT and dopaminergic receptors. aid5824.table aid5824.tbin
5825 1 Title: Design and synthesis of novel 2,3-dihydro-1H-isoindoles with high affinity and selectivity for the dopamine D3 receptor. Abstract: Starting from the tetrahydroisoquinoline SB-277011 1, a novel series of 5-substituted-2,3-dihydro-1H-isoindoles has been designed. Subsequent optimisation resulted in identification of 19, which has high affinity for the dopamine D3 receptor (pKi 8.3) and &gt; or = 100-fold selectivity over other aminergic receptors. In rat studies 19 was brain penetrant with ... aid5825.table aid5825.tbin
5826 1 Title: New benzo[h][1,6]naphthyridine and azepino[3,2-c]quinoline derivatives as selective antagonists of 5-HT4 receptors: binding profile and pharmacological characterization. Abstract: A series of benzo[h][1,6]naphthyridine and azepino[3,2-c]quinoline derivatives were prepared and evaluated to determine the necessary requirements for high affinity on the 5-HT(4) receptors and high selectivity versus other receptors. The compounds were synthesized by substituting the chlorine atom of benzonapht... aid5826.table aid5826.tbin
5827 1 Title: Lysergamides of isomeric 2,4-dimethylazetidines map the binding orientation of the diethylamide moiety in the potent hallucinogenic agent N,N-diethyllysergamide (LSD). Abstract: Lysergic acid amides were prepared from (R,R)-(-)-, (S,S)-(+)-, and cis-2,4-dimethyl azetidine. The dimethylazetidine moiety is considered here to be a rigid analogue of diethylamine, and thus, the target compounds are all conformationally constrained analogues of the potent hallucinogenic agent, N,N-diethyllyserg... aid5827.table aid5827.tbin
5828 2 Title: Lysergamides of isomeric 2,4-dimethylazetidines map the binding orientation of the diethylamide moiety in the potent hallucinogenic agent N,N-diethyllysergamide (LSD). Abstract: Lysergic acid amides were prepared from (R,R)-(-)-, (S,S)-(+)-, and cis-2,4-dimethyl azetidine. The dimethylazetidine moiety is considered here to be a rigid analogue of diethylamine, and thus, the target compounds are all conformationally constrained analogues of the potent hallucinogenic agent, N,N-diethyllyserg... aid5828.table aid5828.tbin
5829 1 Title: Lysergamides of isomeric 2,4-dimethylazetidines map the binding orientation of the diethylamide moiety in the potent hallucinogenic agent N,N-diethyllysergamide (LSD). Abstract: Lysergic acid amides were prepared from (R,R)-(-)-, (S,S)-(+)-, and cis-2,4-dimethyl azetidine. The dimethylazetidine moiety is considered here to be a rigid analogue of diethylamine, and thus, the target compounds are all conformationally constrained analogues of the potent hallucinogenic agent, N,N-diethyllyserg... aid5829.table aid5829.tbin
5830 7 Title: Conformationally constrained butyrophenones with mixed dopaminergic (D(2)) and serotoninergic (5-HT(2A), 5-HT(2C)) affinities: synthesis, pharmacology, 3D-QSAR, and molecular modeling of (aminoalkyl)benzo- and -thienocycloalkanones as putative atypical antipsychotics. Abstract: A series of novel conformationally restricted butyrophenones (2-(aminoethyl)- and 3-(aminomethyl)thieno- or benzocycloalkanones bearing (6-fluorobenzisoxazolyl)piperidine, (p-fluorobenzoyl)piperidine, (o-methoxyphe... aid5830.table aid5830.tbin
5831 7 Title: Conformationally constrained butyrophenones with affinity for dopamine (D(1), D(2), D(4)) and serotonin (5-HT(2A), 5-HT(2B), 5-HT(2C)) receptors: synthesis of aminomethylbenzo[b]furanones and their evaluation as antipsychotics. Abstract: A series of novel conformationally restricted butyrophenones (6-aminomethyl-4,5,6,7-tetrahydrobenzo[b]furan-4-ones bearing 4-(6-fluorobenzisoxazolyl)piperidine, 4-(p-fluorobenzoyl)piperidine, 4-(o-methoxyphenyl)piperazine, 4-(2-pyridyl)piperazine, 4-(2-py... aid5831.table aid5831.tbin
5832 1 Title: Conformationally constrained butyrophenones with affinity for dopamine (D(1), D(2), D(4)) and serotonin (5-HT(2A), 5-HT(2B), 5-HT(2C)) receptors: synthesis of aminomethylbenzo[b]furanones and their evaluation as antipsychotics. Abstract: A series of novel conformationally restricted butyrophenones (6-aminomethyl-4,5,6,7-tetrahydrobenzo[b]furan-4-ones bearing 4-(6-fluorobenzisoxazolyl)piperidine, 4-(p-fluorobenzoyl)piperidine, 4-(o-methoxyphenyl)piperazine, 4-(2-pyridyl)piperazine, 4-(2-py... aid5832.table aid5832.tbin
5833 1 Title: Conformationally constrained butyrophenones with affinity for dopamine (D(1), D(2), D(4)) and serotonin (5-HT(2A), 5-HT(2B), 5-HT(2C)) receptors: synthesis of aminomethylbenzo[b]furanones and their evaluation as antipsychotics. Abstract: A series of novel conformationally restricted butyrophenones (6-aminomethyl-4,5,6,7-tetrahydrobenzo[b]furan-4-ones bearing 4-(6-fluorobenzisoxazolyl)piperidine, 4-(p-fluorobenzoyl)piperidine, 4-(o-methoxyphenyl)piperazine, 4-(2-pyridyl)piperazine, 4-(2-py... aid5833.table aid5833.tbin
5834 1 Title: Conformationally constrained butyrophenones with affinity for dopamine (D(1), D(2), D(4)) and serotonin (5-HT(2A), 5-HT(2B), 5-HT(2C)) receptors: synthesis of aminomethylbenzo[b]furanones and their evaluation as antipsychotics. Abstract: A series of novel conformationally restricted butyrophenones (6-aminomethyl-4,5,6,7-tetrahydrobenzo[b]furan-4-ones bearing 4-(6-fluorobenzisoxazolyl)piperidine, 4-(p-fluorobenzoyl)piperidine, 4-(o-methoxyphenyl)piperazine, 4-(2-pyridyl)piperazine, 4-(2-py... aid5834.table aid5834.tbin
5835 56 Title: New serotonin 5-HT(2A), 5-HT(2B), and 5-HT(2C) receptor antagonists: synthesis, pharmacology, 3D-QSAR, and molecular modeling of (aminoalkyl)benzo and heterocycloalkanones. Abstract: A series of 52 conformationally constrained butyrophenones have been synthesized and pharmacologically tested as antagonists at 5-HT(2A), 5-HT(2B), and 5-HT(2C) serotonin receptors, useful for dissecting the role of each 5-HT(2) subtype in pathophysiology. These compounds were also a consistent set for the id... aid5835.table aid5835.tbin
5836 10 Title: Conformationally constrained butyrophenones with mixed dopaminergic (D(2)) and serotoninergic (5-HT(2A), 5-HT(2C)) affinities: synthesis, pharmacology, 3D-QSAR, and molecular modeling of (aminoalkyl)benzo- and -thienocycloalkanones as putative atypical antipsychotics. Abstract: A series of novel conformationally restricted butyrophenones (2-(aminoethyl)- and 3-(aminomethyl)thieno- or benzocycloalkanones bearing (6-fluorobenzisoxazolyl)piperidine, (p-fluorobenzoyl)piperidine, (o-methoxyphe... aid5836.table aid5836.tbin
5837 1 Title: Conformationally constrained butyrophenones with affinity for dopamine (D(1), D(2), D(4)) and serotonin (5-HT(2A), 5-HT(2B), 5-HT(2C)) receptors: synthesis of aminomethylbenzo[b]furanones and their evaluation as antipsychotics. Abstract: A series of novel conformationally restricted butyrophenones (6-aminomethyl-4,5,6,7-tetrahydrobenzo[b]furan-4-ones bearing 4-(6-fluorobenzisoxazolyl)piperidine, 4-(p-fluorobenzoyl)piperidine, 4-(o-methoxyphenyl)piperazine, 4-(2-pyridyl)piperazine, 4-(2-py... aid5837.table aid5837.tbin
5838 1 Title: Discovery of 4-[3-(trans-3-dimethylaminocyclobutyl)-1H-indol-5-ylmethyl]-(4S)-oxazolidin-2-one (4991W93), a 5HT(1B/1D) receptor partial agonist and a potent inhibitor of electrically induced plasma extravasation. Abstract: Utilizing a pharmacophoric model of binding of 3-(2-aminoethyl)indoles to 5HT(1B/1D) receptors, we identified the 3-aminocyclobutyl group as a potential ethylamine isostere. A novel multidimensional chemometric approach was used to predict the intrinsic activity (degree... aid5838.table aid5838.tbin
5839 1 Title: New tetrahydrobenzindoles as potent and selective 5-HT(7) antagonists with increased In vitro metabolic stability. Abstract: Chemical modifications of compound 1 (DR4004), a potent, selective antagonist of the 5-HT(7) receptor, were conducted with the aim of improving its metabolic stability. Halogenation of putative sites of oxidative metabolism afforded compounds 7-10, which retained high affinity and selectivity for the 5-HT(7) receptor, and showed increased in vitro metabolic stabilit... aid5839.table aid5839.tbin
5840 3 Title: 2-(Dimethylaminomethyl)-tetrahydroisoxazolopyridobenzazepine derivatives. Synthesis of a new 5-HT(2C) antagonist with potential anxiolytic properties. Abstract: Following the program started at Johnson &amp; Johnson Pharmaceutical Research &amp; Development searching for 5-HT(2A/2C) antagonists, we now report on the synthesis of 2-(dimethylaminomethyl)-2,3,3a,8-tetrahydroisoxazolo[3,2-a]pyrido[3,4-c]-[2]benzazepine and 2-(dimethylaminomethyl)-2,3,3a,8-tetrahydroisoxazolo[3,2-a]pyrido[3,2-... aid5840.table aid5840.tbin
5841 11 Title: Synthesis and 5-hydroxytryptamine (5-HT) activity of 2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-(6H)ones and 2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoxalines. Abstract: A series of 2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-(6H)ones and 2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoxalines was shown to exhibit 5-HT2C agonist binding and functional activity. Compound 21R inhibited food intake over 2 h in fasted, male Sprague Dawley rats with ED50 values of 2 mg/kg (i.p... aid5841.table aid5841.tbin
5842 14 Title: Indoline derivatives as 5-HT(2C) receptor agonists. Abstract: A series of 1-(1-indolinyl)-2-propylamines was synthesised and evaluated as 5-HT(2C) receptor agonists for the treatment of obesity. The general methods of synthesis of the precursor indoles are described. The functional efficacy and radioligand binding data for all of the compounds at 5-HT(2) receptor subtypes are reported. A number of compounds were found to reduce food intake in rats after oral administration. aid5842.table aid5842.tbin
5843 6 Title: Pyrrolo[3,2,1-ij]quinoline derivatives, a 5-HT2c receptor agonist with selectivity over the 5-HT2a receptor: potential therapeutic applications for epilepsy and obesity. Abstract: A series of pyrrolo[3,2,1-ij]quinoline derivatives was synthesized, evaluated for their activity against the 5-HT2c and 5-HT2a, receptors and found to be agonists at 5-HT2c with selectivity over 5-HT2a. aid5843.table aid5843.tbin
5844 2 Title: Cycloalkyl[b][1,4]benzodiazepinoindoles are agonists at the human 5-HT2C receptor. Abstract: Evaluation of selected compounds from our Corporate Compound Library in a human 5-HT(2C) receptor binding assay led to the discovery of WAY-629, a cyclohexyl[b][1,4]benzodiazepinoindole (K(i) 56 nM, E(max) 90%), which is selective for the 5-HT(2C) receptor versus other serotonin receptor subtypes, and dopamine, histamine, adrenergic, and muscarinic receptors. In addition, WAY-629 was active in viv... aid5844.table aid5844.tbin
5845 2 Title: Cycloalkyl[b][1,4]benzodiazepinoindoles are agonists at the human 5-HT2C receptor. Abstract: Evaluation of selected compounds from our Corporate Compound Library in a human 5-HT(2C) receptor binding assay led to the discovery of WAY-629, a cyclohexyl[b][1,4]benzodiazepinoindole (K(i) 56 nM, E(max) 90%), which is selective for the 5-HT(2C) receptor versus other serotonin receptor subtypes, and dopamine, histamine, adrenergic, and muscarinic receptors. In addition, WAY-629 was active in viv... aid5845.table aid5845.tbin
5846 7 Title: From hit to lead. Analyzing structure-profile relationships. Abstract: Two compounds, obtained by random screening, and displaying micromolar activities on the mu opiate receptor were used as starting points for optimization. In that work, the traditional concept of the activity of a compound (related to one or a few targets) was extended to the comprehensive pharmacological profile of that compound on more than 70 receptors, transporters, and channels relevant to a CNS-oriented project. ... aid5846.table aid5846.tbin
5847 1 Title: 6-Bicyclopiperazinyl-1-arylsulfonylindoles and 6-bicyclopiperidinyl-1-arylsulfonylindoles derivatives as novel, potent, and selective 5-HT6 receptor antagonists. Abstract: A novel series of 6-bicyclopiperazinyl-1-arylsulfonylindoles and 6-bicyclopiperidinyl-1-arylsulfonylindoles derivatives was synthesized and found to be potent and selective 5-HT6 receptor antagonists. aid5847.table aid5847.tbin
5848 1 Title: Synthesis and 5-hydroxytryptamine (5-HT) activity of 2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-(6H)ones and 2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoxalines. Abstract: A series of 2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-(6H)ones and 2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoxalines was shown to exhibit 5-HT2C agonist binding and functional activity. Compound 21R inhibited food intake over 2 h in fasted, male Sprague Dawley rats with ED50 values of 2 mg/kg (i.p... aid5848.table aid5848.tbin
5849 6 Title: 2,3,4,5-tetrahydro- and 2,3,4,5,11,11a-hexahydro-1H-[1,4]diazepino[1,7-a]indoles: new templates for 5-HT(2C) agonists. Abstract: The design and synthesis of the novel 2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole 5 is described. This azepinoindole has excellent affinity for 5-HT(2C) (K(i) 4.8 nM) and modest selectivity over 5-HT(2A) ( approximately 4-fold). Several N- and C(11)-substituted analogues of 5 were prepared, as were a number of biaryl indoline derivatives. The anxiolytic po... aid5849.table aid5849.tbin
5850 1 Title: 2,3,4,5-tetrahydro- and 2,3,4,5,11,11a-hexahydro-1H-[1,4]diazepino[1,7-a]indoles: new templates for 5-HT(2C) agonists. Abstract: The design and synthesis of the novel 2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole 5 is described. This azepinoindole has excellent affinity for 5-HT(2C) (K(i) 4.8 nM) and modest selectivity over 5-HT(2A) ( approximately 4-fold). Several N- and C(11)-substituted analogues of 5 were prepared, as were a number of biaryl indoline derivatives. The anxiolytic po... aid5850.table aid5850.tbin
5851 1 Title: 2,3,4,5-tetrahydro- and 2,3,4,5,11,11a-hexahydro-1H-[1,4]diazepino[1,7-a]indoles: new templates for 5-HT(2C) agonists. Abstract: The design and synthesis of the novel 2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole 5 is described. This azepinoindole has excellent affinity for 5-HT(2C) (K(i) 4.8 nM) and modest selectivity over 5-HT(2A) ( approximately 4-fold). Several N- and C(11)-substituted analogues of 5 were prepared, as were a number of biaryl indoline derivatives. The anxiolytic po... aid5851.table aid5851.tbin
5852 20 Title: 2-Aryl tryptamines: selective high-affinity antagonists for the h5-HT2A receptor. Abstract: A series of 2-aryl tryptamines have been identified as high-affinity h5-HT2A antagonists. Structure-activity relationship studies have shown that h5-HT2A affinity can be attained via modifications to the tryptamine side chain and that selectivity over h5-HT2C and hD2 receptors can be controlled by suitable C-2 aryl groups. aid5852.table aid5852.tbin
5853 22 Title: Synthesis and structure-activity relationship of 2-(aminoalkyl)-3,3a,8,12b-tetrahydro-2H-dibenzocyclohepta[1,2-b]furan derivatives: a novel series of 5-HT(2A/2C) receptor antagonists. Abstract: Following the program started at Johnson &amp; Johnson Pharmaceutical Research &amp; Development searching for 5-HT(2A/2C) antagonists we now report on the synthesis of a series of substituted 2-(aminomethyl)-3,3a,8,12b-tetrahydro-2H-dibenzocyclohepta[1,2-b]furan derivatives. The 5-HT2A, 5-HT2C and... aid5853.table aid5853.tbin
5854 21 Title: 3-(4-Fluoropiperidin-3-yl)-2-phenylindoles as high affinity, selective, and orally bioavailable h5-HT(2A) receptor antagonists. Abstract: The development of very high affinity, selective, and bioavailable h5-HT(2A) receptor antagonists is described. By investigation of the optimal position for the basic nitrogen in a series of 2-phenyl-3-piperidylindoles, it was found that with the basic nitrogen at the 3-position of the piperidine it was not necessary to further substitute the piperidine... aid5854.table aid5854.tbin
5855 8 Title: Synthesis and structure-affinity relationship investigations of 5-heteroaryl-substituted analogues of the antipsychotic sertindole. A new class of highly selective alpha(1) adrenoceptor antagonists. Abstract: A new class of 5-heteroaryl-substituted 1-(4-fluorophenyl)-3-(4-piperidinyl)-1H-indoles as highly selective and potentially CNS-active alpha 1-adrenoceptor antagonists is described. The compounds are derived from the antipsychotic sertindole. The structure-affinity relationships of t... aid5855.table aid5855.tbin
5856 1 Title: (+/-)8-Amino-5,6,7,8-tetrahydroisoquinolines as novel antinociceptive agents. Abstract: Several amine-substituted 8-amino-5,6,7,8-tetrahydroisoquinolines were examined as conformationally-constrained analogs of the nicotinic cholinergic (nACh) 3-(aminomethyl)pyridines. Although these ligands failed to bind at nACh receptors, the N-ethyl-N-methyl analog 3d was found to be at least equipotent with nicotine in rodent tests of antinociception. The mechanism of action of 3d is currently unknow... aid5856.table aid5856.tbin
5857 4 Title: Dihydrobenzofuran analogues of hallucinogens. 4. Mescaline derivatives. Abstract: Dihydrobenzofuran and tetrahydrobenzodifuran functionalities were employed as conformationally restricted bioisosteres of the aromatic methoxy groups in the prototypical hallucinogen, mescaline (1). Thus, 4-(2-aminoethyl)-6,7-dimethoxy-2,3-dihydrobenzofuran hydrochloride (8) and 1-(8-methoxy-2,3,5,6-tetrahydrobenzo[1,2-b:5,4-b']difuran-4-yl)-2- aminoethane hydrochloride (9) were prepared and evaluated along ... aid5857.table aid5857.tbin
5858 1 Title: Dihydrobenzofuran analogues of hallucinogens. 3. Models of 4-substituted (2,5-dimethoxyphenyl)alkylamine derivatives with rigidified methoxy groups. Abstract: Tetrahydrobenzodifuran functionalities were employed as conformationally restricted bioisosteres of the aromatic methoxy groups in prototypical hallucinogenic phenylalkylamines 1 and 2. Thus, a series of 8-substituted 1-(2,3,6,7-tetrahydrobenzo[1,2-b:4,5-b']difuran-4-yl)-2-aminoal kanes (7a-e) were prepared and evaluated for activit... aid5858.table aid5858.tbin
5859 11 Title: Cycloalkyl[b][1,4]benzodiazepinoindoles are agonists at the human 5-HT2C receptor. Abstract: Evaluation of selected compounds from our Corporate Compound Library in a human 5-HT(2C) receptor binding assay led to the discovery of WAY-629, a cyclohexyl[b][1,4]benzodiazepinoindole (K(i) 56 nM, E(max) 90%), which is selective for the 5-HT(2C) receptor versus other serotonin receptor subtypes, and dopamine, histamine, adrenergic, and muscarinic receptors. In addition, WAY-629 was active in viv... aid5859.table aid5859.tbin
5860 2 Title: Dihydrobenzofuran analogues of hallucinogens. 4. Mescaline derivatives. Abstract: Dihydrobenzofuran and tetrahydrobenzodifuran functionalities were employed as conformationally restricted bioisosteres of the aromatic methoxy groups in the prototypical hallucinogen, mescaline (1). Thus, 4-(2-aminoethyl)-6,7-dimethoxy-2,3-dihydrobenzofuran hydrochloride (8) and 1-(8-methoxy-2,3,5,6-tetrahydrobenzo[1,2-b:5,4-b']difuran-4-yl)-2- aminoethane hydrochloride (9) were prepared and evaluated along ... aid5860.table aid5860.tbin
5861 2 Title: Dihydrobenzofuran analogues of hallucinogens. 4. Mescaline derivatives. Abstract: Dihydrobenzofuran and tetrahydrobenzodifuran functionalities were employed as conformationally restricted bioisosteres of the aromatic methoxy groups in the prototypical hallucinogen, mescaline (1). Thus, 4-(2-aminoethyl)-6,7-dimethoxy-2,3-dihydrobenzofuran hydrochloride (8) and 1-(8-methoxy-2,3,5,6-tetrahydrobenzo[1,2-b:5,4-b']difuran-4-yl)-2- aminoethane hydrochloride (9) were prepared and evaluated along ... aid5861.table aid5861.tbin
5862 1 Title: Dihydrobenzofuran analogues of hallucinogens. 3. Models of 4-substituted (2,5-dimethoxyphenyl)alkylamine derivatives with rigidified methoxy groups. Abstract: Tetrahydrobenzodifuran functionalities were employed as conformationally restricted bioisosteres of the aromatic methoxy groups in prototypical hallucinogenic phenylalkylamines 1 and 2. Thus, a series of 8-substituted 1-(2,3,6,7-tetrahydrobenzo[1,2-b:4,5-b']difuran-4-yl)-2-aminoal kanes (7a-e) were prepared and evaluated for activit... aid5862.table aid5862.tbin
5863 3 Title: Substituted naphthofurans as hallucinogenic phenethylamine-ergoline hybrid molecules with unexpected muscarinic antagonist activity. Abstract: A series of substituted racemic naphthofurans were synthesized as &quot;hybrid&quot; molecules of the two major prototypical hallucinogenic drug classes, the phenethylamines and the tryptamines/ergolines. Although it was hypothesized that these new agents might possess high affinity for the serotonin 5-HT2A/2C receptor subtypes, unexpected affinity... aid5863.table aid5863.tbin
5864 2 Title: Substituted naphthofurans as hallucinogenic phenethylamine-ergoline hybrid molecules with unexpected muscarinic antagonist activity. Abstract: A series of substituted racemic naphthofurans were synthesized as &quot;hybrid&quot; molecules of the two major prototypical hallucinogenic drug classes, the phenethylamines and the tryptamines/ergolines. Although it was hypothesized that these new agents might possess high affinity for the serotonin 5-HT2A/2C receptor subtypes, unexpected affinity... aid5864.table aid5864.tbin
5865 1 Title: Substituted naphthofurans as hallucinogenic phenethylamine-ergoline hybrid molecules with unexpected muscarinic antagonist activity. Abstract: A series of substituted racemic naphthofurans were synthesized as &quot;hybrid&quot; molecules of the two major prototypical hallucinogenic drug classes, the phenethylamines and the tryptamines/ergolines. Although it was hypothesized that these new agents might possess high affinity for the serotonin 5-HT2A/2C receptor subtypes, unexpected affinity... aid5865.table aid5865.tbin
5866 3 Title: A novel (benzodifuranyl)aminoalkane with extremely potent activity at the 5-HT2A receptor. aid5866.table aid5866.tbin
5867 8 Title: Synthesis and serotonin receptor affinities of a series of trans-2-(indol-3-yl)cyclopropylamine derivatives. Abstract: A series of four racemic ring-substituted trans-2-(indol-3-yl)cyclopropylamine derivatives was synthesized and tested for affinity at the 5-HT1A receptor, by competition with [3H]-8-OH-DPAT in rat hippocampal homogenates, and for affinity at the agonist-labeled cloned human 5-HT2A, 5-HT2B, and 5-HT2C receptor subtypes. None of the compounds had high affinity for the 5-HT1... aid5867.table aid5867.tbin
5868 24 Title: 4-(Phenylsulfonyl)piperidines: novel, selective, and bioavailable 5-HT(2A) receptor antagonists. Abstract: On the basis of a spirocyclic ether screening lead, a series of acyclic sulfones have been identified as high-affinity, selective 5-HT(2A) receptor antagonists. Bioavailability lacking in the parent, 1-(2-(2,4-difluorophenyl)ethyl)-4-(phenylsulfonyl)piperidine (12), was introduced by using stability toward rat liver microsomes as a predictor of bioavailability. By this means, the 4-c... aid5868.table aid5868.tbin
5869 14 Title: Indoline derivatives as 5-HT(2C) receptor agonists. Abstract: A series of 1-(1-indolinyl)-2-propylamines was synthesised and evaluated as 5-HT(2C) receptor agonists for the treatment of obesity. The general methods of synthesis of the precursor indoles are described. The functional efficacy and radioligand binding data for all of the compounds at 5-HT(2) receptor subtypes are reported. A number of compounds were found to reduce food intake in rats after oral administration. aid5869.table aid5869.tbin
5870 32 Title: 2,3,4,5-tetrahydro- and 2,3,4,5,11,11a-hexahydro-1H-[1,4]diazepino[1,7-a]indoles: new templates for 5-HT(2C) agonists. Abstract: The design and synthesis of the novel 2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole 5 is described. This azepinoindole has excellent affinity for 5-HT(2C) (K(i) 4.8 nM) and modest selectivity over 5-HT(2A) ( approximately 4-fold). Several N- and C(11)-substituted analogues of 5 were prepared, as were a number of biaryl indoline derivatives. The anxiolytic po... aid5870.table aid5870.tbin
5871 11 Title: Synthesis of potent and selective dopamine D(4) antagonists as candidate radioligands. Abstract: A series of dopamine D(4) antagonists was synthesized and evaluated as potential candidates for development as positron emission tomography (PET) radioligands. All new compounds display high affinity and selectivity for the D(4) receptors and compounds 5b, 5d, and 5e were identified as candidates for radioligand development. aid5871.table aid5871.tbin
5872 1 Title: N-[3-(2-Dimethylaminoethyl)-2-methyl-1H- indol-5-yl]-4-fluorobenzamide: a potent, selective, and orally active 5-HT(1F) receptor agonist potentially useful for migraine therapy. Abstract: Recent studies have demonstrated that selective 5-HT(1F) receptor agonists inhibit neurogenic dural inflammation, a model of migraine headache, indicating that these compounds may be effective therapies for the treatment of migraine pain. This communication describes the synthesis and discovery of a nove... aid5872.table aid5872.tbin
5873 11 Title: Design and synthesis of new benzimidazole-arylpiperazine derivatives acting as mixed 5-HT1A/5-HT3 ligands. Abstract: A series of new benzimidazole-arylpiperazine derivatives III were designed, synthesized and evaluated for binding affinity at serotoninergic 5-HT(1A) and 5-HT(3) receptors. Compound IIIc was identified as a novel mixed 5-HT(1A)/5-HT(3) ligand with high affinity for both serotonin receptors and excellent selectivity over alpha(1)-adrenergic and dopamine D(2) receptors. This ... aid5873.table aid5873.tbin
5874 2 Title: Synthesis and pharmacology of isoquinuclidine derivatives as 5-HT(3) ligands. Abstract: A series of 4-amino-5-chloro-2-methoxybenzoates and benzamides containing the 5- and 6-isoquinuclidinyl system was synthesised and evaluated for binding to 5-HT(3), 5-HT(4) and D(2) receptors. In general, the isoquinuclidine derivatives at the 5-position have shown to be more potent as 5-HT(3) ligands but they also possess 5-HT(4) and D(2) properties. However, the results show that the derivatives at t... aid5874.table aid5874.tbin
5875 9 Binding affinity against 5-hydroxytryptamine 3 receptor using [3H]BRL-43694 in rat posterior cortex aid5875.table aid5875.tbin
5876 7 Binding affinity against 5-hydroxytryptamine 3 receptor using [3H]BRL-43694 as radioligand in rat posterior cortex aid5876.table aid5876.tbin
5877 1 Binding affinity against 5-hydroxytryptamine 3 receptor using [3H]BRL-43694 as radioligand in rat posterior cortex; Not tested aid5877.table aid5877.tbin
5878 3 Title: 5-(Nonyloxy)tryptamine: a novel high-affinity 5-HT1D beta serotonin receptor agonist. aid5878.table aid5878.tbin
5879 1 Title: New esters of 4-amino-5-chloro-2-methoxybenzoic acid as potent agonists and antagonists for 5-HT4 receptors. Abstract: A number of benzoates derived from 4-amino-5-chloro-2-methoxybenzoic acid and substituted 1-piperidineethanol were synthesized and found to be potent 5-HT4 receptor agonists in the electrically-stimulated myenteric plexus and longitudinal muscle of the guinea pig ileum and the rat esophagus muscle. Monosubstitution of the piperidine ring with Me, OH, NH-Ac, or CONH2 group... aid5879.table aid5879.tbin
5880 3 Title: New esters of 4-amino-5-chloro-2-methoxybenzoic acid as potent agonists and antagonists for 5-HT4 receptors. Abstract: A number of benzoates derived from 4-amino-5-chloro-2-methoxybenzoic acid and substituted 1-piperidineethanol were synthesized and found to be potent 5-HT4 receptor agonists in the electrically-stimulated myenteric plexus and longitudinal muscle of the guinea pig ileum and the rat esophagus muscle. Monosubstitution of the piperidine ring with Me, OH, NH-Ac, or CONH2 group... aid5880.table aid5880.tbin
5881 1 Title: 5-Hydroxytryptamine (5-HT3) receptor antagonists. 1. Indazole and indolizine-3-carboxylic acid derivatives. Abstract: Metoclopramide (1) is a gastric motility stimulant and a weak dopamine and 5-HT3 receptor antagonist. Conformational restriction of the (diethylamino)ethyl side chain of 1 in the form of the azabicyclic tropane gave 3, a very potent gastric motility stimulant and 5-HT3 receptor antagonist but devoid of significant dopamine receptor antagonist properties. Subsequent alterat... aid5881.table aid5881.tbin
5882 1 Title: 5-Hydroxytryptamine (5-HT3) receptor antagonists. 1. Indazole and indolizine-3-carboxylic acid derivatives. Abstract: Metoclopramide (1) is a gastric motility stimulant and a weak dopamine and 5-HT3 receptor antagonist. Conformational restriction of the (diethylamino)ethyl side chain of 1 in the form of the azabicyclic tropane gave 3, a very potent gastric motility stimulant and 5-HT3 receptor antagonist but devoid of significant dopamine receptor antagonist properties. Subsequent alterat... aid5882.table aid5882.tbin
5883 1 Title: 5-Hydroxytryptamine (5-HT3) receptor antagonists. 1. Indazole and indolizine-3-carboxylic acid derivatives. Abstract: Metoclopramide (1) is a gastric motility stimulant and a weak dopamine and 5-HT3 receptor antagonist. Conformational restriction of the (diethylamino)ethyl side chain of 1 in the form of the azabicyclic tropane gave 3, a very potent gastric motility stimulant and 5-HT3 receptor antagonist but devoid of significant dopamine receptor antagonist properties. Subsequent alterat... aid5883.table aid5883.tbin
5884 4 Title: Benzimidazole derivatives. 2. Synthesis and structure-activity relationships of new azabicyclic benzimidazole-4-carboxylic acid derivatives with affinity for serotoninergic 5-HT(3) receptors. Abstract: A new series of azabicyclic benzimidazole-4-carboxamides 2-21 and -carboxylates 22-30 were synthesized and evaluated for binding affinity at serotoninergic 5-HT(3) and 5-HT(4) receptors in the CNS. Most of the synthesized compounds exhibited high or very high affinity for the 5-HT(3) bindin... aid5884.table aid5884.tbin
5885 23 Title: Benzimidazole derivatives. 2. Synthesis and structure-activity relationships of new azabicyclic benzimidazole-4-carboxylic acid derivatives with affinity for serotoninergic 5-HT(3) receptors. Abstract: A new series of azabicyclic benzimidazole-4-carboxamides 2-21 and -carboxylates 22-30 were synthesized and evaluated for binding affinity at serotoninergic 5-HT(3) and 5-HT(4) receptors in the CNS. Most of the synthesized compounds exhibited high or very high affinity for the 5-HT(3) bindin... aid5885.table aid5885.tbin
5886 18 Title: Development of high-affinity 5-HT3 receptor antagonists. 1. Initial structure-activity relationship of novel benzamides. Abstract: This report describes the development of novel benzamides which are orally active, highly potent, specific antagonists of 5-HT3 receptors. Described in this first report are the structure-activity relationships that led to novel structures with improved potency and selectivity. From this series of compounds, (S)-28 was identified and selected for further evalu... aid5886.table aid5886.tbin
5887 1 Title: Development of high-affinity 5-HT3 receptor antagonists. Structure-affinity relationships of novel 1,7-annelated indole derivatives. Abstract: On the basis of the structures of ondansetron and GR 65,630, its ring-opened C-linked methylimidazole analogue, novel 1,7-annelated indole derivatives were synthesized as potential 5-HT3 antagonists. Receptor binding studies show that all compounds display a high affinity for the 5-HT3 receptors. In both series annelation results in compounds being... aid5887.table aid5887.tbin
5888 21 Binding affinity at 5-hydroxytryptamine 3 receptor in rat entorhinal cortex by [3H]BRL-43694 displacement. aid5888.table aid5888.tbin
5889 32 Title: 5-HT3 receptor antagonists. 1. New quinoline derivatives. Abstract: A series of esters and amides of 1-alkyl-2-oxo-1,2-dihydroquinoline-4- carboxylic acid or 2-alkoxy-quinoline-4-carboxylic acid containing a basic azabicycloalkyl moiety has been synthesized and evaluated for affinity for the [3H]quipazine-labeled 5-HT3 receptors. Most of the esters exhibited 10-fold more potent activity than that of ondansetron (1; Ki = 7.6 nM). Lipophilic substituents at the 1- or 2-position of the quino... aid5889.table aid5889.tbin
5890 4 Title: 5-HT3 receptor antagonists. 1. New quinoline derivatives. Abstract: A series of esters and amides of 1-alkyl-2-oxo-1,2-dihydroquinoline-4- carboxylic acid or 2-alkoxy-quinoline-4-carboxylic acid containing a basic azabicycloalkyl moiety has been synthesized and evaluated for affinity for the [3H]quipazine-labeled 5-HT3 receptors. Most of the esters exhibited 10-fold more potent activity than that of ondansetron (1; Ki = 7.6 nM). Lipophilic substituents at the 1- or 2-position of the quino... aid5890.table aid5890.tbin
5891 6 Title: 5-HT3 antagonists derived from aminopyridazine-type muscarinic M1 agonists. Abstract: A conformational analysis, performed on muscarinic M1 agonists, identified four structural features characteristic of the muscarinic M1 pharmacophore: (i) a protonable basic or quaternary nitrogen acting as a cationic head; (ii) an electronegative dipole usually part of a planar mesomeric ester, amide, or amidine function which can be replaced by an ether (muscarine) or a dioxolane (AF 30); (iii) an inte... aid5891.table aid5891.tbin
5892 12 Title: Synthesis and pharmacological evaluation of 6-piperidino- and 6-piperazinoalkyl-2(3H)-benzothiazolones as mixed sigma/5-HT(1A) ligands. Abstract: In an effort to produce new pharmacological probes with mixed sigma/5-HT(1A) affinity, we have synthesized a series of 12 original 6-piperidino- or piperazino-alkyl-2(3H)-benzothiazolones and their receptor binding profile (sigma, 5-HT(1A), 5-HT(2A), 5-HT(3), D(2), H(1), and M(1)) was determined. The best mixed sigma/5-HT(1A) affinity profile wa... aid5892.table aid5892.tbin
5893 27 Title: Novel potent and selective central 5-HT3 receptor ligands provided with different intrinsic efficacy. 1. Mapping the central 5-HT3 receptor binding site by arylpiperazine derivatives. Abstract: Synthesis and pharmacological evaluation of a series of condensed quinoline and pyridine derivatives bearing a N-methylpiperazine moiety attached to the 2-position of the quinoline or pyridine nucleus are described. 5-HT receptor binding studies revealed subnanomolar affinity for the 5-HT3 receptor... aid5893.table aid5893.tbin
5894 1 Compound was tested for its binding affinity for the 5-hydroxytryptamine 3 receptor aid5894.table aid5894.tbin
5895 6 Title: Novel antagonists of 5-HT3 receptors. Synthesis and biological evaluation of piperazinylquinoxaline derivatives. Abstract: A series of piperazinylquinoxalines has been synthesized and studied as 5-HT3 receptor antagonists in different preparations. Antagonism to 5-HT in the longitudinal muscle of the guinea pig ileum was particularly prominent in cyanoquinoxaline derivatives with an alkyl substitutuent on the piperazine moiety. The pA2 of some selected compounds against the 5-HT3 agonist ... aid5895.table aid5895.tbin
5896 41 Title: Phenylimidazolidin-2-one derivatives as selective 5-HT3 receptor antagonists and refinement of the pharmacophore model for 5-HT3 receptor binding. Abstract: A possible bioisosterism between the benzamido and the phenylimidazolidin-2-one moieties has been suggested on the basis of the similarity between the molecular electrostatic potential (MEP) of metoclopramide, a D2 receptor antagonist with weak 5-HT3 receptor antagonist properties, and zetidoline, a D2 receptor antagonist. Starting fr... aid5896.table aid5896.tbin
5897 21 Title: 4-(tetralin-1-yl)- and 4-(naphthalen-1-yl)alkyl derivatives of 1-cyclohexylpiperazine as sigma receptor ligands with agonist sigma2 activity. Abstract: Several 1-cyclohexylpiperazine derivatives related to sigma(2) receptor ligand 1-cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine (33, K(i) = 0.34 nM) were synthesized and tested in radioligand binding assays, to attempt a structure-affinity relationship study. Intermediate alkyl chain length and methoxyl grou... aid5897.table aid5897.tbin
5898 8 Title: Synthesis and biochemical evaluation of tritium-labeled 1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]oct-3-yl)-1H-indazole-3-carboxa mide, a useful radioligand for 5HT3 receptors. Abstract: The advent of potent, highly selective 5HT3 receptor antagonists has stimulated considerable interest in 5HT3 receptor mediated physiology and pharmacology. To permit detailed biochemical studies regarding interaction of the indazole class of serotonin (5HT) antagonists with 5HT3 receptors in multiple tissu... aid5898.table aid5898.tbin
5899 1 Title: Synthesis and biochemical evaluation of tritium-labeled 1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]oct-3-yl)-1H-indazole-3-carboxa mide, a useful radioligand for 5HT3 receptors. Abstract: The advent of potent, highly selective 5HT3 receptor antagonists has stimulated considerable interest in 5HT3 receptor mediated physiology and pharmacology. To permit detailed biochemical studies regarding interaction of the indazole class of serotonin (5HT) antagonists with 5HT3 receptors in multiple tissu... aid5899.table aid5899.tbin
5900 3 Title: 2,3-Dihydro-2-oxo-1H-benzimidazole-1-carboxamides with selective affinity for the 5-HT(4) receptor: synthesis and structure-affinity and structure-activity relationships of a new series of partial agonist and antagonist derivatives. Abstract: A series of 2,3-dihydro-2-oxo-1H-benzimidazole-1-carboxamide derivatives bearing a piperazine moiety was synthesized. Their in vitro 5-HT(4), 5-HT(3), and D(2) receptors affinities were evaluated by radioligand binding assay. For selected compounds f... aid5900.table aid5900.tbin
5901 18 Binding affinity at 5-hydroxytryptamine 3 receptor in rat entorhinal cortex by [3H]BRL-43694 displacement. aid5901.table aid5901.tbin
5902 12 Title: Development of high-affinity 5-HT3 receptor antagonists. Structure-affinity relationships of novel 1,7-annelated indole derivatives. Abstract: On the basis of the structures of ondansetron and GR 65,630, its ring-opened C-linked methylimidazole analogue, novel 1,7-annelated indole derivatives were synthesized as potential 5-HT3 antagonists. Receptor binding studies show that all compounds display a high affinity for the 5-HT3 receptors. In both series annelation results in compounds being... aid5902.table aid5902.tbin
5903 11 Title: SC-53116: the first selective agonist at the newly identified serotonin 5-HT4 receptor subtype. aid5903.table aid5903.tbin
5904 3 Title: SC-53116: the first selective agonist at the newly identified serotonin 5-HT4 receptor subtype. aid5904.table aid5904.tbin
5905 18 Binding affinity at 5-hydroxytryptamine 3 receptor in rat posterior cortex by [3H]-BRL 43694 displacement. aid5905.table aid5905.tbin
5906 4 Title: Synthesis and pharmacological testing of 1,2,3,4,10,14b-hexahydro-6-methoxy-2-methyldibenzo[c,f]pyrazino[1,2-a]azepin and its enantiomers in comparison with the two antidepressants mianserin and mirtazapine. Abstract: The synthesis and resolution of 1,2,3,4,10,14b-hexahydro-6-methoxy-2-methyldibenzo[c,f]pyrazino[1,2-a]azepin (6-methoxymianserin, 6) are described. Furthermore, the in vitro and in vivo effects of 6 and its enantiomers are presented. 6 displayed high affinity for the 5-HT2A/... aid5906.table aid5906.tbin
5907 1 Title: Synthesis and pharmacological testing of 1,2,3,4,10,14b-hexahydro-6-methoxy-2-methyldibenzo[c,f]pyrazino[1,2-a]azepin and its enantiomers in comparison with the two antidepressants mianserin and mirtazapine. Abstract: The synthesis and resolution of 1,2,3,4,10,14b-hexahydro-6-methoxy-2-methyldibenzo[c,f]pyrazino[1,2-a]azepin (6-methoxymianserin, 6) are described. Furthermore, the in vitro and in vivo effects of 6 and its enantiomers are presented. 6 displayed high affinity for the 5-HT2A/... aid5907.table aid5907.tbin
5908 2 Title: Development of high-affinity 5-HT3 receptor antagonists. Structure-affinity relationships of novel 1,7-annelated indole derivatives. Abstract: On the basis of the structures of ondansetron and GR 65,630, its ring-opened C-linked methylimidazole analogue, novel 1,7-annelated indole derivatives were synthesized as potential 5-HT3 antagonists. Receptor binding studies show that all compounds display a high affinity for the 5-HT3 receptors. In both series annelation results in compounds being... aid5908.table aid5908.tbin
5909 1 Title: Development of high-affinity 5-HT3 receptor antagonists. 2. Two novel tricyclic benzamides. Abstract: Two new classes of potent 5-HT3 agents have been developed and examined as inhibitors of cytotoxic drug induced emesis in the ferret and dog. The absolute configuration of the most active molecules 10 and 18 have been determined by X-ray crystallography. These two compounds are more potent than known 5-HT3 receptor antagonists both in vivo and in vitro in blocking 5-HT3 receptor activatio... aid5909.table aid5909.tbin
5910 19 Title: Development of high-affinity 5-HT3 receptor antagonists. 2. Two novel tricyclic benzamides. Abstract: Two new classes of potent 5-HT3 agents have been developed and examined as inhibitors of cytotoxic drug induced emesis in the ferret and dog. The absolute configuration of the most active molecules 10 and 18 have been determined by X-ray crystallography. These two compounds are more potent than known 5-HT3 receptor antagonists both in vivo and in vitro in blocking 5-HT3 receptor activatio... aid5910.table aid5910.tbin
5911 23 Title: Novel, potent, and selective 5-HT3 receptor antagonists based on the arylpiperazine skeleton: synthesis, structure, biological activity, and comparative molecular field analysis studies. Abstract: Synthesis and pharmacological evaluation of a series of condensed quinoline derivatives bearing a basic nitrogen on piperazine or [(dimethylamino)ethyl]thio moieties attached at the 2-position of the quinoline nucleus are described. 5-HT receptor binding studies revealed, for most of the compoun... aid5911.table aid5911.tbin
5912 1 Title: Novel, potent, and selective 5-HT3 receptor antagonists based on the arylpiperazine skeleton: synthesis, structure, biological activity, and comparative molecular field analysis studies. Abstract: Synthesis and pharmacological evaluation of a series of condensed quinoline derivatives bearing a basic nitrogen on piperazine or [(dimethylamino)ethyl]thio moieties attached at the 2-position of the quinoline nucleus are described. 5-HT receptor binding studies revealed, for most of the compoun... aid5912.table aid5912.tbin
5913 3 Title: Novel, potent, and selective 5-HT3 receptor antagonists based on the arylpiperazine skeleton: synthesis, structure, biological activity, and comparative molecular field analysis studies. Abstract: Synthesis and pharmacological evaluation of a series of condensed quinoline derivatives bearing a basic nitrogen on piperazine or [(dimethylamino)ethyl]thio moieties attached at the 2-position of the quinoline nucleus are described. 5-HT receptor binding studies revealed, for most of the compoun... aid5913.table aid5913.tbin
5914 1 Title: Synthesis and serotonergic activity of N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethylamine and analogues: potent agonists for 5-HT1D receptors. Abstract: The synthesis and the 5-HT receptor activity of a novel series of N,N-dimethyltryptamines substituted in the 5-position with an imidazole, triazole, or tetrazole ring are described. The objective of this work was to identify potent and selective 5-HT1D receptor agonists with high oral bioavailability and low central ner... aid5914.table aid5914.tbin
5915 1 Title: Zatosetron, a potent, selective, and long-acting 5HT3 receptor antagonist: synthesis and structure-activity relationships. Abstract: Antagonists of 5HT3 receptors are clinically effective in treating nausea and emesis associated with certain oncolytic drugs, including cisplatin. Moreover, these agents may be useful in pharmacological management of several central nervous system disorders, including anxiety, schizophrenia, dementia, and substance abuse. Our studies on aroyltropanamides led... aid5915.table aid5915.tbin
5916 2 Title: Zatosetron, a potent, selective, and long-acting 5HT3 receptor antagonist: synthesis and structure-activity relationships. Abstract: Antagonists of 5HT3 receptors are clinically effective in treating nausea and emesis associated with certain oncolytic drugs, including cisplatin. Moreover, these agents may be useful in pharmacological management of several central nervous system disorders, including anxiety, schizophrenia, dementia, and substance abuse. Our studies on aroyltropanamides led... aid5916.table aid5916.tbin
5917 2 Title: Zatosetron, a potent, selective, and long-acting 5HT3 receptor antagonist: synthesis and structure-activity relationships. Abstract: Antagonists of 5HT3 receptors are clinically effective in treating nausea and emesis associated with certain oncolytic drugs, including cisplatin. Moreover, these agents may be useful in pharmacological management of several central nervous system disorders, including anxiety, schizophrenia, dementia, and substance abuse. Our studies on aroyltropanamides led... aid5917.table aid5917.tbin
5918 2 Title: Zatosetron, a potent, selective, and long-acting 5HT3 receptor antagonist: synthesis and structure-activity relationships. Abstract: Antagonists of 5HT3 receptors are clinically effective in treating nausea and emesis associated with certain oncolytic drugs, including cisplatin. Moreover, these agents may be useful in pharmacological management of several central nervous system disorders, including anxiety, schizophrenia, dementia, and substance abuse. Our studies on aroyltropanamides led... aid5918.table aid5918.tbin
5919 1 Title: Zatosetron, a potent, selective, and long-acting 5HT3 receptor antagonist: synthesis and structure-activity relationships. Abstract: Antagonists of 5HT3 receptors are clinically effective in treating nausea and emesis associated with certain oncolytic drugs, including cisplatin. Moreover, these agents may be useful in pharmacological management of several central nervous system disorders, including anxiety, schizophrenia, dementia, and substance abuse. Our studies on aroyltropanamides led... aid5919.table aid5919.tbin
5920 1 Title: Zatosetron, a potent, selective, and long-acting 5HT3 receptor antagonist: synthesis and structure-activity relationships. Abstract: Antagonists of 5HT3 receptors are clinically effective in treating nausea and emesis associated with certain oncolytic drugs, including cisplatin. Moreover, these agents may be useful in pharmacological management of several central nervous system disorders, including anxiety, schizophrenia, dementia, and substance abuse. Our studies on aroyltropanamides led... aid5920.table aid5920.tbin
5921 1 Title: Zatosetron, a potent, selective, and long-acting 5HT3 receptor antagonist: synthesis and structure-activity relationships. Abstract: Antagonists of 5HT3 receptors are clinically effective in treating nausea and emesis associated with certain oncolytic drugs, including cisplatin. Moreover, these agents may be useful in pharmacological management of several central nervous system disorders, including anxiety, schizophrenia, dementia, and substance abuse. Our studies on aroyltropanamides led... aid5921.table aid5921.tbin
5922 1 Title: Zatosetron, a potent, selective, and long-acting 5HT3 receptor antagonist: synthesis and structure-activity relationships. Abstract: Antagonists of 5HT3 receptors are clinically effective in treating nausea and emesis associated with certain oncolytic drugs, including cisplatin. Moreover, these agents may be useful in pharmacological management of several central nervous system disorders, including anxiety, schizophrenia, dementia, and substance abuse. Our studies on aroyltropanamides led... aid5922.table aid5922.tbin
5923 1 Title: Zatosetron, a potent, selective, and long-acting 5HT3 receptor antagonist: synthesis and structure-activity relationships. Abstract: Antagonists of 5HT3 receptors are clinically effective in treating nausea and emesis associated with certain oncolytic drugs, including cisplatin. Moreover, these agents may be useful in pharmacological management of several central nervous system disorders, including anxiety, schizophrenia, dementia, and substance abuse. Our studies on aroyltropanamides led... aid5923.table aid5923.tbin
5924 3 Title: Zatosetron, a potent, selective, and long-acting 5HT3 receptor antagonist: synthesis and structure-activity relationships. Abstract: Antagonists of 5HT3 receptors are clinically effective in treating nausea and emesis associated with certain oncolytic drugs, including cisplatin. Moreover, these agents may be useful in pharmacological management of several central nervous system disorders, including anxiety, schizophrenia, dementia, and substance abuse. Our studies on aroyltropanamides led... aid5924.table aid5924.tbin
5925 3 Title: Zatosetron, a potent, selective, and long-acting 5HT3 receptor antagonist: synthesis and structure-activity relationships. Abstract: Antagonists of 5HT3 receptors are clinically effective in treating nausea and emesis associated with certain oncolytic drugs, including cisplatin. Moreover, these agents may be useful in pharmacological management of several central nervous system disorders, including anxiety, schizophrenia, dementia, and substance abuse. Our studies on aroyltropanamides led... aid5925.table aid5925.tbin
5926 3 Title: Zatosetron, a potent, selective, and long-acting 5HT3 receptor antagonist: synthesis and structure-activity relationships. Abstract: Antagonists of 5HT3 receptors are clinically effective in treating nausea and emesis associated with certain oncolytic drugs, including cisplatin. Moreover, these agents may be useful in pharmacological management of several central nervous system disorders, including anxiety, schizophrenia, dementia, and substance abuse. Our studies on aroyltropanamides led... aid5926.table aid5926.tbin
5927 3 Title: Zatosetron, a potent, selective, and long-acting 5HT3 receptor antagonist: synthesis and structure-activity relationships. Abstract: Antagonists of 5HT3 receptors are clinically effective in treating nausea and emesis associated with certain oncolytic drugs, including cisplatin. Moreover, these agents may be useful in pharmacological management of several central nervous system disorders, including anxiety, schizophrenia, dementia, and substance abuse. Our studies on aroyltropanamides led... aid5927.table aid5927.tbin
5928 1 Title: Zatosetron, a potent, selective, and long-acting 5HT3 receptor antagonist: synthesis and structure-activity relationships. Abstract: Antagonists of 5HT3 receptors are clinically effective in treating nausea and emesis associated with certain oncolytic drugs, including cisplatin. Moreover, these agents may be useful in pharmacological management of several central nervous system disorders, including anxiety, schizophrenia, dementia, and substance abuse. Our studies on aroyltropanamides led... aid5928.table aid5928.tbin
5929 1 Title: Zatosetron, a potent, selective, and long-acting 5HT3 receptor antagonist: synthesis and structure-activity relationships. Abstract: Antagonists of 5HT3 receptors are clinically effective in treating nausea and emesis associated with certain oncolytic drugs, including cisplatin. Moreover, these agents may be useful in pharmacological management of several central nervous system disorders, including anxiety, schizophrenia, dementia, and substance abuse. Our studies on aroyltropanamides led... aid5929.table aid5929.tbin
5930 1 Title: Zatosetron, a potent, selective, and long-acting 5HT3 receptor antagonist: synthesis and structure-activity relationships. Abstract: Antagonists of 5HT3 receptors are clinically effective in treating nausea and emesis associated with certain oncolytic drugs, including cisplatin. Moreover, these agents may be useful in pharmacological management of several central nervous system disorders, including anxiety, schizophrenia, dementia, and substance abuse. Our studies on aroyltropanamides led... aid5930.table aid5930.tbin
5931 1 Title: Zatosetron, a potent, selective, and long-acting 5HT3 receptor antagonist: synthesis and structure-activity relationships. Abstract: Antagonists of 5HT3 receptors are clinically effective in treating nausea and emesis associated with certain oncolytic drugs, including cisplatin. Moreover, these agents may be useful in pharmacological management of several central nervous system disorders, including anxiety, schizophrenia, dementia, and substance abuse. Our studies on aroyltropanamides led... aid5931.table aid5931.tbin
5932 1 Title: Zatosetron, a potent, selective, and long-acting 5HT3 receptor antagonist: synthesis and structure-activity relationships. Abstract: Antagonists of 5HT3 receptors are clinically effective in treating nausea and emesis associated with certain oncolytic drugs, including cisplatin. Moreover, these agents may be useful in pharmacological management of several central nervous system disorders, including anxiety, schizophrenia, dementia, and substance abuse. Our studies on aroyltropanamides led... aid5932.table aid5932.tbin
5933 1 Title: 5-Hydroxytryptamine (5-HT3) receptor antagonists. 1. Indazole and indolizine-3-carboxylic acid derivatives. Abstract: Metoclopramide (1) is a gastric motility stimulant and a weak dopamine and 5-HT3 receptor antagonist. Conformational restriction of the (diethylamino)ethyl side chain of 1 in the form of the azabicyclic tropane gave 3, a very potent gastric motility stimulant and 5-HT3 receptor antagonist but devoid of significant dopamine receptor antagonist properties. Subsequent alterat... aid5933.table aid5933.tbin
5934 2 Title: Synthesis and serotonergic activity of N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethylamine and analogues: potent agonists for 5-HT1D receptors. Abstract: The synthesis and the 5-HT receptor activity of a novel series of N,N-dimethyltryptamines substituted in the 5-position with an imidazole, triazole, or tetrazole ring are described. The objective of this work was to identify potent and selective 5-HT1D receptor agonists with high oral bioavailability and low central ner... aid5934.table aid5934.tbin
5935 12 Title: Synthesis and serotonergic activity of N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethylamine and analogues: potent agonists for 5-HT1D receptors. Abstract: The synthesis and the 5-HT receptor activity of a novel series of N,N-dimethyltryptamines substituted in the 5-position with an imidazole, triazole, or tetrazole ring are described. The objective of this work was to identify potent and selective 5-HT1D receptor agonists with high oral bioavailability and low central ner... aid5935.table aid5935.tbin
5936 1 Title: Synthesis and serotonergic activity of N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethylamine and analogues: potent agonists for 5-HT1D receptors. Abstract: The synthesis and the 5-HT receptor activity of a novel series of N,N-dimethyltryptamines substituted in the 5-position with an imidazole, triazole, or tetrazole ring are described. The objective of this work was to identify potent and selective 5-HT1D receptor agonists with high oral bioavailability and low central ner... aid5936.table aid5936.tbin
5937 2 Title: Novel 5-HT3 antagonists. Indole oxadiazoles. Abstract: The synthesis and biochemical evaluation of a series of indole oxadiazole 5-HT3 antagonists are described. The key pharmacophoric elements have been defined as a basic nitrogen, a linking group capable of H-bonding interactions, and an aromatic moiety. The steric limitations of the aromatic binding site have been determined by substitution about the indole ring. Variation of the heterocyclic linking group has shown that while two hydr... aid5937.table aid5937.tbin
5938 46 Title: Novel 5-HT3 antagonists. Indole oxadiazoles. Abstract: The synthesis and biochemical evaluation of a series of indole oxadiazole 5-HT3 antagonists are described. The key pharmacophoric elements have been defined as a basic nitrogen, a linking group capable of H-bonding interactions, and an aromatic moiety. The steric limitations of the aromatic binding site have been determined by substitution about the indole ring. Variation of the heterocyclic linking group has shown that while two hydr... aid5938.table aid5938.tbin
5939 1 Title: Synthesis and evaluation of 5-HT(2A) and 5-HT(2C) receptor binding affinities of novel pyrimidine derivatives. Abstract: In an effort to find potential anxiolytic and/or antipsychotic agents with selective 5-HT(2C) affinity a series of new pyrimidine derivatives was prepared and the binding affinities for 5-HT(2A) and 5-HT(2C) receptors were determined. aid5939.table aid5939.tbin
5940 3 Title: Synthesis and evaluation of 5-HT(2A) and 5-HT(2C) receptor binding affinities of novel pyrimidine derivatives. Abstract: In an effort to find potential anxiolytic and/or antipsychotic agents with selective 5-HT(2C) affinity a series of new pyrimidine derivatives was prepared and the binding affinities for 5-HT(2A) and 5-HT(2C) receptors were determined. aid5940.table aid5940.tbin
5941 1 Title: Design, synthesis and biological activity of novel dimethyl-[2-[6-substituted-indol-1-yl]-ethyl]-amine as potent, selective, and orally-bioavailable 5-HT(1D) agonists. Abstract: A novel series of highly potent human 5-HT(1D) agonists, dimethyl-[2-[6-substituted-indol-1-yl]-ethyl]-amine, was synthesized. Structure-activity relationship (SAR) investigation revealed 4-[1-(2-dimethylamino-ethyl)-1H-indol-6-yl]-tetrahydro-thiopyran-4-ol, 11b (ALX-2732), as a potent (K(i)=2.4 nM) agonist at the... aid5941.table aid5941.tbin
5942 1 Title: 1-(Bicyclopiperazinyl)ethylindoles and 1-(homopiperazinyl)ethyl-indoles as highly selective and potent 5-HT(7) receptor ligands. Abstract: A novel series of 1-(bicyclopiperazinyl)ethylindole and 1-(homopiperazinyl)ethyl-indole derivatives was synthesized and found to be potent and selective 5-HT(7) receptor ligands. aid5942.table aid5942.tbin
5943 1 Title: 2,3,4,5-tetrahydro- and 2,3,4,5,11,11a-hexahydro-1H-[1,4]diazepino[1,7-a]indoles: new templates for 5-HT(2C) agonists. Abstract: The design and synthesis of the novel 2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole 5 is described. This azepinoindole has excellent affinity for 5-HT(2C) (K(i) 4.8 nM) and modest selectivity over 5-HT(2A) ( approximately 4-fold). Several N- and C(11)-substituted analogues of 5 were prepared, as were a number of biaryl indoline derivatives. The anxiolytic po... aid5943.table aid5943.tbin
5944 14 Title: Synthesis and evaluation of 5-HT(2A) and 5-HT(2C) receptor binding affinities of novel pyrimidine derivatives. Abstract: In an effort to find potential anxiolytic and/or antipsychotic agents with selective 5-HT(2C) affinity a series of new pyrimidine derivatives was prepared and the binding affinities for 5-HT(2A) and 5-HT(2C) receptors were determined. aid5944.table aid5944.tbin
5945 3 Title: Structural determinants for high 5-HT(2A) receptor affinity of spiro[9,10-dihydroanthracene]-9,3(')-pyrrolidine (SpAMDA). Abstract: The synthesis and 5-HT(2A) receptor affinities of ring altered derivatives of spiro[9,10-dihydroanthracene]-9,3(')-pyrrolidine (4), a structurally unique tetracyclic 5-HT(2A) receptor antagonist, are described. The characteristics of the parent compound prove to be necessary for optimal 5-HT(2A) receptor affinity. However, expansion of the size of the pyrroli... aid5945.table aid5945.tbin
5946 33 Title: Novel, highly potent, selective 5-HT2A/D2 receptor antagonists as potential atypical antipsychotics. Abstract: The discovery of N-substituted-pyridoindolines and their binding affinities at the 5-HT(2A), 5-HT(2C) and D(2) receptors, and in vivo efficacy as 5-HT(2A) antagonists is described. The structure-activity relationship of a series of core tetracyclic derivatives with varying butyrophenone sidechains is also discussed. This study has led to the identification of potent, orally bioav... aid5946.table aid5946.tbin
5947 3 Title: Conformationally restricted indolopiperidine derivatives as potent CCR2B receptor antagonists. Abstract: The preparation and biological evaluation of a series of indolopiperidine CCR2B receptor antagonists possessing a conformationally restricted C-5 linker chain in combination with a restricted piperidine ring are described. Compared to the parent compound 1, analogue 8 shows a dramatic improvement in selectivity against a range of 5-HT and dopaminergic receptors. aid5947.table aid5947.tbin
5948 1 Compound was evaluated for the binding affinity towards 5-hydroxytryptamine 2C receptor by displacement of [3H]-Ketanserin aid5948.table aid5948.tbin
5949 8 Binding affinity towards 5-hydroxytryptamine 2C receptor by displacement of [3H]N-methyl-mesulergine aid5949.table aid5949.tbin
5950 2 Title: Conformationally restricted indolopiperidine derivatives as potent CCR2B receptor antagonists. Abstract: The preparation and biological evaluation of a series of indolopiperidine CCR2B receptor antagonists possessing a conformationally restricted C-5 linker chain in combination with a restricted piperidine ring are described. Compared to the parent compound 1, analogue 8 shows a dramatic improvement in selectivity against a range of 5-HT and dopaminergic receptors. aid5950.table aid5950.tbin
5951 15 Title: Chemoenzymatic synthesis and binding affinity of novel (R)- and (S)-3-aminomethyl-1-tetralones, potential atypical antipsychotics. Abstract: A series of (R)- and (S)-3-aminomethyl-1-tetralones, conformationally constrained analogues of haloperidol, have been obtained by enzymatic resolution of the corresponding racemic 3-hydroxymethyl-1-tetralones using Pseudomonas fluorescens lipase. Their binding affinities at dopamine D(2) and serotonin 5-HT(2A) and 5-HT(2C) receptors were determined s... aid5951.table aid5951.tbin
5952 1 Title: Design and synthesis of novel 2,3-dihydro-1H-isoindoles with high affinity and selectivity for the dopamine D3 receptor. Abstract: Starting from the tetrahydroisoquinoline SB-277011 1, a novel series of 5-substituted-2,3-dihydro-1H-isoindoles has been designed. Subsequent optimisation resulted in identification of 19, which has high affinity for the dopamine D3 receptor (pKi 8.3) and &gt; or = 100-fold selectivity over other aminergic receptors. In rat studies 19 was brain penetrant with ... aid5952.table aid5952.tbin
5953 1 Title: (1-Butyl-4-piperidinyl)methyl 8-amino-7-chloro-1,4-benzodioxane-5-carboxylate hydrochloride: a highly potent and selective 5-HT4 receptor antagonist derived from metoclopramide. aid5953.table aid5953.tbin
5954 1 Title: (1-Butyl-4-piperidinyl)methyl 8-amino-7-chloro-1,4-benzodioxane-5-carboxylate hydrochloride: a highly potent and selective 5-HT4 receptor antagonist derived from metoclopramide. aid5954.table aid5954.tbin
5955 1 Title: New benzo[h][1,6]naphthyridine and azepino[3,2-c]quinoline derivatives as selective antagonists of 5-HT4 receptors: binding profile and pharmacological characterization. Abstract: A series of benzo[h][1,6]naphthyridine and azepino[3,2-c]quinoline derivatives were prepared and evaluated to determine the necessary requirements for high affinity on the 5-HT(4) receptors and high selectivity versus other receptors. The compounds were synthesized by substituting the chlorine atom of benzonapht... aid5955.table aid5955.tbin
5956 2 Title: Selective, orally active 5-HT1D receptor agonists as potential antimigraine agents. aid5956.table aid5956.tbin
5957 1 Title: Homoazanicotine: a structure-affinity study for nicotinic acetylcholine (nACh) receptor binding. Abstract: We have recently identified 3-[(1-methyl)-4,5-dihydro-1H-imidazol-2-yl)methyl]pyridine (homoazanicotine, 8) as a novel nicotinic acetylcholinergic (nACh) receptor ligand. In the present investigation, after we determined that 8 binds selectively at nicotinic (K(i) = 7.8 nM) vs muscarinic (K(i) &gt; 10,000 nM) acetylcholinergic receptors, we examined its structure-affinity relationshi... aid5957.table aid5957.tbin
5958 1 Title: 8-acenaphthen-1-yl-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one derivatives as orphanin FQ receptor agonists. Abstract: A series of 8-acenaphthen-1-yl-1-phenyl-1,3,8-triaza-spiro[4.5]decan+ ++-4-one derivatives 1 was studied with respect to the binding affinity for the orphanin FQ (OFQ) and opioid (mu, kappa, delta) receptors. The influence of stereochemistry as well as the substitution pattern of the phenyl-ring in position 1 on the affinity for the orphanin FQ receptor and selectivity to... aid5958.table aid5958.tbin
5959 2 Binding affinity against 5-hydroxytryptamine 2C receptor aid5959.table aid5959.tbin
5960 1 Compound was evaluated for binding affinity against 5-hydroxytryptamine 2C receptor using radioligand binding assay aid5960.table aid5960.tbin
5961 1 Title: Development of a presynaptic 5-HT1A antagonist. Abstract: A new 5-HT(1A) silent antagonist 14 (5-HT(1A) IC(50)=2.2 nM) antagonizes the effects of agonists on reciprocal forepaw treading behavior, on neuronal firing in the rat dorsal raphe, and on 5-HT(1A) release in the raphe and hippocampus. While 14 alone was inactive in the social interaction paradigm, it completely reversed the social interaction activity of the serotonergic compounds (buspirone, 1, and 2). aid5961.table aid5961.tbin
5962 1 Title: Analogues of the 5-HT1A serotonin antagonist 1-(2-methoxyphenyl)-4-[4-(2-phthalimido)butyl]piperazine with reduced alpha 1-adrenergic affinity. Abstract: 1-(2-Methoxyphenyl)-4-[4-(2-phthalimido)butyl]piperazine (NAN-190; 1a) is a putative postsynaptic 5-HT1A serotonin antagonist. This high affinity ligand (Ki = 0.6 nM), although selective for 5-HT1A versus other 5-HT receptors, binds with nearly equal affinity at alpha 1-adrenergic receptors (Ki = 0.8 nm). Structure-affinity relationship ... aid5962.table aid5962.tbin
5963 27 Title: Phenylimidazolidin-2-one derivatives as selective 5-HT3 receptor antagonists and refinement of the pharmacophore model for 5-HT3 receptor binding. Abstract: A possible bioisosterism between the benzamido and the phenylimidazolidin-2-one moieties has been suggested on the basis of the similarity between the molecular electrostatic potential (MEP) of metoclopramide, a D2 receptor antagonist with weak 5-HT3 receptor antagonist properties, and zetidoline, a D2 receptor antagonist. Starting fr... aid5963.table aid5963.tbin
5964 4 Title: Conformation-activity relationship study of 5-HT3 receptor antagonists and a definition of a model for this receptor site. Abstract: A conformation-activity relationship study of 5-HT3 receptor antagonists was used to define a pharmacophore and receptor map to qualitatively account for their activity. The design and synthesis of specific keto-amino-indole derivatives that are potent 5-HT3 receptor antagonists gave some support to the model. aid5964.table aid5964.tbin
5965 3 Title: Histaprodifens: synthesis, pharmacological in vitro evaluation, and molecular modeling of a new class of highly active and selective histamine H(1)-receptor agonists. Abstract: A new class of histamine analogues characterized by a 3, 3-diphenylpropyl substituent at the 2-position of the imidazole nucleus has been prepared outgoing from 4,4-diphenylbutyronitrile (4b) via cyclization of the corresponding methyl imidate 5b with 2-oxo-4-phthalimido-1-butyl acetate or 2-oxo-1,4-butandiol in li... aid5965.table aid5965.tbin
5966 2 Title: Histaprodifens: synthesis, pharmacological in vitro evaluation, and molecular modeling of a new class of highly active and selective histamine H(1)-receptor agonists. Abstract: A new class of histamine analogues characterized by a 3, 3-diphenylpropyl substituent at the 2-position of the imidazole nucleus has been prepared outgoing from 4,4-diphenylbutyronitrile (4b) via cyclization of the corresponding methyl imidate 5b with 2-oxo-4-phthalimido-1-butyl acetate or 2-oxo-1,4-butandiol in li... aid5966.table aid5966.tbin
5967 1 Title: Conformation-activity relationship study of 5-HT3 receptor antagonists and a definition of a model for this receptor site. Abstract: A conformation-activity relationship study of 5-HT3 receptor antagonists was used to define a pharmacophore and receptor map to qualitatively account for their activity. The design and synthesis of specific keto-amino-indole derivatives that are potent 5-HT3 receptor antagonists gave some support to the model. aid5967.table aid5967.tbin
5968 9 Title: Zatosetron, a potent, selective, and long-acting 5HT3 receptor antagonist: synthesis and structure-activity relationships. Abstract: Antagonists of 5HT3 receptors are clinically effective in treating nausea and emesis associated with certain oncolytic drugs, including cisplatin. Moreover, these agents may be useful in pharmacological management of several central nervous system disorders, including anxiety, schizophrenia, dementia, and substance abuse. Our studies on aroyltropanamides led... aid5968.table aid5968.tbin
5969 1 Title: First tricyclic oximino derivatives as 5-HT3 ligands. Abstract: The design and synthesis of a new type of 5-HT3 ligand with subnanomolar affinity are described. The O-dialkylaminoethyloximinothienopyrrolizine structure was deduced from molecular modeling studies by replacement of an amidine moiety by an oximino one. aid5969.table aid5969.tbin
5970 1 Title: First tricyclic oximino derivatives as 5-HT3 ligands. Abstract: The design and synthesis of a new type of 5-HT3 ligand with subnanomolar affinity are described. The O-dialkylaminoethyloximinothienopyrrolizine structure was deduced from molecular modeling studies by replacement of an amidine moiety by an oximino one. aid5970.table aid5970.tbin
5971 1 Title: First tricyclic oximino derivatives as 5-HT3 ligands. Abstract: The design and synthesis of a new type of 5-HT3 ligand with subnanomolar affinity are described. The O-dialkylaminoethyloximinothienopyrrolizine structure was deduced from molecular modeling studies by replacement of an amidine moiety by an oximino one. aid5971.table aid5971.tbin
5972 1 Title: First tricyclic oximino derivatives as 5-HT3 ligands. Abstract: The design and synthesis of a new type of 5-HT3 ligand with subnanomolar affinity are described. The O-dialkylaminoethyloximinothienopyrrolizine structure was deduced from molecular modeling studies by replacement of an amidine moiety by an oximino one. aid5972.table aid5972.tbin
5973 1 Title: First tricyclic oximino derivatives as 5-HT3 ligands. Abstract: The design and synthesis of a new type of 5-HT3 ligand with subnanomolar affinity are described. The O-dialkylaminoethyloximinothienopyrrolizine structure was deduced from molecular modeling studies by replacement of an amidine moiety by an oximino one. aid5973.table aid5973.tbin
5974 1 Title: First tricyclic oximino derivatives as 5-HT3 ligands. Abstract: The design and synthesis of a new type of 5-HT3 ligand with subnanomolar affinity are described. The O-dialkylaminoethyloximinothienopyrrolizine structure was deduced from molecular modeling studies by replacement of an amidine moiety by an oximino one. aid5974.table aid5974.tbin
5975 1 Title: Benzimidazole derivatives. 2. Synthesis and structure-activity relationships of new azabicyclic benzimidazole-4-carboxylic acid derivatives with affinity for serotoninergic 5-HT(3) receptors. Abstract: A new series of azabicyclic benzimidazole-4-carboxamides 2-21 and -carboxylates 22-30 were synthesized and evaluated for binding affinity at serotoninergic 5-HT(3) and 5-HT(4) receptors in the CNS. Most of the synthesized compounds exhibited high or very high affinity for the 5-HT(3) bindin... aid5975.table aid5975.tbin
5976 4 Title: Benzimidazole derivatives. 2. Synthesis and structure-activity relationships of new azabicyclic benzimidazole-4-carboxylic acid derivatives with affinity for serotoninergic 5-HT(3) receptors. Abstract: A new series of azabicyclic benzimidazole-4-carboxamides 2-21 and -carboxylates 22-30 were synthesized and evaluated for binding affinity at serotoninergic 5-HT(3) and 5-HT(4) receptors in the CNS. Most of the synthesized compounds exhibited high or very high affinity for the 5-HT(3) bindin... aid5976.table aid5976.tbin
5977 26 Title: Novel antagonists of 5-HT3 receptors. Synthesis and biological evaluation of piperazinylquinoxaline derivatives. Abstract: A series of piperazinylquinoxalines has been synthesized and studied as 5-HT3 receptor antagonists in different preparations. Antagonism to 5-HT in the longitudinal muscle of the guinea pig ileum was particularly prominent in cyanoquinoxaline derivatives with an alkyl substitutuent on the piperazine moiety. The pA2 of some selected compounds against the 5-HT3 agonist ... aid5977.table aid5977.tbin
5978 9 In vitro 5-hydroxytryptamine 3 receptor activity in guinea pig ileum aid5978.table aid5978.tbin
5979 2 In vitro 5-hydroxytryptamine 3 receptor activity in guinea pig ileum; Not tested aid5979.table aid5979.tbin
5980 34 Title: 5-HT3 receptor antagonists. 3. Quinoline derivatives which may be effective in the therapy of irritable bowel syndrome. Abstract: A series of quinolinecarboxylic acid derivatives has been previously described as a new class of 5-HT3 receptor antagonists due to deviation of a carbonyl moiety from the place of an aromatic ring in their minimum-energy conformations. These derivatives were evaluated in a wrap-restraint stress-induced defecation model in rats. Reference compounds, ondansetron ... aid5980.table aid5980.tbin
5981 1 Binding affinity against 5-hydroxytryptamine 3 receptor of guinea pig ileum aid5981.table aid5981.tbin
5982 1 Evaluated for the antagonistic activity against 5-hydroxytryptamine 3 receptor in isolated guinea pig ileum (GPI) aid5982.table aid5982.tbin
5983 13 Antagonistic activity against Serotonin 5-hydroxytryptamine 3 receptor of isolated guinea pig ileum (GPI) aid5983.table aid5983.tbin
5984 1 Tested for antagonistic activity on 5-hydroxytryptamine 3 receptor mediated effects of 5-HT in guinea pig isolated ileum aid5984.table aid5984.tbin
5985 5 Title: The serotonin 5-HT4 receptor. 2. Structure-activity studies of the indole carbazimidamide class of agonists. Abstract: A number of substituted indole carbazimidamides were prepared and evaluated as 5-HT4 receptor agonists by using the isolated field-stimulated guinea pig ileum preparation. Their selectivity for the 5-HT4 receptor was established by examining their affinity for other 5-HT receptors using radioligand-binding techniques. Several selective and highly potent full as well as pa... aid5985.table aid5985.tbin
5986 1 Title: The serotonin 5-HT4 receptor. 1. Design of a new class of agonists and receptor map of the agonist recognition site. Abstract: The design and synthesis of a new class of potent and selective 5-HT4 receptor agonists containing an indole nucleus linked to a carbazimidamide are presented. A conformational study of the 5-HT4 receptor agonists serotonin and zacopride led to the identification of an initial pharmacophore and to the definition of a three-dimensional map of the 5-HT4 agonist reco... aid5986.table aid5986.tbin
5987 1 Binding affinity against 5-hydroxytryptamine 3 receptor of guinea pig ileum aid5987.table aid5987.tbin
5988 4 Evaluated for the antagonistic activity against Serotonin 5-hydroxytryptamine 3 receptor in isolated guinea pig ileum (GPI) aid5988.table aid5988.tbin
5989 7 Binding affinity against 5-hydroxytryptamine 3 receptor of guinea pig ileum aid5989.table aid5989.tbin
5990 1 Binding affinity against 5-hydroxytryptamine 3 receptor of guinea pig ileum; Not determined aid5990.table aid5990.tbin
5991 5 Binding affinity towards 5-hydroxytryptamine 3 receptor of guinea pig ileum; not determined aid5991.table aid5991.tbin
5992 7 Title: Synthesis and structure-activity relationships of potent and orally active 5-HT4 receptor antagonists: indazole and benzimidazolone derivatives. Abstract: A series of indole-3-carboxamides, indazole-3-carboxamides, and benzimidazolone-3-carboxamides was synthesized and evaluated for antagonist affinity at the 5-HT4 receptor in the rat esophagus. The endo-3-tropanamine derivatives in the indazole and benzimidazolone series possessed greater 5-HT4 receptor affinity than the corresponding in... aid5992.table aid5992.tbin
5993 1 Title: N-[(1-butyl-4-piperidinyl)methyl]-3,4dihydro-2H-[1,3]oxazino[3,2- a]indole10-carboxamide hydrochloride: the first potent and selective 5-HT4 receptor antagonist amide with oral activity. aid5993.table aid5993.tbin
5994 1 Title: New tetrahydrobenzindoles as potent and selective 5-HT(7) antagonists with increased In vitro metabolic stability. Abstract: Chemical modifications of compound 1 (DR4004), a potent, selective antagonist of the 5-HT(7) receptor, were conducted with the aim of improving its metabolic stability. Halogenation of putative sites of oxidative metabolism afforded compounds 7-10, which retained high affinity and selectivity for the 5-HT(7) receptor, and showed increased in vitro metabolic stabilit... aid5994.table aid5994.tbin
5995 1 Title: (+/-)8-Amino-5,6,7,8-tetrahydroisoquinolines as novel antinociceptive agents. Abstract: Several amine-substituted 8-amino-5,6,7,8-tetrahydroisoquinolines were examined as conformationally-constrained analogs of the nicotinic cholinergic (nACh) 3-(aminomethyl)pyridines. Although these ligands failed to bind at nACh receptors, the N-ethyl-N-methyl analog 3d was found to be at least equipotent with nicotine in rodent tests of antinociception. The mechanism of action of 3d is currently unknow... aid5995.table aid5995.tbin
5996 4 Title: Binding of beta-carbolines at 5-HT(2) serotonin receptors. Abstract: A series of ring-substituted (i.e., methoxy and bromo) 3,4-dihydro- and 1,2,3,4-tetrahydro-beta-carbolines was examined at 5-HT(2A) and 5-HT(2C) serotonin receptors. Whereas most of the methoxy-substituted derivatives typically displayed affinities similar to their unsubstituted parents, certain (particularly 8-substituted) bromo derivatives displayed enhanced affinity. A binding profile was obtained for selected beta-ca... aid5996.table aid5996.tbin
5997 1 Title: Synthesis and serotonergic activity of N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethylamine and analogues: potent agonists for 5-HT1D receptors. Abstract: The synthesis and the 5-HT receptor activity of a novel series of N,N-dimethyltryptamines substituted in the 5-position with an imidazole, triazole, or tetrazole ring are described. The objective of this work was to identify potent and selective 5-HT1D receptor agonists with high oral bioavailability and low central ner... aid5997.table aid5997.tbin
5998 1 Title: Synthesis and serotonergic activity of N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethylamine and analogues: potent agonists for 5-HT1D receptors. Abstract: The synthesis and the 5-HT receptor activity of a novel series of N,N-dimethyltryptamines substituted in the 5-position with an imidazole, triazole, or tetrazole ring are described. The objective of this work was to identify potent and selective 5-HT1D receptor agonists with high oral bioavailability and low central ner... aid5998.table aid5998.tbin
5999 3 Title: Synthesis and structure-activity relationship of 2-(aminoalkyl)-2,3,3a,8-tetrahydrodibenzo[c,f]isoxazolo[2,3-a]azepine derivatives: a novel series of 5-HT(2A/2C) receptor antagonists. Part 1. Abstract: The synthesis of a series of novel 2-(aminoalkyl)-2,3,3a,8-tetrahydrodibenzo[c,f]isoxazolo[2,3-a]azepine derivatives as well as their 5-HT(2A/2C) and H(1) receptor binding affinities are described. The in vivo activity as potential anxiolytics of the synthesised compounds was measured in a ... aid5999.table aid5999.tbin
6000 6 Title: Synthesis and structure-activity relationship of 2-(aminoalkyl)-2,3,3a,8-tetrahydrodibenzo[c,f]isoxazolo[2,3-a]azepine derivatives: a novel series of 5-HT(2A/2C) receptor antagonists. Part 2. Abstract: Following the programme started at Janssen Research Foundation searching for 5-HT(2A/2C) antagonists, we now report on the synthesis of a series of substituted 2-(Dimethylaminomethyl)-2,3,3a,8-tetrahydrodibenzo[c,f]isoxazolo[2,3-a]azepine derivatives. The 5-HT(2A), 5-HT(2C) and H(1) recepto... aid6000.table aid6000.tbin
6001 1 Title: Synthesis and structure-activity relationship of 2-(aminoalkyl)-2,3,3a,8-tetrahydrodibenzo[c,f]isoxazolo[2,3-a]azepine derivatives: a novel series of 5-HT(2A/2C) receptor antagonists. Part 1. Abstract: The synthesis of a series of novel 2-(aminoalkyl)-2,3,3a,8-tetrahydrodibenzo[c,f]isoxazolo[2,3-a]azepine derivatives as well as their 5-HT(2A/2C) and H(1) receptor binding affinities are described. The in vivo activity as potential anxiolytics of the synthesised compounds was measured in a ... aid6001.table aid6001.tbin
6002 1 Title: N1-(Benzenesulfonyl)tryptamines as novel 5-HT6 antagonists. Abstract: N-Benzenesulfonyl-5-methoxy-N,N-dimethyltryptamine (BS/5-OMe DMT; 5) was shown to bind at human 5-HT6 serotonin receptors with high affinity (Ki = 2.3 nM) relative to serotonin (Ki = 78 nM). Structural variation failed to result in significantly enhanced affinity. BS/5-OMe DMT acts as an antagonist of 5-HT-stimulated adenylate cyclase (pA2 = 8.88 nM) and may represent the first member of a novel class of 5-HT6 antagonis... aid6002.table aid6002.tbin
6003 14 Title: 3-amino-3,4-dihydro-2H-1-benzopyran derivatives as 5-HT1A receptor ligands and potential anxiolytic agents. 2. Synthesis and quantitative structure-activity relationship studies of spiro[pyrrolidine- and piperidine-2,3'(2'H)-benzopyrans]. Abstract: In continuation of our work on 3-amino-3,4-dihydro-2H-1-benzopyran derivatives with high affinity for 5-HT1A receptors, we have prepared rigid spirobenzopyran analogues designed from the pharmacophore models of Mellin and selected via a quantit... aid6003.table aid6003.tbin
6004 1 Title: Synthesis, in vitro binding profile, and central nervous system penetrability of the highly potent 5-HT3 receptor antagonist [3H]-4-(2-methoxyphenyl)-2-[4(5)-methyl-5(4)-imidazolylmethyl]thiazole. Abstract: 4-(2-Methoxyphenyl)-2-[4(5)-methyl-5(4)-imidazolylmethyl]thiazole (5) is a highly potent member of a structurally novel series of selective serotonin-3 receptor antagonists. The synthesis of tritiated 5 and its binding profile in neuroblastoma-glioma 108-15 cells are described. Further... aid6004.table aid6004.tbin
6005 3 Title: Synthesis, in vitro binding profile, and central nervous system penetrability of the highly potent 5-HT3 receptor antagonist [3H]-4-(2-methoxyphenyl)-2-[4(5)-methyl-5(4)-imidazolylmethyl]thiazole. Abstract: 4-(2-Methoxyphenyl)-2-[4(5)-methyl-5(4)-imidazolylmethyl]thiazole (5) is a highly potent member of a structurally novel series of selective serotonin-3 receptor antagonists. The synthesis of tritiated 5 and its binding profile in neuroblastoma-glioma 108-15 cells are described. Further... aid6005.table aid6005.tbin
6006 1 Title: The serotonin 5-HT4 receptor. 1. Design of a new class of agonists and receptor map of the agonist recognition site. Abstract: The design and synthesis of a new class of potent and selective 5-HT4 receptor agonists containing an indole nucleus linked to a carbazimidamide are presented. A conformational study of the 5-HT4 receptor agonists serotonin and zacopride led to the identification of an initial pharmacophore and to the definition of a three-dimensional map of the 5-HT4 agonist reco... aid6006.table aid6006.tbin
6007 1 Title: The serotonin 5-HT4 receptor. 1. Design of a new class of agonists and receptor map of the agonist recognition site. Abstract: The design and synthesis of a new class of potent and selective 5-HT4 receptor agonists containing an indole nucleus linked to a carbazimidamide are presented. A conformational study of the 5-HT4 receptor agonists serotonin and zacopride led to the identification of an initial pharmacophore and to the definition of a three-dimensional map of the 5-HT4 agonist reco... aid6007.table aid6007.tbin
6008 7 Title: Synthesis, in vitro binding profile, and central nervous system penetrability of the highly potent 5-HT3 receptor antagonist [3H]-4-(2-methoxyphenyl)-2-[4(5)-methyl-5(4)-imidazolylmethyl]thiazole. Abstract: 4-(2-Methoxyphenyl)-2-[4(5)-methyl-5(4)-imidazolylmethyl]thiazole (5) is a highly potent member of a structurally novel series of selective serotonin-3 receptor antagonists. The synthesis of tritiated 5 and its binding profile in neuroblastoma-glioma 108-15 cells are described. Further... aid6008.table aid6008.tbin
6009 1 In Vitro Binding affinity againist 5-hydroxytryptamine 3 receptor by displacing [3H]-Q-ICS 205-930 from rat cortex homogenates aid6009.table aid6009.tbin
6010 1 Title: The serotonin 5-HT4 receptor. 1. Design of a new class of agonists and receptor map of the agonist recognition site. Abstract: The design and synthesis of a new class of potent and selective 5-HT4 receptor agonists containing an indole nucleus linked to a carbazimidamide are presented. A conformational study of the 5-HT4 receptor agonists serotonin and zacopride led to the identification of an initial pharmacophore and to the definition of a three-dimensional map of the 5-HT4 agonist reco... aid6010.table aid6010.tbin
6011 10 Title: Conformation-activity relationship study of 5-HT3 receptor antagonists and a definition of a model for this receptor site. Abstract: A conformation-activity relationship study of 5-HT3 receptor antagonists was used to define a pharmacophore and receptor map to qualitatively account for their activity. The design and synthesis of specific keto-amino-indole derivatives that are potent 5-HT3 receptor antagonists gave some support to the model. aid6011.table aid6011.tbin
6012 1 Title: (+)-cis-4,5,7a,8,9,10,11,11a-octahydro-7H-10-methylindolo[1,7- bc][2,6]-naphthyridine: a 5-HT2C/2B receptor antagonist with low 5-HT2A receptor affinity. Abstract: The indolonaphthyridine 8 is described as a selective 5-HT2C/2B vs 5-HT2A receptor antagonist. The compound was synthesized in seven steps starting from indoline and isonicotinic acid chloride. The key step is a photocyclization of the indolinyl tetrahydropyridinocarbamic acid ethyl ester 4 to the cis-octahydroindolo[1, 7-bc][2... aid6012.table aid6012.tbin
6013 1 Title: (+)-cis-4,5,7a,8,9,10,11,11a-octahydro-7H-10-methylindolo[1,7- bc][2,6]-naphthyridine: a 5-HT2C/2B receptor antagonist with low 5-HT2A receptor affinity. Abstract: The indolonaphthyridine 8 is described as a selective 5-HT2C/2B vs 5-HT2A receptor antagonist. The compound was synthesized in seven steps starting from indoline and isonicotinic acid chloride. The key step is a photocyclization of the indolinyl tetrahydropyridinocarbamic acid ethyl ester 4 to the cis-octahydroindolo[1, 7-bc][2... aid6013.table aid6013.tbin
6014 2 Title: The serotonin 5-HT4 receptor. 1. Design of a new class of agonists and receptor map of the agonist recognition site. Abstract: The design and synthesis of a new class of potent and selective 5-HT4 receptor agonists containing an indole nucleus linked to a carbazimidamide are presented. A conformational study of the 5-HT4 receptor agonists serotonin and zacopride led to the identification of an initial pharmacophore and to the definition of a three-dimensional map of the 5-HT4 agonist reco... aid6014.table aid6014.tbin
6015 2 Compound was evaluated for binding to 5-hydroxytryptamine 3 receptor in N1E cells using [3H]- -Tropisetron as radioligand aid6015.table aid6015.tbin
6016 4 Compound was evaluated for binding to Serotonin 5-hydroxytryptamine 3 receptor in N1E cells using [3H]- -Tropisetron as radioligand aid6016.table aid6016.tbin
6017 1 Title: Conformation-activity relationship study of 5-HT3 receptor antagonists and a definition of a model for this receptor site. Abstract: A conformation-activity relationship study of 5-HT3 receptor antagonists was used to define a pharmacophore and receptor map to qualitatively account for their activity. The design and synthesis of specific keto-amino-indole derivatives that are potent 5-HT3 receptor antagonists gave some support to the model. aid6017.table aid6017.tbin
6018 2 Title: Tetrahydrothienopyridylbutyl-tetrahydrobenzindoles: new selective ligands of the 5-HT(7) receptor. Abstract: The synthesis and the affinity for the 5-HT(7) receptor and other receptors of a novel series of fused-ring tetrahydropyridine derivatives are described. Some of the compounds showed high affinity for the 5-HT(7) receptor. Tetrahydrothienopyridylbutyl-tetrahydrobenzindoles and are potent ligands for the 5-HT(7) receptor, with high selectivity over the 5-HT(2) receptor and other rec... aid6018.table aid6018.tbin
6019 1 Title: 2a-[4-(Tetrahydropyridoindol-2-yl)butyl]tetrahydrobenzindole derivatives: new selective antagonists of the 5-hydroxytryptamine7 receptor. Abstract: A series of tetrahydrobenzindoles was prepared, and the affinity of these compounds for the 5-hydroxytryptamine7 (5-HT7) receptor and other receptors was evaluated. Most of the compounds showed high affinity for the 5-HT7 receptor, and 2a-[4-(tetrahydropyridoindol-2-yl)butyl]tetrahydrobenzindole derivatives (26a-j) exhibited high selectivity f... aid6019.table aid6019.tbin
6020 7 Title: An initial three-component pharmacophore for specific serotonin-3 receptor ligands. Abstract: With computer modeling, an initial three-component pharmacophore for specific 5-HT3 receptor ligands ICS-205-930 (1), ondansetron (2), zacopride (3), and 3-[2-(guanidinylmethyl)-4-thiazolyl]indol (4) has been identified. Two parts represent electrostatic interactions, one as a hydrogen-bond-donating interaction and the other as a hydrogen-bond-accepting interaction. The third part is represented ... aid6020.table aid6020.tbin
6021 3 Title: New benzocycloalkylpiperazines, potent and selective 5-HT1A receptor ligands. Abstract: A series of 1-(benzocycloalkyl)-4-(benzamidolkyl)piperazine derivatives was prepared in order to obtain compounds with a high affinity and selectivity for 5-HT1A receptors. The modifications of aromatic substituents, the length of the alkyl chain, and the size of the ring were explored. Most of N-(1,2,3,4-tetrahydronaphthyl)-N'-(benzamidoethyl)piperazines (32-37) were bound to 5-HT1A receptors in a nan... aid6021.table aid6021.tbin
6022 3 Title: Dopamine D3 and D4 receptor antagonists: synthesis and structure--activity relationships of (S)-(+)-N-(1-Benzyl-3-pyrrolidinyl)-5-chloro-4- [(cyclopropylcarbonyl) amino]-2-methoxybenzamide (YM-43611) and related compounds. Abstract: In this study, we synthesized a series of (S)-N-(3-pyrrolidinyl)benzamide derivatives, 1, 2a-d, 5a-1, and 7, and their enantiomers, (R)-1 and (R)-5c-e, and evaluated their binding affinity for cloned dopamine D2, D3, and D4 receptors and their inhibitory activ... aid6022.table aid6022.tbin
6023 2 Title: Synthesis and serotonergic activity of N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethylamine and analogues: potent agonists for 5-HT1D receptors. Abstract: The synthesis and the 5-HT receptor activity of a novel series of N,N-dimethyltryptamines substituted in the 5-position with an imidazole, triazole, or tetrazole ring are described. The objective of this work was to identify potent and selective 5-HT1D receptor agonists with high oral bioavailability and low central ner... aid6023.table aid6023.tbin
6024 1 Title: N-Substituted (2,3-dihydro-1,4-benzodioxin-2-yl)methylamine derivatives as D(2) antagonists/5-HT(1A) partial agonists with potential as atypical antipsychotic agents. Abstract: A series of N-substituted 1-(2,3-dihydro-1, 4-benzodioxin-2-yl)methylamine derivatives with D(2) antagonist/5-HT(1A) partial agonist activity has been prepared as potential atypical antipsychotic agents. Optimization of in vitro receptor binding activity and in vivo activity in rodent models of psychosis has led to... aid6024.table aid6024.tbin
6025 1 Title: Synthesis and serotonergic activity of N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethylamine and analogues: potent agonists for 5-HT1D receptors. Abstract: The synthesis and the 5-HT receptor activity of a novel series of N,N-dimethyltryptamines substituted in the 5-position with an imidazole, triazole, or tetrazole ring are described. The objective of this work was to identify potent and selective 5-HT1D receptor agonists with high oral bioavailability and low central ner... aid6025.table aid6025.tbin
6026 5 Title: Conformation-activity relationship study of 5-HT3 receptor antagonists and a definition of a model for this receptor site. Abstract: A conformation-activity relationship study of 5-HT3 receptor antagonists was used to define a pharmacophore and receptor map to qualitatively account for their activity. The design and synthesis of specific keto-amino-indole derivatives that are potent 5-HT3 receptor antagonists gave some support to the model. aid6026.table aid6026.tbin
6027 7 Title: Conformation-activity relationship study of 5-HT3 receptor antagonists and a definition of a model for this receptor site. Abstract: A conformation-activity relationship study of 5-HT3 receptor antagonists was used to define a pharmacophore and receptor map to qualitatively account for their activity. The design and synthesis of specific keto-amino-indole derivatives that are potent 5-HT3 receptor antagonists gave some support to the model. aid6027.table aid6027.tbin
6028 5 Title: Conformation-activity relationship study of 5-HT3 receptor antagonists and a definition of a model for this receptor site. Abstract: A conformation-activity relationship study of 5-HT3 receptor antagonists was used to define a pharmacophore and receptor map to qualitatively account for their activity. The design and synthesis of specific keto-amino-indole derivatives that are potent 5-HT3 receptor antagonists gave some support to the model. aid6028.table aid6028.tbin
6029 1 Title: Conformation-activity relationship study of 5-HT3 receptor antagonists and a definition of a model for this receptor site. Abstract: A conformation-activity relationship study of 5-HT3 receptor antagonists was used to define a pharmacophore and receptor map to qualitatively account for their activity. The design and synthesis of specific keto-amino-indole derivatives that are potent 5-HT3 receptor antagonists gave some support to the model. aid6029.table aid6029.tbin
6030 2 Evaluated for the antagonistic activity against 5-hydroxytryptamine 3 receptor in isolated perfused rabbit heart (RH) aid6030.table aid6030.tbin
6031 2 Evaluated for the antagonistic activity against 5-hydroxytryptamine 3 receptor in isolated rabbit vagus nerve (RVN) aid6031.table aid6031.tbin
6032 1 Evaluated for the antagonistic activity against Serotonin 5-hydroxytryptamine 3 receptor in isolated guinea pig ileum (GPI) aid6032.table aid6032.tbin
6033 6 Evaluated for the antagonistic activity against Serotonin 5-hydroxytryptamine 3 receptor in isolated perfused rabbit heart (RH) aid6033.table aid6033.tbin
6034 10 Antagonistic activity against Serotonin 5-hydroxytryptamine 3 receptor in isolated rabbit vagus nerve (RVN) aid6034.table aid6034.tbin
6035 4 Evaluated for the antagonistic activity against Serotonin 5-hydroxytryptamine 3 receptor in isolated perfused rabbit heart (RH) aid6035.table aid6035.tbin
6036 5 Evaluated for the antagonistic activity against Serotonin 5-hydroxytryptamine 3 receptor in isolated rabbit vagus nerve (RVN) aid6036.table aid6036.tbin
6037 1 Title: Computer-aided design and synthesis of 5-substituted tryptamines and their pharmacology at the 5-HT1D receptor: discovery of compounds with potential anti-migraine properties. Abstract: The design and synthesis of a series of novel 5-substituted tryptamines with pharmacological activity at 5-HT1D and other monoamine receptors is described. Structural modifications of N- and C-linked (principally hydantoin) analogues at the 5-position were synthesized and their pharmacological activities w... aid6037.table aid6037.tbin
6038 13 In vitro displacement of [3H]-LY 278584 from rat cerebral cortex 5-hydroxytryptamine 3 receptor aid6038.table aid6038.tbin
6039 2 Title: New 1-aryl-3-(4-arylpiperazin-1-yl)propane derivatives, with dual action at 5-HT1A serotonin receptors and serotonin transporter, as a new class of antidepressants. Abstract: In a search toward new and efficient antidepressants, 1-aryl-3-(4-arylpiperazin-1-yl)propane derivatives were designed, synthesized, and evaluated for 5-HT reuptake inhibition and 5-HT1A receptor antagonism. This dual pharmacological profile should lead, in principle, to a rapid and pronounced enhancement in serotoni... aid6039.table aid6039.tbin
6040 1 Title: New 1-aryl-3-(4-arylpiperazin-1-yl)propane derivatives, with dual action at 5-HT1A serotonin receptors and serotonin transporter, as a new class of antidepressants. Abstract: In a search toward new and efficient antidepressants, 1-aryl-3-(4-arylpiperazin-1-yl)propane derivatives were designed, synthesized, and evaluated for 5-HT reuptake inhibition and 5-HT1A receptor antagonism. This dual pharmacological profile should lead, in principle, to a rapid and pronounced enhancement in serotoni... aid6040.table aid6040.tbin
6041 10 Title: Aromatic thiazole derivatives: structurally novel and selective serotonin-3 receptor antagonists. aid6041.table aid6041.tbin
6042 23 Title: Benzoxazole derivatives as novel 5-HT3 receptor partial agonists in the gut. Abstract: A series of benzoxazoles with a nitrogen-containing heterocyclic substituent at the 2-position was prepared and evaluated for 5-HT3 partial agonist activity on isolated guinea pig ileum. The nature of the substituent at the 5-position of the benzoxazole ring affected the potency for the 5-HT3 receptor, and the 5-chloro derivatives showed increased potency and lowered intrinsic activity. 5-Chloro-7-methy... aid6042.table aid6042.tbin
6043 1 Title: Novel selective and partial agonists of 5-HT3 receptors. Part 1. Synthesis and biological evaluation of piperazinopyrrolothienopyrazines. Abstract: A series of piperazinopyrrolo[1,2-a]thieno[3,2-e]- and -[2,3-e]pyrazine derivatives were prepared and evaluated in order to determine the necessary requirements for high affinity on the 5-HT3 receptors and high selectivity versus other 5-HT receptor subtypes. Various substitutions on the piperazine and the thiophene ring of the pyrrolothienopy... aid6043.table aid6043.tbin
6044 2 Title: Novel selective and partial agonists of 5-HT3 receptors. Part 1. Synthesis and biological evaluation of piperazinopyrrolothienopyrazines. Abstract: A series of piperazinopyrrolo[1,2-a]thieno[3,2-e]- and -[2,3-e]pyrazine derivatives were prepared and evaluated in order to determine the necessary requirements for high affinity on the 5-HT3 receptors and high selectivity versus other 5-HT receptor subtypes. Various substitutions on the piperazine and the thiophene ring of the pyrrolothienopy... aid6044.table aid6044.tbin
6045 1 Title: Novel selective and partial agonists of 5-HT3 receptors. Part 1. Synthesis and biological evaluation of piperazinopyrrolothienopyrazines. Abstract: A series of piperazinopyrrolo[1,2-a]thieno[3,2-e]- and -[2,3-e]pyrazine derivatives were prepared and evaluated in order to determine the necessary requirements for high affinity on the 5-HT3 receptors and high selectivity versus other 5-HT receptor subtypes. Various substitutions on the piperazine and the thiophene ring of the pyrrolothienopy... aid6045.table aid6045.tbin
6046 4 Title: Novel selective and partial agonists of 5-HT3 receptors. Part 1. Synthesis and biological evaluation of piperazinopyrrolothienopyrazines. Abstract: A series of piperazinopyrrolo[1,2-a]thieno[3,2-e]- and -[2,3-e]pyrazine derivatives were prepared and evaluated in order to determine the necessary requirements for high affinity on the 5-HT3 receptors and high selectivity versus other 5-HT receptor subtypes. Various substitutions on the piperazine and the thiophene ring of the pyrrolothienopy... aid6046.table aid6046.tbin
6047 1 Title: Novel selective and partial agonists of 5-HT3 receptors. Part 1. Synthesis and biological evaluation of piperazinopyrrolothienopyrazines. Abstract: A series of piperazinopyrrolo[1,2-a]thieno[3,2-e]- and -[2,3-e]pyrazine derivatives were prepared and evaluated in order to determine the necessary requirements for high affinity on the 5-HT3 receptors and high selectivity versus other 5-HT receptor subtypes. Various substitutions on the piperazine and the thiophene ring of the pyrrolothienopy... aid6047.table aid6047.tbin
6048 1 Title: Novel selective and partial agonists of 5-HT3 receptors. Part 1. Synthesis and biological evaluation of piperazinopyrrolothienopyrazines. Abstract: A series of piperazinopyrrolo[1,2-a]thieno[3,2-e]- and -[2,3-e]pyrazine derivatives were prepared and evaluated in order to determine the necessary requirements for high affinity on the 5-HT3 receptors and high selectivity versus other 5-HT receptor subtypes. Various substitutions on the piperazine and the thiophene ring of the pyrrolothienopy... aid6048.table aid6048.tbin
6049 1 Title: Novel selective and partial agonists of 5-HT3 receptors. Part 1. Synthesis and biological evaluation of piperazinopyrrolothienopyrazines. Abstract: A series of piperazinopyrrolo[1,2-a]thieno[3,2-e]- and -[2,3-e]pyrazine derivatives were prepared and evaluated in order to determine the necessary requirements for high affinity on the 5-HT3 receptors and high selectivity versus other 5-HT receptor subtypes. Various substitutions on the piperazine and the thiophene ring of the pyrrolothienopy... aid6049.table aid6049.tbin
6050 1 Title: Novel selective and partial agonists of 5-HT3 receptors. Part 1. Synthesis and biological evaluation of piperazinopyrrolothienopyrazines. Abstract: A series of piperazinopyrrolo[1,2-a]thieno[3,2-e]- and -[2,3-e]pyrazine derivatives were prepared and evaluated in order to determine the necessary requirements for high affinity on the 5-HT3 receptors and high selectivity versus other 5-HT receptor subtypes. Various substitutions on the piperazine and the thiophene ring of the pyrrolothienopy... aid6050.table aid6050.tbin
6051 2 Title: Novel selective and partial agonists of 5-HT3 receptors. Part 1. Synthesis and biological evaluation of piperazinopyrrolothienopyrazines. Abstract: A series of piperazinopyrrolo[1,2-a]thieno[3,2-e]- and -[2,3-e]pyrazine derivatives were prepared and evaluated in order to determine the necessary requirements for high affinity on the 5-HT3 receptors and high selectivity versus other 5-HT receptor subtypes. Various substitutions on the piperazine and the thiophene ring of the pyrrolothienopy... aid6051.table aid6051.tbin
6052 10 Antagonism of 5-HT-induced Von Bezold-Jarisch reflex in rat after intravenous administration of 30 ug/kg of HT (5-hydroxytryptamine 3 receptor antagonism) aid6052.table aid6052.tbin
6053 4 Ability to antagonise the 5-HT- induced Von Bezold-Jarisch reflex in the rat after intravenous administration of 30 ug/kg of HT (5-hydroxytryptamine 3 receptor) aid6053.table aid6053.tbin
6054 10 Title: Zatosetron, a potent, selective, and long-acting 5HT3 receptor antagonist: synthesis and structure-activity relationships. Abstract: Antagonists of 5HT3 receptors are clinically effective in treating nausea and emesis associated with certain oncolytic drugs, including cisplatin. Moreover, these agents may be useful in pharmacological management of several central nervous system disorders, including anxiety, schizophrenia, dementia, and substance abuse. Our studies on aroyltropanamides led... aid6054.table aid6054.tbin
6055 10 Title: Zatosetron, a potent, selective, and long-acting 5HT3 receptor antagonist: synthesis and structure-activity relationships. Abstract: Antagonists of 5HT3 receptors are clinically effective in treating nausea and emesis associated with certain oncolytic drugs, including cisplatin. Moreover, these agents may be useful in pharmacological management of several central nervous system disorders, including anxiety, schizophrenia, dementia, and substance abuse. Our studies on aroyltropanamides led... aid6055.table aid6055.tbin
6056 10 Title: 5-HT3 receptor antagonists. 2. 4-Hydroxy-3-quinolinecarboxylic acid derivatives. Abstract: A series of 4-hydroxy-3-quinolinecarboxylic acid derivatives (6) and 4-hydroxy-2-oxo-1,2-dihydro-3-quinolinecarboxylic acid derivatives (7) were designed and synthesized as 5-HT3 receptor antagonists. Molecular modeling studies suggested that the 3-carbonyl moiety in 6 was almost coplanar to the plane of an aromatic ring, but in 7 there was a 30 degrees deviation. 4-Hydroxy substitution in quinoline... aid6056.table aid6056.tbin
6057 8 Inhibition of 5-HT (1 ug/mL) induced depolarization in rat vagus nerve (5-hydroxytryptamine 3 receptor antagonism) aid6057.table aid6057.tbin
6058 3 Title: Synthesis and pharmacology of isoquinuclidine derivatives as 5-HT(3) ligands. Abstract: A series of 4-amino-5-chloro-2-methoxybenzoates and benzamides containing the 5- and 6-isoquinuclidinyl system was synthesised and evaluated for binding to 5-HT(3), 5-HT(4) and D(2) receptors. In general, the isoquinuclidine derivatives at the 5-position have shown to be more potent as 5-HT(3) ligands but they also possess 5-HT(4) and D(2) properties. However, the results show that the derivatives at t... aid6058.table aid6058.tbin
6059 12 Title: Synthesis of N-(1-ethyl-4-methylhexahydro-1,4-diazepin-6-yl)nicotinamides and their affinities for 5-HT3 and dopamine D2 receptors. Abstract: A series of N-(1-ethyl-4-methylhexahydro-1,4-diazepin-6-yl)nicotinamide derivatives were prepared and evaluated for their binding to 5-HT3 and dopamine D2 receptors. Among them, the 5-bromo-2-methoxy-6-methylaminonicotinamide 16 and its (R)-isomer were found to have potent affinities for both receptors. The affinities of (R)-16 for 5-HT3 and dopamin... aid6059.table aid6059.tbin
6060 7 Binding affinity was evaluated in vitro by displacement of [3H]zacopride radioligand from 5-hydroxytryptamine 3 receptor aid6060.table aid6060.tbin
6061 1 Title: 5-HT3 antagonists derived from aminopyridazine-type muscarinic M1 agonists. Abstract: A conformational analysis, performed on muscarinic M1 agonists, identified four structural features characteristic of the muscarinic M1 pharmacophore: (i) a protonable basic or quaternary nitrogen acting as a cationic head; (ii) an electronegative dipole usually part of a planar mesomeric ester, amide, or amidine function which can be replaced by an ether (muscarine) or a dioxolane (AF 30); (iii) an inte... aid6061.table aid6061.tbin
6062 4 Title: 5-HT3 antagonists derived from aminopyridazine-type muscarinic M1 agonists. Abstract: A conformational analysis, performed on muscarinic M1 agonists, identified four structural features characteristic of the muscarinic M1 pharmacophore: (i) a protonable basic or quaternary nitrogen acting as a cationic head; (ii) an electronegative dipole usually part of a planar mesomeric ester, amide, or amidine function which can be replaced by an ether (muscarine) or a dioxolane (AF 30); (iii) an inte... aid6062.table aid6062.tbin
6063 22 Title: A novel series of N-(hexahydro-1,4-diazepin-6-yl) and N-(hexahydroazepin- 3-yl)benzamides with high affinity for 5-HT3 and dopamine D2 receptors. Abstract: A novel series of benzamides with a hexahydro-1,4-diazepine or hexahydroazepine ring in the amine moiety were prepared, and their binding affinities for 5-HT3 and dopamine D2 receptors were evaluated. The R isomer of the 1-ethyl-4-methylhexahydro-1,4-diazepinylbenzamide (R)-22 had potent affinity for both receptors. The R-enantiomer of... aid6063.table aid6063.tbin
6064 5 Compound was tested for its ability to displace [3H]-Q-ICS 205-930 from 5-hydroxytryptamine 3 receptor in rat cortex homogenates aid6064.table aid6064.tbin
6065 1 Title: Synthesis and structure-affinity relationships of novel N-(1-ethyl-4-methylhexahydro-1,4-diazepin-6-yl)pyridine-3-carboxamides with potent serotonin 5-HT3 and dopamine D2 receptor antagonistic activity. Abstract: A structurally original series of N-(1-ethyl-4-methylhexahydro-1,4-diazepin-6-yl)pyridine-3-carboxamides derived from the corresponding benzamide 5 were prepared and evaluated for their binding affinity for the dopamine D(2) and serotonin 5-HT(3) receptors using rat striatum and ... aid6065.table aid6065.tbin
6066 28 Title: Synthesis and structure-affinity relationships of novel N-(1-ethyl-4-methylhexahydro-1,4-diazepin-6-yl)pyridine-3-carboxamides with potent serotonin 5-HT3 and dopamine D2 receptor antagonistic activity. Abstract: A structurally original series of N-(1-ethyl-4-methylhexahydro-1,4-diazepin-6-yl)pyridine-3-carboxamides derived from the corresponding benzamide 5 were prepared and evaluated for their binding affinity for the dopamine D(2) and serotonin 5-HT(3) receptors using rat striatum and ... aid6066.table aid6066.tbin
6067 2 Title: Synthesis and structure-affinity relationships of novel N-(1-ethyl-4-methylhexahydro-1,4-diazepin-6-yl)pyridine-3-carboxamides with potent serotonin 5-HT3 and dopamine D2 receptor antagonistic activity. Abstract: A structurally original series of N-(1-ethyl-4-methylhexahydro-1,4-diazepin-6-yl)pyridine-3-carboxamides derived from the corresponding benzamide 5 were prepared and evaluated for their binding affinity for the dopamine D(2) and serotonin 5-HT(3) receptors using rat striatum and ... aid6067.table aid6067.tbin
6068 3 Title: [[(Arylpiperazinyl)alkyl]thio]thieno[2,3-d]pyrimidinone derivatives as high-affinity, selective 5-HT1A receptor ligands. Abstract: A series of 2-[[(4-aryl-1-piperazinyl)alkyl]thio]thieno[2,3-d]pyrimidin-4 (1H)-one and 3-substituted 2-[[(4-aryl-1-piperazinyl)alky]thio]thieno[2,3-d]pyrimidin-4 (3H)-one derivatives was prepared and evaluated for in vitro 5-HT1A receptor affinity by radioligand binding assays; the selectivity for 5-HT1A receptors rather than alpha 1-adrenoceptors was also exa... aid6068.table aid6068.tbin
6069 17 Title: Novel and highly potent 5-HT3 receptor agonists based on a pyrroloquinoxaline structure. Abstract: The synthesis and the biological evaluation of a series of novel pyrroloquinoxaline derivatives are described. In binding studies several compounds proved to be potent and selective 5-HT3 receptor ligands. The most active pyrroloquinoxalines, 11d and 11e, showed a subnanomolar affinity for 5-HT3 receptor and were able to functionally discriminate the central and peripheral 5-HT3 receptor, be... aid6069.table aid6069.tbin
6070 1 Title: Novel and highly potent 5-HT3 receptor agonists based on a pyrroloquinoxaline structure. Abstract: The synthesis and the biological evaluation of a series of novel pyrroloquinoxaline derivatives are described. In binding studies several compounds proved to be potent and selective 5-HT3 receptor ligands. The most active pyrroloquinoxalines, 11d and 11e, showed a subnanomolar affinity for 5-HT3 receptor and were able to functionally discriminate the central and peripheral 5-HT3 receptor, be... aid6070.table aid6070.tbin
6071 1 Title: Novel and highly potent 5-HT3 receptor agonists based on a pyrroloquinoxaline structure. Abstract: The synthesis and the biological evaluation of a series of novel pyrroloquinoxaline derivatives are described. In binding studies several compounds proved to be potent and selective 5-HT3 receptor ligands. The most active pyrroloquinoxalines, 11d and 11e, showed a subnanomolar affinity for 5-HT3 receptor and were able to functionally discriminate the central and peripheral 5-HT3 receptor, be... aid6071.table aid6071.tbin
6072 1 Title: Novel and highly potent 5-HT3 receptor agonists based on a pyrroloquinoxaline structure. Abstract: The synthesis and the biological evaluation of a series of novel pyrroloquinoxaline derivatives are described. In binding studies several compounds proved to be potent and selective 5-HT3 receptor ligands. The most active pyrroloquinoxalines, 11d and 11e, showed a subnanomolar affinity for 5-HT3 receptor and were able to functionally discriminate the central and peripheral 5-HT3 receptor, be... aid6072.table aid6072.tbin
6073 37 Title: 2,3-Dihydro-2-oxo-1H-benzimidazole-1-carboxamides with selective affinity for the 5-HT(4) receptor: synthesis and structure-affinity and structure-activity relationships of a new series of partial agonist and antagonist derivatives. Abstract: A series of 2,3-dihydro-2-oxo-1H-benzimidazole-1-carboxamide derivatives bearing a piperazine moiety was synthesized. Their in vitro 5-HT(4), 5-HT(3), and D(2) receptors affinities were evaluated by radioligand binding assay. For selected compounds f... aid6073.table aid6073.tbin
6074 1 Tested for inhibition of binding of [3H]GR-65630 to rat cortical membranes, expressed as IC50 aid6074.table aid6074.tbin
6075 12 Inhibition of [3H]GR-65630 binding to rat cortical membrane serotonin 3 receptor aid6075.table aid6075.tbin
6076 1 Title: Synthesis and pharmacological testing of 1,2,3,4,10,14b-hexahydro-6-methoxy-2-methyldibenzo[c,f]pyrazino[1,2-a]azepin and its enantiomers in comparison with the two antidepressants mianserin and mirtazapine. Abstract: The synthesis and resolution of 1,2,3,4,10,14b-hexahydro-6-methoxy-2-methyldibenzo[c,f]pyrazino[1,2-a]azepin (6-methoxymianserin, 6) are described. Furthermore, the in vitro and in vivo effects of 6 and its enantiomers are presented. 6 displayed high affinity for the 5-HT2A/... aid6076.table aid6076.tbin
6077 12 Title: Synthesis of 2-piperazinylbenzothiazole and 2-piperazinylbenzoxazole derivatives with 5-HT3 antagonist and 5-HT4 agonist properties. Abstract: New 2-piperazinylbenzothiazole and 2-piperazinylbenzoxazole derivatives were prepared and tested as 5-HT3 receptor antagonists. Some of the new compounds antagonized the effect of 5-HT at the longitudinal muscle myenteric plexus (LMMP) preparation of the guinea pig ileum, and two benzothiazole derivatives, compounds 2e and 2f, were more potent than... aid6077.table aid6077.tbin
6078 1 Title: Pyrroloquinoxaline derivatives as high-affinity and selective 5-HT(3) receptor agonists: synthesis, further structure-activity relationships, and biological studies. Abstract: The synthesis, pharmacological evaluation, and structure-activity relationships (SARs) of a series of novel pyrroloquinoxalines and heteroaromatic-related derivatives are described. The new pyrroloquinoxaline-related ligands were tested in rat cortex, a tissue expressing high density of 5-HT(3) receptors, and on NG1... aid6078.table aid6078.tbin
6079 3 Title: Pyrroloquinoxaline derivatives as high-affinity and selective 5-HT(3) receptor agonists: synthesis, further structure-activity relationships, and biological studies. Abstract: The synthesis, pharmacological evaluation, and structure-activity relationships (SARs) of a series of novel pyrroloquinoxalines and heteroaromatic-related derivatives are described. The new pyrroloquinoxaline-related ligands were tested in rat cortex, a tissue expressing high density of 5-HT(3) receptors, and on NG1... aid6079.table aid6079.tbin
6080 43 Title: Pyrroloquinoxaline derivatives as high-affinity and selective 5-HT(3) receptor agonists: synthesis, further structure-activity relationships, and biological studies. Abstract: The synthesis, pharmacological evaluation, and structure-activity relationships (SARs) of a series of novel pyrroloquinoxalines and heteroaromatic-related derivatives are described. The new pyrroloquinoxaline-related ligands were tested in rat cortex, a tissue expressing high density of 5-HT(3) receptors, and on NG1... aid6080.table aid6080.tbin
6081 1 Title: Pyrroloquinoxaline derivatives as high-affinity and selective 5-HT(3) receptor agonists: synthesis, further structure-activity relationships, and biological studies. Abstract: The synthesis, pharmacological evaluation, and structure-activity relationships (SARs) of a series of novel pyrroloquinoxalines and heteroaromatic-related derivatives are described. The new pyrroloquinoxaline-related ligands were tested in rat cortex, a tissue expressing high density of 5-HT(3) receptors, and on NG1... aid6081.table aid6081.tbin
6082 1 Title: Pyrroloquinoxaline derivatives as high-affinity and selective 5-HT(3) receptor agonists: synthesis, further structure-activity relationships, and biological studies. Abstract: The synthesis, pharmacological evaluation, and structure-activity relationships (SARs) of a series of novel pyrroloquinoxalines and heteroaromatic-related derivatives are described. The new pyrroloquinoxaline-related ligands were tested in rat cortex, a tissue expressing high density of 5-HT(3) receptors, and on NG1... aid6082.table aid6082.tbin
6083 1 Title: Pyrroloquinoxaline derivatives as high-affinity and selective 5-HT(3) receptor agonists: synthesis, further structure-activity relationships, and biological studies. Abstract: The synthesis, pharmacological evaluation, and structure-activity relationships (SARs) of a series of novel pyrroloquinoxalines and heteroaromatic-related derivatives are described. The new pyrroloquinoxaline-related ligands were tested in rat cortex, a tissue expressing high density of 5-HT(3) receptors, and on NG1... aid6083.table aid6083.tbin
6084 24 Title: 5-Hydroxytryptamine (5-HT3) receptor antagonists. 2. 1-Indolinecarboxamides. Abstract: Indazole 1 has previously been shown to be a potent and selective 5-HT3 receptor antagonist. A novel series of potent 5-HT3 receptor antagonists, 1-indolinecarboxamides 2a-q and 1-indolecarboxamides 3b,i,j,k, is described. The activity of the indolines suggests that aromaticity of the 5-membered ring is not an essential requirement for potency provided that an &quot;in plane&quot; orientation of the car... aid6084.table aid6084.tbin
6085 15 Title: Benzotriazinones as &quot;virtual ring&quot; mimics of o-methoxybenzamides: novel and potent 5-HT3 receptor antagonists. aid6085.table aid6085.tbin
6086 1 Compound was tested as a 5-hydroxytryptamine 3 receptor antagonist in the rat by assessment of the inhibition of the Bezold-Jarisch effect, when administered intravenously aid6086.table aid6086.tbin
6087 28 Title: 5-Hydroxytryptamine (5-HT3) receptor antagonists. 3. Ortho-substituted phenylureas. Abstract: A novel series of potent 5-HT3 receptor antagonists, ortho-substituted phenylureas 6a-z, is described in which the 5-membered ring of the previously reported indazoles and indolines has been replaced by an intramolecular hydrogen bond. High potency was found both for carbamate 6a and urea 6b. Granatane 6c was less potent than the equivalent tropane. Phenylurea 11c lacking the ortho substituent wa... aid6087.table aid6087.tbin
6088 2 Title: Synthesis of 2-piperazinylbenzothiazole and 2-piperazinylbenzoxazole derivatives with 5-HT3 antagonist and 5-HT4 agonist properties. Abstract: New 2-piperazinylbenzothiazole and 2-piperazinylbenzoxazole derivatives were prepared and tested as 5-HT3 receptor antagonists. Some of the new compounds antagonized the effect of 5-HT at the longitudinal muscle myenteric plexus (LMMP) preparation of the guinea pig ileum, and two benzothiazole derivatives, compounds 2e and 2f, were more potent than... aid6088.table aid6088.tbin
6089 22 Title: 5-Hydroxytryptamine (5-HT3) receptor antagonists. 1. Indazole and indolizine-3-carboxylic acid derivatives. Abstract: Metoclopramide (1) is a gastric motility stimulant and a weak dopamine and 5-HT3 receptor antagonist. Conformational restriction of the (diethylamino)ethyl side chain of 1 in the form of the azabicyclic tropane gave 3, a very potent gastric motility stimulant and 5-HT3 receptor antagonist but devoid of significant dopamine receptor antagonist properties. Subsequent alterat... aid6089.table aid6089.tbin
6090 1 Title: Zatosetron, a potent, selective, and long-acting 5HT3 receptor antagonist: synthesis and structure-activity relationships. Abstract: Antagonists of 5HT3 receptors are clinically effective in treating nausea and emesis associated with certain oncolytic drugs, including cisplatin. Moreover, these agents may be useful in pharmacological management of several central nervous system disorders, including anxiety, schizophrenia, dementia, and substance abuse. Our studies on aroyltropanamides led... aid6090.table aid6090.tbin
6091 1 Title: Zatosetron, a potent, selective, and long-acting 5HT3 receptor antagonist: synthesis and structure-activity relationships. Abstract: Antagonists of 5HT3 receptors are clinically effective in treating nausea and emesis associated with certain oncolytic drugs, including cisplatin. Moreover, these agents may be useful in pharmacological management of several central nervous system disorders, including anxiety, schizophrenia, dementia, and substance abuse. Our studies on aroyltropanamides led... aid6091.table aid6091.tbin
6092 32 Title: Zatosetron, a potent, selective, and long-acting 5HT3 receptor antagonist: synthesis and structure-activity relationships. Abstract: Antagonists of 5HT3 receptors are clinically effective in treating nausea and emesis associated with certain oncolytic drugs, including cisplatin. Moreover, these agents may be useful in pharmacological management of several central nervous system disorders, including anxiety, schizophrenia, dementia, and substance abuse. Our studies on aroyltropanamides led... aid6092.table aid6092.tbin
6093 11 Title: Zatosetron, a potent, selective, and long-acting 5HT3 receptor antagonist: synthesis and structure-activity relationships. Abstract: Antagonists of 5HT3 receptors are clinically effective in treating nausea and emesis associated with certain oncolytic drugs, including cisplatin. Moreover, these agents may be useful in pharmacological management of several central nervous system disorders, including anxiety, schizophrenia, dementia, and substance abuse. Our studies on aroyltropanamides led... aid6093.table aid6093.tbin
6094 4 Title: Zatosetron, a potent, selective, and long-acting 5HT3 receptor antagonist: synthesis and structure-activity relationships. Abstract: Antagonists of 5HT3 receptors are clinically effective in treating nausea and emesis associated with certain oncolytic drugs, including cisplatin. Moreover, these agents may be useful in pharmacological management of several central nervous system disorders, including anxiety, schizophrenia, dementia, and substance abuse. Our studies on aroyltropanamides led... aid6094.table aid6094.tbin
6095 1 Title: Zatosetron, a potent, selective, and long-acting 5HT3 receptor antagonist: synthesis and structure-activity relationships. Abstract: Antagonists of 5HT3 receptors are clinically effective in treating nausea and emesis associated with certain oncolytic drugs, including cisplatin. Moreover, these agents may be useful in pharmacological management of several central nervous system disorders, including anxiety, schizophrenia, dementia, and substance abuse. Our studies on aroyltropanamides led... aid6095.table aid6095.tbin
6096 12 Title: Zatosetron, a potent, selective, and long-acting 5HT3 receptor antagonist: synthesis and structure-activity relationships. Abstract: Antagonists of 5HT3 receptors are clinically effective in treating nausea and emesis associated with certain oncolytic drugs, including cisplatin. Moreover, these agents may be useful in pharmacological management of several central nervous system disorders, including anxiety, schizophrenia, dementia, and substance abuse. Our studies on aroyltropanamides led... aid6096.table aid6096.tbin
6097 1 Title: Zatosetron, a potent, selective, and long-acting 5HT3 receptor antagonist: synthesis and structure-activity relationships. Abstract: Antagonists of 5HT3 receptors are clinically effective in treating nausea and emesis associated with certain oncolytic drugs, including cisplatin. Moreover, these agents may be useful in pharmacological management of several central nervous system disorders, including anxiety, schizophrenia, dementia, and substance abuse. Our studies on aroyltropanamides led... aid6097.table aid6097.tbin
6098 3 Title: Zatosetron, a potent, selective, and long-acting 5HT3 receptor antagonist: synthesis and structure-activity relationships. Abstract: Antagonists of 5HT3 receptors are clinically effective in treating nausea and emesis associated with certain oncolytic drugs, including cisplatin. Moreover, these agents may be useful in pharmacological management of several central nervous system disorders, including anxiety, schizophrenia, dementia, and substance abuse. Our studies on aroyltropanamides led... aid6098.table aid6098.tbin
6099 3 Title: Zatosetron, a potent, selective, and long-acting 5HT3 receptor antagonist: synthesis and structure-activity relationships. Abstract: Antagonists of 5HT3 receptors are clinically effective in treating nausea and emesis associated with certain oncolytic drugs, including cisplatin. Moreover, these agents may be useful in pharmacological management of several central nervous system disorders, including anxiety, schizophrenia, dementia, and substance abuse. Our studies on aroyltropanamides led... aid6099.table aid6099.tbin
6100 2 Title: Zatosetron, a potent, selective, and long-acting 5HT3 receptor antagonist: synthesis and structure-activity relationships. Abstract: Antagonists of 5HT3 receptors are clinically effective in treating nausea and emesis associated with certain oncolytic drugs, including cisplatin. Moreover, these agents may be useful in pharmacological management of several central nervous system disorders, including anxiety, schizophrenia, dementia, and substance abuse. Our studies on aroyltropanamides led... aid6100.table aid6100.tbin
6101 3 Title: Zatosetron, a potent, selective, and long-acting 5HT3 receptor antagonist: synthesis and structure-activity relationships. Abstract: Antagonists of 5HT3 receptors are clinically effective in treating nausea and emesis associated with certain oncolytic drugs, including cisplatin. Moreover, these agents may be useful in pharmacological management of several central nervous system disorders, including anxiety, schizophrenia, dementia, and substance abuse. Our studies on aroyltropanamides led... aid6101.table aid6101.tbin
6102 1 Title: Zatosetron, a potent, selective, and long-acting 5HT3 receptor antagonist: synthesis and structure-activity relationships. Abstract: Antagonists of 5HT3 receptors are clinically effective in treating nausea and emesis associated with certain oncolytic drugs, including cisplatin. Moreover, these agents may be useful in pharmacological management of several central nervous system disorders, including anxiety, schizophrenia, dementia, and substance abuse. Our studies on aroyltropanamides led... aid6102.table aid6102.tbin
6103 2 Title: Zatosetron, a potent, selective, and long-acting 5HT3 receptor antagonist: synthesis and structure-activity relationships. Abstract: Antagonists of 5HT3 receptors are clinically effective in treating nausea and emesis associated with certain oncolytic drugs, including cisplatin. Moreover, these agents may be useful in pharmacological management of several central nervous system disorders, including anxiety, schizophrenia, dementia, and substance abuse. Our studies on aroyltropanamides led... aid6103.table aid6103.tbin
6104 3 Title: Zatosetron, a potent, selective, and long-acting 5HT3 receptor antagonist: synthesis and structure-activity relationships. Abstract: Antagonists of 5HT3 receptors are clinically effective in treating nausea and emesis associated with certain oncolytic drugs, including cisplatin. Moreover, these agents may be useful in pharmacological management of several central nervous system disorders, including anxiety, schizophrenia, dementia, and substance abuse. Our studies on aroyltropanamides led... aid6104.table aid6104.tbin
6105 5 Title: Zatosetron, a potent, selective, and long-acting 5HT3 receptor antagonist: synthesis and structure-activity relationships. Abstract: Antagonists of 5HT3 receptors are clinically effective in treating nausea and emesis associated with certain oncolytic drugs, including cisplatin. Moreover, these agents may be useful in pharmacological management of several central nervous system disorders, including anxiety, schizophrenia, dementia, and substance abuse. Our studies on aroyltropanamides led... aid6105.table aid6105.tbin
6106 1 Title: Zatosetron, a potent, selective, and long-acting 5HT3 receptor antagonist: synthesis and structure-activity relationships. Abstract: Antagonists of 5HT3 receptors are clinically effective in treating nausea and emesis associated with certain oncolytic drugs, including cisplatin. Moreover, these agents may be useful in pharmacological management of several central nervous system disorders, including anxiety, schizophrenia, dementia, and substance abuse. Our studies on aroyltropanamides led... aid6106.table aid6106.tbin
6107 1 Title: Zatosetron, a potent, selective, and long-acting 5HT3 receptor antagonist: synthesis and structure-activity relationships. Abstract: Antagonists of 5HT3 receptors are clinically effective in treating nausea and emesis associated with certain oncolytic drugs, including cisplatin. Moreover, these agents may be useful in pharmacological management of several central nervous system disorders, including anxiety, schizophrenia, dementia, and substance abuse. Our studies on aroyltropanamides led... aid6107.table aid6107.tbin
6108 1 Title: Zatosetron, a potent, selective, and long-acting 5HT3 receptor antagonist: synthesis and structure-activity relationships. Abstract: Antagonists of 5HT3 receptors are clinically effective in treating nausea and emesis associated with certain oncolytic drugs, including cisplatin. Moreover, these agents may be useful in pharmacological management of several central nervous system disorders, including anxiety, schizophrenia, dementia, and substance abuse. Our studies on aroyltropanamides led... aid6108.table aid6108.tbin
6109 1 Title: Zatosetron, a potent, selective, and long-acting 5HT3 receptor antagonist: synthesis and structure-activity relationships. Abstract: Antagonists of 5HT3 receptors are clinically effective in treating nausea and emesis associated with certain oncolytic drugs, including cisplatin. Moreover, these agents may be useful in pharmacological management of several central nervous system disorders, including anxiety, schizophrenia, dementia, and substance abuse. Our studies on aroyltropanamides led... aid6109.table aid6109.tbin
6110 1 Title: Zatosetron, a potent, selective, and long-acting 5HT3 receptor antagonist: synthesis and structure-activity relationships. Abstract: Antagonists of 5HT3 receptors are clinically effective in treating nausea and emesis associated with certain oncolytic drugs, including cisplatin. Moreover, these agents may be useful in pharmacological management of several central nervous system disorders, including anxiety, schizophrenia, dementia, and substance abuse. Our studies on aroyltropanamides led... aid6110.table aid6110.tbin
6111 1 Title: Zatosetron, a potent, selective, and long-acting 5HT3 receptor antagonist: synthesis and structure-activity relationships. Abstract: Antagonists of 5HT3 receptors are clinically effective in treating nausea and emesis associated with certain oncolytic drugs, including cisplatin. Moreover, these agents may be useful in pharmacological management of several central nervous system disorders, including anxiety, schizophrenia, dementia, and substance abuse. Our studies on aroyltropanamides led... aid6111.table aid6111.tbin
6112 4 Title: Zatosetron, a potent, selective, and long-acting 5HT3 receptor antagonist: synthesis and structure-activity relationships. Abstract: Antagonists of 5HT3 receptors are clinically effective in treating nausea and emesis associated with certain oncolytic drugs, including cisplatin. Moreover, these agents may be useful in pharmacological management of several central nervous system disorders, including anxiety, schizophrenia, dementia, and substance abuse. Our studies on aroyltropanamides led... aid6112.table aid6112.tbin
6113 3 Title: Zatosetron, a potent, selective, and long-acting 5HT3 receptor antagonist: synthesis and structure-activity relationships. Abstract: Antagonists of 5HT3 receptors are clinically effective in treating nausea and emesis associated with certain oncolytic drugs, including cisplatin. Moreover, these agents may be useful in pharmacological management of several central nervous system disorders, including anxiety, schizophrenia, dementia, and substance abuse. Our studies on aroyltropanamides led... aid6113.table aid6113.tbin
6114 4 Title: Zatosetron, a potent, selective, and long-acting 5HT3 receptor antagonist: synthesis and structure-activity relationships. Abstract: Antagonists of 5HT3 receptors are clinically effective in treating nausea and emesis associated with certain oncolytic drugs, including cisplatin. Moreover, these agents may be useful in pharmacological management of several central nervous system disorders, including anxiety, schizophrenia, dementia, and substance abuse. Our studies on aroyltropanamides led... aid6114.table aid6114.tbin
6115 1 Title: Zatosetron, a potent, selective, and long-acting 5HT3 receptor antagonist: synthesis and structure-activity relationships. Abstract: Antagonists of 5HT3 receptors are clinically effective in treating nausea and emesis associated with certain oncolytic drugs, including cisplatin. Moreover, these agents may be useful in pharmacological management of several central nervous system disorders, including anxiety, schizophrenia, dementia, and substance abuse. Our studies on aroyltropanamides led... aid6115.table aid6115.tbin
6116 1 Title: Zatosetron, a potent, selective, and long-acting 5HT3 receptor antagonist: synthesis and structure-activity relationships. Abstract: Antagonists of 5HT3 receptors are clinically effective in treating nausea and emesis associated with certain oncolytic drugs, including cisplatin. Moreover, these agents may be useful in pharmacological management of several central nervous system disorders, including anxiety, schizophrenia, dementia, and substance abuse. Our studies on aroyltropanamides led... aid6116.table aid6116.tbin
6117 4 Title: Zatosetron, a potent, selective, and long-acting 5HT3 receptor antagonist: synthesis and structure-activity relationships. Abstract: Antagonists of 5HT3 receptors are clinically effective in treating nausea and emesis associated with certain oncolytic drugs, including cisplatin. Moreover, these agents may be useful in pharmacological management of several central nervous system disorders, including anxiety, schizophrenia, dementia, and substance abuse. Our studies on aroyltropanamides led... aid6117.table aid6117.tbin
6118 5 Title: Zatosetron, a potent, selective, and long-acting 5HT3 receptor antagonist: synthesis and structure-activity relationships. Abstract: Antagonists of 5HT3 receptors are clinically effective in treating nausea and emesis associated with certain oncolytic drugs, including cisplatin. Moreover, these agents may be useful in pharmacological management of several central nervous system disorders, including anxiety, schizophrenia, dementia, and substance abuse. Our studies on aroyltropanamides led... aid6118.table aid6118.tbin
6119 4 In vivo 5-hydroxytryptamine 3 receptor antagonist activity by antagonism of the von Bezold-Jarisch (B-J) reflex in anesthetized rats, (i.v.) aid6119.table aid6119.tbin
6120 2 In vivo 5-hydroxytryptamine 3 receptor antagonist activity by antagonism of the von Bezold-Jarisch (B-J) reflex in anesthetized rats, (i.v.); Not tested aid6120.table aid6120.tbin
6121 2 Title: Thiazole as a carbonyl bioisostere. A novel class of highly potent and selective 5-HT3 receptor antagonists. Abstract: A novel structural class of highly potent and selective 5-HT3 receptor antagonists is described. The compounds in this new series contain a thiazole moiety linking an aromatic group and a nitrogen-containing basic region; the thiazole group appears to be acting as a carbonyl bioisostere in this system. An optimized member of this series, 4-(2-methoxyphenyl)-2-[[4(5)-methy... aid6121.table aid6121.tbin
6122 3 Title: Thiazole as a carbonyl bioisostere. A novel class of highly potent and selective 5-HT3 receptor antagonists. Abstract: A novel structural class of highly potent and selective 5-HT3 receptor antagonists is described. The compounds in this new series contain a thiazole moiety linking an aromatic group and a nitrogen-containing basic region; the thiazole group appears to be acting as a carbonyl bioisostere in this system. An optimized member of this series, 4-(2-methoxyphenyl)-2-[[4(5)-methy... aid6122.table aid6122.tbin
6123 5 Title: Thiazole as a carbonyl bioisostere. A novel class of highly potent and selective 5-HT3 receptor antagonists. Abstract: A novel structural class of highly potent and selective 5-HT3 receptor antagonists is described. The compounds in this new series contain a thiazole moiety linking an aromatic group and a nitrogen-containing basic region; the thiazole group appears to be acting as a carbonyl bioisostere in this system. An optimized member of this series, 4-(2-methoxyphenyl)-2-[[4(5)-methy... aid6123.table aid6123.tbin
6124 2 Title: Thiazole as a carbonyl bioisostere. A novel class of highly potent and selective 5-HT3 receptor antagonists. Abstract: A novel structural class of highly potent and selective 5-HT3 receptor antagonists is described. The compounds in this new series contain a thiazole moiety linking an aromatic group and a nitrogen-containing basic region; the thiazole group appears to be acting as a carbonyl bioisostere in this system. An optimized member of this series, 4-(2-methoxyphenyl)-2-[[4(5)-methy... aid6124.table aid6124.tbin
6125 2 Title: Thiazole as a carbonyl bioisostere. A novel class of highly potent and selective 5-HT3 receptor antagonists. Abstract: A novel structural class of highly potent and selective 5-HT3 receptor antagonists is described. The compounds in this new series contain a thiazole moiety linking an aromatic group and a nitrogen-containing basic region; the thiazole group appears to be acting as a carbonyl bioisostere in this system. An optimized member of this series, 4-(2-methoxyphenyl)-2-[[4(5)-methy... aid6125.table aid6125.tbin
6126 5 Title: An initial three-component pharmacophore for specific serotonin-3 receptor ligands. Abstract: With computer modeling, an initial three-component pharmacophore for specific 5-HT3 receptor ligands ICS-205-930 (1), ondansetron (2), zacopride (3), and 3-[2-(guanidinylmethyl)-4-thiazolyl]indol (4) has been identified. Two parts represent electrostatic interactions, one as a hydrogen-bond-donating interaction and the other as a hydrogen-bond-accepting interaction. The third part is represented ... aid6126.table aid6126.tbin
6127 2 Title: Novel potent and selective central 5-HT3 receptor ligands provided with different intrinsic efficacy. 2. Molecular basis of the intrinsic efficacy of arylpiperazine derivatives at the central 5-HT3 receptors. Abstract: Novel 5-HT3 receptor ligands were designed and synthesized with the aim of obtaining deeper insight into the molecular basis of the intrinsic efficacy of arylpiperazines interacting with the central 5-HT3 receptor. The newly synthesized compounds and some previously publish... aid6127.table aid6127.tbin
6128 3 Title: Novel potent and selective central 5-HT3 receptor ligands provided with different intrinsic efficacy. 2. Molecular basis of the intrinsic efficacy of arylpiperazine derivatives at the central 5-HT3 receptors. Abstract: Novel 5-HT3 receptor ligands were designed and synthesized with the aim of obtaining deeper insight into the molecular basis of the intrinsic efficacy of arylpiperazines interacting with the central 5-HT3 receptor. The newly synthesized compounds and some previously publish... aid6128.table aid6128.tbin
6129 10 Title: Novel potent and selective central 5-HT3 receptor ligands provided with different intrinsic efficacy. 2. Molecular basis of the intrinsic efficacy of arylpiperazine derivatives at the central 5-HT3 receptors. Abstract: Novel 5-HT3 receptor ligands were designed and synthesized with the aim of obtaining deeper insight into the molecular basis of the intrinsic efficacy of arylpiperazines interacting with the central 5-HT3 receptor. The newly synthesized compounds and some previously publish... aid6129.table aid6129.tbin
6130 3 Title: Novel potent and selective central 5-HT3 receptor ligands provided with different intrinsic efficacy. 2. Molecular basis of the intrinsic efficacy of arylpiperazine derivatives at the central 5-HT3 receptors. Abstract: Novel 5-HT3 receptor ligands were designed and synthesized with the aim of obtaining deeper insight into the molecular basis of the intrinsic efficacy of arylpiperazines interacting with the central 5-HT3 receptor. The newly synthesized compounds and some previously publish... aid6130.table aid6130.tbin
6131 28 Title: Novel potent and selective central 5-HT3 receptor ligands provided with different intrinsic efficacy. 2. Molecular basis of the intrinsic efficacy of arylpiperazine derivatives at the central 5-HT3 receptors. Abstract: Novel 5-HT3 receptor ligands were designed and synthesized with the aim of obtaining deeper insight into the molecular basis of the intrinsic efficacy of arylpiperazines interacting with the central 5-HT3 receptor. The newly synthesized compounds and some previously publish... aid6131.table aid6131.tbin
6132 14 Title: Novel potent and selective central 5-HT3 receptor ligands provided with different intrinsic efficacy. 2. Molecular basis of the intrinsic efficacy of arylpiperazine derivatives at the central 5-HT3 receptors. Abstract: Novel 5-HT3 receptor ligands were designed and synthesized with the aim of obtaining deeper insight into the molecular basis of the intrinsic efficacy of arylpiperazines interacting with the central 5-HT3 receptor. The newly synthesized compounds and some previously publish... aid6132.table aid6132.tbin
6133 11 Title: Synthesis and structure-affinity relationships of novel N-(1-ethyl-4-methylhexahydro-1,4-diazepin-6-yl)pyridine-3-carboxamides with potent serotonin 5-HT3 and dopamine D2 receptor antagonistic activity. Abstract: A structurally original series of N-(1-ethyl-4-methylhexahydro-1,4-diazepin-6-yl)pyridine-3-carboxamides derived from the corresponding benzamide 5 were prepared and evaluated for their binding affinity for the dopamine D(2) and serotonin 5-HT(3) receptors using rat striatum and ... aid6133.table aid6133.tbin
6134 6 Title: Binding of 5H-dibenzo[b,e][1,4]diazepine and chiral 5H-dibenzo[a,d]cycloheptene analogues of clozapine to dopamine and serotonin receptors. Abstract: 5H-Dibenzo[b,e][1,4]diazepine, dibenz[b,f]oxepin, and 5H-dibenzo[a,d]cycloheptene analogues of clozapine [8-chloro-11-(4-methylpiperazino)-5H- dibenzo[b,e][1,4]diazepine] were evaluated for their binding affinity to dopamine D-1, D-2, and D-4 and serotonin S-2A (5-HT2A), S-2C (5-HT2C) and S-3 (5-HT3) receptors. The diazepine analogues displa... aid6134.table aid6134.tbin
6135 10 Title: Binding of 5H-dibenzo[b,e][1,4]diazepine and chiral 5H-dibenzo[a,d]cycloheptene analogues of clozapine to dopamine and serotonin receptors. Abstract: 5H-Dibenzo[b,e][1,4]diazepine, dibenz[b,f]oxepin, and 5H-dibenzo[a,d]cycloheptene analogues of clozapine [8-chloro-11-(4-methylpiperazino)-5H- dibenzo[b,e][1,4]diazepine] were evaluated for their binding affinity to dopamine D-1, D-2, and D-4 and serotonin S-2A (5-HT2A), S-2C (5-HT2C) and S-3 (5-HT3) receptors. The diazepine analogues displa... aid6135.table aid6135.tbin
6136 22 Title: 5-HT3 receptor antagonists. 2. 4-Hydroxy-3-quinolinecarboxylic acid derivatives. Abstract: A series of 4-hydroxy-3-quinolinecarboxylic acid derivatives (6) and 4-hydroxy-2-oxo-1,2-dihydro-3-quinolinecarboxylic acid derivatives (7) were designed and synthesized as 5-HT3 receptor antagonists. Molecular modeling studies suggested that the 3-carbonyl moiety in 6 was almost coplanar to the plane of an aromatic ring, but in 7 there was a 30 degrees deviation. 4-Hydroxy substitution in quinoline... aid6136.table aid6136.tbin
6137 2 Title: Benzoxazole derivatives as novel 5-HT3 receptor partial agonists in the gut. Abstract: A series of benzoxazoles with a nitrogen-containing heterocyclic substituent at the 2-position was prepared and evaluated for 5-HT3 partial agonist activity on isolated guinea pig ileum. The nature of the substituent at the 5-position of the benzoxazole ring affected the potency for the 5-HT3 receptor, and the 5-chloro derivatives showed increased potency and lowered intrinsic activity. 5-Chloro-7-methy... aid6137.table aid6137.tbin
6138 8 Binding affinity to 5-hydroxytryptamine 3 receptor in rat entorhinal cortex using [3H]-BRL 43694 as radioligand aid6138.table aid6138.tbin
6139 3 Title: Synthesis and pharmacology of isoquinuclidine derivatives as 5-HT(3) ligands. Abstract: A series of 4-amino-5-chloro-2-methoxybenzoates and benzamides containing the 5- and 6-isoquinuclidinyl system was synthesised and evaluated for binding to 5-HT(3), 5-HT(4) and D(2) receptors. In general, the isoquinuclidine derivatives at the 5-position have shown to be more potent as 5-HT(3) ligands but they also possess 5-HT(4) and D(2) properties. However, the results show that the derivatives at t... aid6139.table aid6139.tbin
6140 10 5-hydroxytryptamine 4 receptor agonist activity as increased response to electrical stimulation in guinea pig ileum aid6140.table aid6140.tbin
6141 1 5-hydroxytryptamine 4 receptor agonist activity expressed as the concentration which gave a 50% increase in the response to the electrical stimulation in male guinea pig ileum; Not tested aid6141.table aid6141.tbin
6142 29 Title: New esters of 4-amino-5-chloro-2-methoxybenzoic acid as potent agonists and antagonists for 5-HT4 receptors. Abstract: A number of benzoates derived from 4-amino-5-chloro-2-methoxybenzoic acid and substituted 1-piperidineethanol were synthesized and found to be potent 5-HT4 receptor agonists in the electrically-stimulated myenteric plexus and longitudinal muscle of the guinea pig ileum and the rat esophagus muscle. Monosubstitution of the piperidine ring with Me, OH, NH-Ac, or CONH2 group... aid6142.table aid6142.tbin
6143 7 Title: New esters of 4-amino-5-chloro-2-methoxybenzoic acid as potent agonists and antagonists for 5-HT4 receptors. Abstract: A number of benzoates derived from 4-amino-5-chloro-2-methoxybenzoic acid and substituted 1-piperidineethanol were synthesized and found to be potent 5-HT4 receptor agonists in the electrically-stimulated myenteric plexus and longitudinal muscle of the guinea pig ileum and the rat esophagus muscle. Monosubstitution of the piperidine ring with Me, OH, NH-Ac, or CONH2 group... aid6143.table aid6143.tbin
6144 2 Title: New esters of 4-amino-5-chloro-2-methoxybenzoic acid as potent agonists and antagonists for 5-HT4 receptors. Abstract: A number of benzoates derived from 4-amino-5-chloro-2-methoxybenzoic acid and substituted 1-piperidineethanol were synthesized and found to be potent 5-HT4 receptor agonists in the electrically-stimulated myenteric plexus and longitudinal muscle of the guinea pig ileum and the rat esophagus muscle. Monosubstitution of the piperidine ring with Me, OH, NH-Ac, or CONH2 group... aid6144.table aid6144.tbin
6145 1 Title: New esters of 4-amino-5-chloro-2-methoxybenzoic acid as potent agonists and antagonists for 5-HT4 receptors. Abstract: A number of benzoates derived from 4-amino-5-chloro-2-methoxybenzoic acid and substituted 1-piperidineethanol were synthesized and found to be potent 5-HT4 receptor agonists in the electrically-stimulated myenteric plexus and longitudinal muscle of the guinea pig ileum and the rat esophagus muscle. Monosubstitution of the piperidine ring with Me, OH, NH-Ac, or CONH2 group... aid6145.table aid6145.tbin
6146 1 Title: New esters of 4-amino-5-chloro-2-methoxybenzoic acid as potent agonists and antagonists for 5-HT4 receptors. Abstract: A number of benzoates derived from 4-amino-5-chloro-2-methoxybenzoic acid and substituted 1-piperidineethanol were synthesized and found to be potent 5-HT4 receptor agonists in the electrically-stimulated myenteric plexus and longitudinal muscle of the guinea pig ileum and the rat esophagus muscle. Monosubstitution of the piperidine ring with Me, OH, NH-Ac, or CONH2 group... aid6146.table aid6146.tbin
6147 3 Title: Arylcarbamate derivatives of 1-piperidineethanol as potent ligands for 5-HT4 receptors. Abstract: A series of carbamate derivatives (7) of 2-(1-piperidinyl)ethyl 4-amino-5-chloro-2-methoxybenzoates, which have been described as potent agonists and antagonists of 5-HT4 receptors, were synthesized. They were evaluated using radioligand binding assays with [3H]GR 113808, a 5-HT4 receptor selective ligand, in the rat striatum and the electrically stimulated myenteric plexus longitudinal muscl... aid6147.table aid6147.tbin
6148 3 Title: Arylcarbamate derivatives of 1-piperidineethanol as potent ligands for 5-HT4 receptors. Abstract: A series of carbamate derivatives (7) of 2-(1-piperidinyl)ethyl 4-amino-5-chloro-2-methoxybenzoates, which have been described as potent agonists and antagonists of 5-HT4 receptors, were synthesized. They were evaluated using radioligand binding assays with [3H]GR 113808, a 5-HT4 receptor selective ligand, in the rat striatum and the electrically stimulated myenteric plexus longitudinal muscl... aid6148.table aid6148.tbin
6149 3 5-hydroxytryptamine 4 receptor antagonist activity expressed as the concentration which produced a 50% reduction of 5-HT induced contraction in guinea pig ileum aid6149.table aid6149.tbin
6150 6 5-hydroxytryptamine 4 receptor antagonist activity expressed as the concentration which produced a 50% reduction of 5-HT induced contraction in guinea pig ileum; Not evaluable aid6150.table aid6150.tbin
6151 1 5-hydroxytryptamine 4 receptor antagonist activity expressed as the concentration which produced a 50% reduction of 5-HT induced contraction in guinea pig ileum; Not tested aid6151.table aid6151.tbin
6152 14 Title: New esters of 4-amino-5-chloro-2-methoxybenzoic acid as potent agonists and antagonists for 5-HT4 receptors. Abstract: A number of benzoates derived from 4-amino-5-chloro-2-methoxybenzoic acid and substituted 1-piperidineethanol were synthesized and found to be potent 5-HT4 receptor agonists in the electrically-stimulated myenteric plexus and longitudinal muscle of the guinea pig ileum and the rat esophagus muscle. Monosubstitution of the piperidine ring with Me, OH, NH-Ac, or CONH2 group... aid6152.table aid6152.tbin
6153 3 Title: New esters of 4-amino-5-chloro-2-methoxybenzoic acid as potent agonists and antagonists for 5-HT4 receptors. Abstract: A number of benzoates derived from 4-amino-5-chloro-2-methoxybenzoic acid and substituted 1-piperidineethanol were synthesized and found to be potent 5-HT4 receptor agonists in the electrically-stimulated myenteric plexus and longitudinal muscle of the guinea pig ileum and the rat esophagus muscle. Monosubstitution of the piperidine ring with Me, OH, NH-Ac, or CONH2 group... aid6153.table aid6153.tbin
6154 1 Title: New esters of 4-amino-5-chloro-2-methoxybenzoic acid as potent agonists and antagonists for 5-HT4 receptors. Abstract: A number of benzoates derived from 4-amino-5-chloro-2-methoxybenzoic acid and substituted 1-piperidineethanol were synthesized and found to be potent 5-HT4 receptor agonists in the electrically-stimulated myenteric plexus and longitudinal muscle of the guinea pig ileum and the rat esophagus muscle. Monosubstitution of the piperidine ring with Me, OH, NH-Ac, or CONH2 group... aid6154.table aid6154.tbin
6155 17 Title: New esters of 4-amino-5-chloro-2-methoxybenzoic acid as potent agonists and antagonists for 5-HT4 receptors. Abstract: A number of benzoates derived from 4-amino-5-chloro-2-methoxybenzoic acid and substituted 1-piperidineethanol were synthesized and found to be potent 5-HT4 receptor agonists in the electrically-stimulated myenteric plexus and longitudinal muscle of the guinea pig ileum and the rat esophagus muscle. Monosubstitution of the piperidine ring with Me, OH, NH-Ac, or CONH2 group... aid6155.table aid6155.tbin
6156 3 Title: New esters of 4-amino-5-chloro-2-methoxybenzoic acid as potent agonists and antagonists for 5-HT4 receptors. Abstract: A number of benzoates derived from 4-amino-5-chloro-2-methoxybenzoic acid and substituted 1-piperidineethanol were synthesized and found to be potent 5-HT4 receptor agonists in the electrically-stimulated myenteric plexus and longitudinal muscle of the guinea pig ileum and the rat esophagus muscle. Monosubstitution of the piperidine ring with Me, OH, NH-Ac, or CONH2 group... aid6156.table aid6156.tbin
6157 1 Title: New esters of 4-amino-5-chloro-2-methoxybenzoic acid as potent agonists and antagonists for 5-HT4 receptors. Abstract: A number of benzoates derived from 4-amino-5-chloro-2-methoxybenzoic acid and substituted 1-piperidineethanol were synthesized and found to be potent 5-HT4 receptor agonists in the electrically-stimulated myenteric plexus and longitudinal muscle of the guinea pig ileum and the rat esophagus muscle. Monosubstitution of the piperidine ring with Me, OH, NH-Ac, or CONH2 group... aid6157.table aid6157.tbin
6158 13 Title: 2,3-Dihydro-2-oxo-1H-benzimidazole-1-carboxamides with selective affinity for the 5-HT(4) receptor: synthesis and structure-affinity and structure-activity relationships of a new series of partial agonist and antagonist derivatives. Abstract: A series of 2,3-dihydro-2-oxo-1H-benzimidazole-1-carboxamide derivatives bearing a piperazine moiety was synthesized. Their in vitro 5-HT(4), 5-HT(3), and D(2) receptors affinities were evaluated by radioligand binding assay. For selected compounds f... aid6158.table aid6158.tbin
6159 4 Title: Synthesis and pharmacology of isoquinuclidine derivatives as 5-HT(3) ligands. Abstract: A series of 4-amino-5-chloro-2-methoxybenzoates and benzamides containing the 5- and 6-isoquinuclidinyl system was synthesised and evaluated for binding to 5-HT(3), 5-HT(4) and D(2) receptors. In general, the isoquinuclidine derivatives at the 5-position have shown to be more potent as 5-HT(3) ligands but they also possess 5-HT(4) and D(2) properties. However, the results show that the derivatives at t... aid6159.table aid6159.tbin
6160 4 Title: Synthesis and pharmacology of isoquinuclidine derivatives as 5-HT(3) ligands. Abstract: A series of 4-amino-5-chloro-2-methoxybenzoates and benzamides containing the 5- and 6-isoquinuclidinyl system was synthesised and evaluated for binding to 5-HT(3), 5-HT(4) and D(2) receptors. In general, the isoquinuclidine derivatives at the 5-position have shown to be more potent as 5-HT(3) ligands but they also possess 5-HT(4) and D(2) properties. However, the results show that the derivatives at t... aid6160.table aid6160.tbin
6161 19 Title: Novel N-[1-(1-substituted 4-piperidinylmethyl)-4-piperidinyl]benzamides as potent colonic prokinetic agents. Abstract: A series of novel N-[1-(1-substituted 4-piperidinylmethyl)-4-piperidinyl]benzamides was prepared and its compounds were evaluated for their binding to 5-HT(4) receptors and effects on gastrointestinal motility in conscious dogs. 4-Amino-N-[1-[1-(4-aminobutyl)-4-piperidinylmethyl]-4-piperidinyl]-5-chloro-2-methoxybenzamide (15) was found to have a potent binding affinity f... aid6161.table aid6161.tbin
6162 3 Title: Synthesis and structure-affinity relationships of novel N-(1-ethyl-4-methylhexahydro-1,4-diazepin-6-yl)pyridine-3-carboxamides with potent serotonin 5-HT3 and dopamine D2 receptor antagonistic activity. Abstract: A structurally original series of N-(1-ethyl-4-methylhexahydro-1,4-diazepin-6-yl)pyridine-3-carboxamides derived from the corresponding benzamide 5 were prepared and evaluated for their binding affinity for the dopamine D(2) and serotonin 5-HT(3) receptors using rat striatum and ... aid6162.table aid6162.tbin
6163 1 Title: Synthesis and structure-affinity relationships of novel N-(1-ethyl-4-methylhexahydro-1,4-diazepin-6-yl)pyridine-3-carboxamides with potent serotonin 5-HT3 and dopamine D2 receptor antagonistic activity. Abstract: A structurally original series of N-(1-ethyl-4-methylhexahydro-1,4-diazepin-6-yl)pyridine-3-carboxamides derived from the corresponding benzamide 5 were prepared and evaluated for their binding affinity for the dopamine D(2) and serotonin 5-HT(3) receptors using rat striatum and ... aid6163.table aid6163.tbin
6164 2 Title: Synthesis and structure-affinity relationships of novel N-(1-ethyl-4-methylhexahydro-1,4-diazepin-6-yl)pyridine-3-carboxamides with potent serotonin 5-HT3 and dopamine D2 receptor antagonistic activity. Abstract: A structurally original series of N-(1-ethyl-4-methylhexahydro-1,4-diazepin-6-yl)pyridine-3-carboxamides derived from the corresponding benzamide 5 were prepared and evaluated for their binding affinity for the dopamine D(2) and serotonin 5-HT(3) receptors using rat striatum and ... aid6164.table aid6164.tbin
6165 3 Title: Arylcarbamate derivatives of 1-piperidineethanol as potent ligands for 5-HT4 receptors. Abstract: A series of carbamate derivatives (7) of 2-(1-piperidinyl)ethyl 4-amino-5-chloro-2-methoxybenzoates, which have been described as potent agonists and antagonists of 5-HT4 receptors, were synthesized. They were evaluated using radioligand binding assays with [3H]GR 113808, a 5-HT4 receptor selective ligand, in the rat striatum and the electrically stimulated myenteric plexus longitudinal muscl... aid6165.table aid6165.tbin
6166 1 Title: Arylcarbamate derivatives of 1-piperidineethanol as potent ligands for 5-HT4 receptors. Abstract: A series of carbamate derivatives (7) of 2-(1-piperidinyl)ethyl 4-amino-5-chloro-2-methoxybenzoates, which have been described as potent agonists and antagonists of 5-HT4 receptors, were synthesized. They were evaluated using radioligand binding assays with [3H]GR 113808, a 5-HT4 receptor selective ligand, in the rat striatum and the electrically stimulated myenteric plexus longitudinal muscl... aid6166.table aid6166.tbin
6167 1 Title: Arylcarbamate derivatives of 1-piperidineethanol as potent ligands for 5-HT4 receptors. Abstract: A series of carbamate derivatives (7) of 2-(1-piperidinyl)ethyl 4-amino-5-chloro-2-methoxybenzoates, which have been described as potent agonists and antagonists of 5-HT4 receptors, were synthesized. They were evaluated using radioligand binding assays with [3H]GR 113808, a 5-HT4 receptor selective ligand, in the rat striatum and the electrically stimulated myenteric plexus longitudinal muscl... aid6167.table aid6167.tbin
6168 17 Title: New benzo[h][1,6]naphthyridine and azepino[3,2-c]quinoline derivatives as selective antagonists of 5-HT4 receptors: binding profile and pharmacological characterization. Abstract: A series of benzo[h][1,6]naphthyridine and azepino[3,2-c]quinoline derivatives were prepared and evaluated to determine the necessary requirements for high affinity on the 5-HT(4) receptors and high selectivity versus other receptors. The compounds were synthesized by substituting the chlorine atom of benzonapht... aid6168.table aid6168.tbin
6169 17 Title: New benzo[h][1,6]naphthyridine and azepino[3,2-c]quinoline derivatives as selective antagonists of 5-HT4 receptors: binding profile and pharmacological characterization. Abstract: A series of benzo[h][1,6]naphthyridine and azepino[3,2-c]quinoline derivatives were prepared and evaluated to determine the necessary requirements for high affinity on the 5-HT(4) receptors and high selectivity versus other receptors. The compounds were synthesized by substituting the chlorine atom of benzonapht... aid6169.table aid6169.tbin
6170 39 Title: 2,3-Dihydro-2-oxo-1H-benzimidazole-1-carboxamides with selective affinity for the 5-HT(4) receptor: synthesis and structure-affinity and structure-activity relationships of a new series of partial agonist and antagonist derivatives. Abstract: A series of 2,3-dihydro-2-oxo-1H-benzimidazole-1-carboxamide derivatives bearing a piperazine moiety was synthesized. Their in vitro 5-HT(4), 5-HT(3), and D(2) receptors affinities were evaluated by radioligand binding assay. For selected compounds f... aid6170.table aid6170.tbin
6171 1 Title: 2,3-Dihydro-2-oxo-1H-benzimidazole-1-carboxamides with selective affinity for the 5-HT(4) receptor: synthesis and structure-affinity and structure-activity relationships of a new series of partial agonist and antagonist derivatives. Abstract: A series of 2,3-dihydro-2-oxo-1H-benzimidazole-1-carboxamide derivatives bearing a piperazine moiety was synthesized. Their in vitro 5-HT(4), 5-HT(3), and D(2) receptors affinities were evaluated by radioligand binding assay. For selected compounds f... aid6171.table aid6171.tbin
6172 5 Title: The serotonin 5-HT4 receptor. 1. Design of a new class of agonists and receptor map of the agonist recognition site. Abstract: The design and synthesis of a new class of potent and selective 5-HT4 receptor agonists containing an indole nucleus linked to a carbazimidamide are presented. A conformational study of the 5-HT4 receptor agonists serotonin and zacopride led to the identification of an initial pharmacophore and to the definition of a three-dimensional map of the 5-HT4 agonist reco... aid6172.table aid6172.tbin
6173 8 Title: New benzo[h][1,6]naphthyridine and azepino[3,2-c]quinoline derivatives as selective antagonists of 5-HT4 receptors: binding profile and pharmacological characterization. Abstract: A series of benzo[h][1,6]naphthyridine and azepino[3,2-c]quinoline derivatives were prepared and evaluated to determine the necessary requirements for high affinity on the 5-HT(4) receptors and high selectivity versus other receptors. The compounds were synthesized by substituting the chlorine atom of benzonapht... aid6173.table aid6173.tbin
6174 11 Title: Synthesis and structure-affinity relationships of novel N-(1-ethyl-4-methylhexahydro-1,4-diazepin-6-yl)pyridine-3-carboxamides with potent serotonin 5-HT3 and dopamine D2 receptor antagonistic activity. Abstract: A structurally original series of N-(1-ethyl-4-methylhexahydro-1,4-diazepin-6-yl)pyridine-3-carboxamides derived from the corresponding benzamide 5 were prepared and evaluated for their binding affinity for the dopamine D(2) and serotonin 5-HT(3) receptors using rat striatum and ... aid6174.table aid6174.tbin
6175 27 Title: 2,3-Dihydro-2-oxo-1H-benzimidazole-1-carboxamides with selective affinity for the 5-HT(4) receptor: synthesis and structure-affinity and structure-activity relationships of a new series of partial agonist and antagonist derivatives. Abstract: A series of 2,3-dihydro-2-oxo-1H-benzimidazole-1-carboxamide derivatives bearing a piperazine moiety was synthesized. Their in vitro 5-HT(4), 5-HT(3), and D(2) receptors affinities were evaluated by radioligand binding assay. For selected compounds f... aid6175.table aid6175.tbin
6176 1 Title: Synthesis and pharmacology of isoquinuclidine derivatives as 5-HT(3) ligands. Abstract: A series of 4-amino-5-chloro-2-methoxybenzoates and benzamides containing the 5- and 6-isoquinuclidinyl system was synthesised and evaluated for binding to 5-HT(3), 5-HT(4) and D(2) receptors. In general, the isoquinuclidine derivatives at the 5-position have shown to be more potent as 5-HT(3) ligands but they also possess 5-HT(4) and D(2) properties. However, the results show that the derivatives at t... aid6176.table aid6176.tbin
6177 2 Title: Synthesis and pharmacology of isoquinuclidine derivatives as 5-HT(3) ligands. Abstract: A series of 4-amino-5-chloro-2-methoxybenzoates and benzamides containing the 5- and 6-isoquinuclidinyl system was synthesised and evaluated for binding to 5-HT(3), 5-HT(4) and D(2) receptors. In general, the isoquinuclidine derivatives at the 5-position have shown to be more potent as 5-HT(3) ligands but they also possess 5-HT(4) and D(2) properties. However, the results show that the derivatives at t... aid6177.table aid6177.tbin
6178 1 Title: 5-HT4 receptor ligands: applications and new prospects. aid6178.table aid6178.tbin
6179 1 Title: Novel, potent, and selective 5-HT3 receptor antagonists based on the arylpiperazine skeleton: synthesis, structure, biological activity, and comparative molecular field analysis studies. Abstract: Synthesis and pharmacological evaluation of a series of condensed quinoline derivatives bearing a basic nitrogen on piperazine or [(dimethylamino)ethyl]thio moieties attached at the 2-position of the quinoline nucleus are described. 5-HT receptor binding studies revealed, for most of the compoun... aid6179.table aid6179.tbin
6180 2 Title: Novel, potent, and selective 5-HT3 receptor antagonists based on the arylpiperazine skeleton: synthesis, structure, biological activity, and comparative molecular field analysis studies. Abstract: Synthesis and pharmacological evaluation of a series of condensed quinoline derivatives bearing a basic nitrogen on piperazine or [(dimethylamino)ethyl]thio moieties attached at the 2-position of the quinoline nucleus are described. 5-HT receptor binding studies revealed, for most of the compoun... aid6180.table aid6180.tbin
6181 3 Title: Novel, potent, and selective 5-HT3 receptor antagonists based on the arylpiperazine skeleton: synthesis, structure, biological activity, and comparative molecular field analysis studies. Abstract: Synthesis and pharmacological evaluation of a series of condensed quinoline derivatives bearing a basic nitrogen on piperazine or [(dimethylamino)ethyl]thio moieties attached at the 2-position of the quinoline nucleus are described. 5-HT receptor binding studies revealed, for most of the compoun... aid6181.table aid6181.tbin
6182 1 Title: Novel, potent, and selective 5-HT3 receptor antagonists based on the arylpiperazine skeleton: synthesis, structure, biological activity, and comparative molecular field analysis studies. Abstract: Synthesis and pharmacological evaluation of a series of condensed quinoline derivatives bearing a basic nitrogen on piperazine or [(dimethylamino)ethyl]thio moieties attached at the 2-position of the quinoline nucleus are described. 5-HT receptor binding studies revealed, for most of the compoun... aid6182.table aid6182.tbin
6183 2 Evaluated for the antagonistic activity against Serotonin 5-hydroxytryptamine 4 receptor in non-electrically stimulated guinea-pig ileum. aid6183.table aid6183.tbin
6184 5 Title: The serotonin 5-HT4 receptor. 1. Design of a new class of agonists and receptor map of the agonist recognition site. Abstract: The design and synthesis of a new class of potent and selective 5-HT4 receptor agonists containing an indole nucleus linked to a carbazimidamide are presented. A conformational study of the 5-HT4 receptor agonists serotonin and zacopride led to the identification of an initial pharmacophore and to the definition of a three-dimensional map of the 5-HT4 agonist reco... aid6184.table aid6184.tbin
6185 46 Title: The serotonin 5-HT4 receptor. 2. Structure-activity studies of the indole carbazimidamide class of agonists. Abstract: A number of substituted indole carbazimidamides were prepared and evaluated as 5-HT4 receptor agonists by using the isolated field-stimulated guinea pig ileum preparation. Their selectivity for the 5-HT4 receptor was established by examining their affinity for other 5-HT receptors using radioligand-binding techniques. Several selective and highly potent full as well as pa... aid6185.table aid6185.tbin
6186 11 Agonistic activity against Serotonin 5-hydroxytryptamine 4 receptor in low frequency field stimulation of guinea-pig ileum (FSGPI). aid6186.table aid6186.tbin
6187 7 Agonistic activity against Serotonin 5-hydroxytryptamine 4 receptor in non-electrically stimulated guinea-pig ileum. aid6187.table aid6187.tbin
6188 10 Title: N-[(1-butyl-4-piperidinyl)methyl]-3,4dihydro-2H-[1,3]oxazino[3,2- a]indole10-carboxamide hydrochloride: the first potent and selective 5-HT4 receptor antagonist amide with oral activity. aid6188.table aid6188.tbin
6189 1 Title: N-[(1-butyl-4-piperidinyl)methyl]-3,4dihydro-2H-[1,3]oxazino[3,2- a]indole10-carboxamide hydrochloride: the first potent and selective 5-HT4 receptor antagonist amide with oral activity. aid6189.table aid6189.tbin
6190 40 Title: 2,3-Dihydro-2-oxo-1H-benzimidazole-1-carboxamides with selective affinity for the 5-HT(4) receptor: synthesis and structure-affinity and structure-activity relationships of a new series of partial agonist and antagonist derivatives. Abstract: A series of 2,3-dihydro-2-oxo-1H-benzimidazole-1-carboxamide derivatives bearing a piperazine moiety was synthesized. Their in vitro 5-HT(4), 5-HT(3), and D(2) receptors affinities were evaluated by radioligand binding assay. For selected compounds f... aid6190.table aid6190.tbin
6191 1 Title: Tetrahydrothienopyridylbutyl-tetrahydrobenzindoles: new selective ligands of the 5-HT(7) receptor. Abstract: The synthesis and the affinity for the 5-HT(7) receptor and other receptors of a novel series of fused-ring tetrahydropyridine derivatives are described. Some of the compounds showed high affinity for the 5-HT(7) receptor. Tetrahydrothienopyridylbutyl-tetrahydrobenzindoles and are potent ligands for the 5-HT(7) receptor, with high selectivity over the 5-HT(2) receptor and other rec... aid6191.table aid6191.tbin
6192 4 Binding affinity for 5-hydroxytryptamine 4 receptor by displacement of [3H]GR-113808 from guinea pig brain striatum. aid6192.table aid6192.tbin
6193 1 Title: N-[(1-butyl-4-piperidinyl)methyl]-3,4dihydro-2H-[1,3]oxazino[3,2- a]indole10-carboxamide hydrochloride: the first potent and selective 5-HT4 receptor antagonist amide with oral activity. aid6193.table aid6193.tbin
6194 17 Title: New 2-piperazinylbenzimidazole derivatives as 5-HT3 antagonists. Synthesis and pharmacological evaluation. Abstract: A series of 2-piperazinylbenzimidazole derivatives were prepared and evaluated as 5-HT3 receptor antagonists. Their 5-HT3 receptor affinities were evaluated by radioligand binding assays, and their abilities to inhibit the 5-HT-induced Bezold-Jarisch reflex in anesthetized rats were determined. Compound 7e (lerisetron, pKi = 9.2) exhibited higher affinity for the 5-HT3 rece... aid6194.table aid6194.tbin
6195 1 Compound was evaluated for binding affinity against 5-hydroxytryptamine 4 receptor using radioligand binding assay using [3H]GR as radioligand aid6195.table aid6195.tbin
6196 1 Title: Tetrahydrobenzindoles: selective antagonists of the 5-HT7 receptor. aid6196.table aid6196.tbin
6197 1 Title: 2a-[4-(Tetrahydropyridoindol-2-yl)butyl]tetrahydrobenzindole derivatives: new selective antagonists of the 5-hydroxytryptamine7 receptor. Abstract: A series of tetrahydrobenzindoles was prepared, and the affinity of these compounds for the 5-hydroxytryptamine7 (5-HT7) receptor and other receptors was evaluated. Most of the compounds showed high affinity for the 5-HT7 receptor, and 2a-[4-(tetrahydropyridoindol-2-yl)butyl]tetrahydrobenzindole derivatives (26a-j) exhibited high selectivity f... aid6197.table aid6197.tbin
6198 1 Title: (R)-3,N-dimethyl-N-[1-methyl-3-(4-methyl-piperidin-1-yl) propyl]benzenesulfonamide: the first selective 5-HT7 receptor antagonist. aid6198.table aid6198.tbin
6199 2 Title: Pyrroloquinoxaline derivatives as high-affinity and selective 5-HT(3) receptor agonists: synthesis, further structure-activity relationships, and biological studies. Abstract: The synthesis, pharmacological evaluation, and structure-activity relationships (SARs) of a series of novel pyrroloquinoxalines and heteroaromatic-related derivatives are described. The new pyrroloquinoxaline-related ligands were tested in rat cortex, a tissue expressing high density of 5-HT(3) receptors, and on NG1... aid6199.table aid6199.tbin
6200 6 Title: Pyrroloquinoxaline derivatives as high-affinity and selective 5-HT(3) receptor agonists: synthesis, further structure-activity relationships, and biological studies. Abstract: The synthesis, pharmacological evaluation, and structure-activity relationships (SARs) of a series of novel pyrroloquinoxalines and heteroaromatic-related derivatives are described. The new pyrroloquinoxaline-related ligands were tested in rat cortex, a tissue expressing high density of 5-HT(3) receptors, and on NG1... aid6200.table aid6200.tbin
6201 1 Title: Arylcarbamate derivatives of 1-piperidineethanol as potent ligands for 5-HT4 receptors. Abstract: A series of carbamate derivatives (7) of 2-(1-piperidinyl)ethyl 4-amino-5-chloro-2-methoxybenzoates, which have been described as potent agonists and antagonists of 5-HT4 receptors, were synthesized. They were evaluated using radioligand binding assays with [3H]GR 113808, a 5-HT4 receptor selective ligand, in the rat striatum and the electrically stimulated myenteric plexus longitudinal muscl... aid6201.table aid6201.tbin
6202 1 Title: New tetrahydrobenzindoles as potent and selective 5-HT(7) antagonists with increased In vitro metabolic stability. Abstract: Chemical modifications of compound 1 (DR4004), a potent, selective antagonist of the 5-HT(7) receptor, were conducted with the aim of improving its metabolic stability. Halogenation of putative sites of oxidative metabolism afforded compounds 7-10, which retained high affinity and selectivity for the 5-HT(7) receptor, and showed increased in vitro metabolic stabilit... aid6202.table aid6202.tbin
6203 1 Title: N-[3-(2-Dimethylaminoethyl)-2-methyl-1H- indol-5-yl]-4-fluorobenzamide: a potent, selective, and orally active 5-HT(1F) receptor agonist potentially useful for migraine therapy. Abstract: Recent studies have demonstrated that selective 5-HT(1F) receptor agonists inhibit neurogenic dural inflammation, a model of migraine headache, indicating that these compounds may be effective therapies for the treatment of migraine pain. This communication describes the synthesis and discovery of a nove... aid6203.table aid6203.tbin
6204 2 Title: Novel potent 5-HT(1F) receptor agonists: structure-activity studies of a series of substituted N-[3-(1-methyl-4-piperidinyl)-1H-pyrrolo[3,2-b]pyridin-5-yl]amides. Abstract: Compound 1a (LY334370), a selective 5-HT(1F) receptor agonist (SSOFRA), inhibited dural inflammation in the neurogenic plasma protein extravasation model of migraine and demonstrated clinical efficacy for the acute treatment of migraine. Although 1a was greater than 100-fold selective over both the 5-HT(1B) and 5-HT(1D... aid6204.table aid6204.tbin
6205 4 Title: Phenyl benzenesulfonamides are novel and selective 5-HT6 antagonists: identification of N-(2,5-dibromo-3-fluorophenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide (SB-357134). Abstract: Substituted N-phenyl-4-methoxy-3-piperazin-1-ylbenzenesulfonamides and conformationally restricted analogues have been identified as high affinity and selective 5-HT6 antagonists. Compounds from this series had a range of pharmacokinetic profiles in rat and in general there was a correlation between clear... aid6205.table aid6205.tbin
6206 3 Title: 5-Chloro-N-(4-methoxy-3-piperazin-1-yl- phenyl)-3-methyl-2-benzothiophenesulfon- amide (SB-271046): a potent, selective, and orally bioavailable 5-HT6 receptor antagonist. aid6206.table aid6206.tbin
6207 1 Title: SB-656104-A: a novel 5-HT(7) receptor antagonist with improved in vivo properties. Abstract: A focused SAR study around the previously reported selective 5-HT(7) receptor antagonist, SB-269970-A has resulted in the identification of a structurally related analogue having an improved pharmacokinetic profile. Replacement of the phenolic group in SB-269970-A with an indole moiety, and replacement of the piperidinyl 4-methyl group with a heterocyclic ring system proved to be the key changes l... aid6207.table aid6207.tbin
6208 5 Title: Bicyclic piperazinylbenzenesulphonamides are potent and selective 5-HT6 receptor antagonists. Abstract: The synthesis of novel 3-(octahydropyrido[1,2-a]pyrazin-2-yl)- and 3-(hexahydropyrrolo[1,2-a]pyrazin-2-yl)phenyl-2-benzo[b]thiophene sulphonamide derivatives 3, (S)-4 and (R)-4 is described. The compounds show high affinity for the 5-HT6 receptor, excellent selectivity against a range of other receptors and good brain penetration. aid6208.table aid6208.tbin
6209 2 Title: 5-HT4 receptor ligands: applications and new prospects. aid6209.table aid6209.tbin
6210 1 Title: 5-HT4 receptor ligands: applications and new prospects. aid6210.table aid6210.tbin
6211 1 Title: New benzo[h][1,6]naphthyridine and azepino[3,2-c]quinoline derivatives as selective antagonists of 5-HT4 receptors: binding profile and pharmacological characterization. Abstract: A series of benzo[h][1,6]naphthyridine and azepino[3,2-c]quinoline derivatives were prepared and evaluated to determine the necessary requirements for high affinity on the 5-HT(4) receptors and high selectivity versus other receptors. The compounds were synthesized by substituting the chlorine atom of benzonapht... aid6211.table aid6211.tbin
6212 2 Title: 5-HT4 receptor ligands: applications and new prospects. aid6212.table aid6212.tbin
6213 7 Evaluated for the 5-hydroxytryptamine 4 receptor antagonistic activity in piglet atrium model aid6213.table aid6213.tbin
6214 1 Evaluated for the 5-hydroxytryptamine 4 receptor antagonistic activity in piglet atrium model; compound found inactive at 1 uM aid6214.table aid6214.tbin
6215 1 Title: N-Substituted (2,3-dihydro-1,4-benzodioxin-2-yl)methylamine derivatives as D(2) antagonists/5-HT(1A) partial agonists with potential as atypical antipsychotic agents. Abstract: A series of N-substituted 1-(2,3-dihydro-1, 4-benzodioxin-2-yl)methylamine derivatives with D(2) antagonist/5-HT(1A) partial agonist activity has been prepared as potential atypical antipsychotic agents. Optimization of in vitro receptor binding activity and in vivo activity in rodent models of psychosis has led to... aid6215.table aid6215.tbin
6216 1 Title: The selective 5-HT1B receptor inverse agonist 1'-methyl-5-[[2'-methyl-4'-(5-methyl-1,2, 4-oxadiazol-3-yl)biphenyl-4-yl]carbonyl]-2,3,6,7-tetrahydro- spiro[furo[2,3-f]indole-3,4'-piperidine] (SB-224289) potently blocks terminal 5-HT autoreceptor function both in vitro and in vivo. Abstract: 5-HT1 receptors are members of the G-protein-coupled receptor superfamily and are negatively linked to adenylyl cyclase activity. The human 5-HT1B and 5-HT1D receptors (previously known as 5-HT1Dbeta an... aid6216.table aid6216.tbin
6217 1 Title: N-(1-methyl-5-indolyl)-N'-(3-methyl-5-isothiazolyl)urea: a novel, high-affinity 5-HT2B receptor antagonist. aid6217.table aid6217.tbin
6218 1 Title: Computer-aided design and synthesis of 5-substituted tryptamines and their pharmacology at the 5-HT1D receptor: discovery of compounds with potential anti-migraine properties. Abstract: The design and synthesis of a series of novel 5-substituted tryptamines with pharmacological activity at 5-HT1D and other monoamine receptors is described. Structural modifications of N- and C-linked (principally hydantoin) analogues at the 5-position were synthesized and their pharmacological activities w... aid6218.table aid6218.tbin
6219 13 Displacement of [3H]GR-113808 from rat striatum 5-hydroxytryptamine 4 receptor aid6219.table aid6219.tbin
6220 6 Tested for its agonist potency against the 5-hydroxytryptamine 4 receptor located in the rat esophageal tunica muscularis mucosae aid6220.table aid6220.tbin
6221 2 Title: 5-HT4 receptor ligands: applications and new prospects. aid6221.table aid6221.tbin
6222 1 Tested for the effect on binding at 5-hydroxytryptamine 4 receptor; No activity aid6222.table aid6222.tbin
6223 5 lntrinsic activity relative to 5-HT receptor aid6223.table aid6223.tbin
6224 6 Compound was evaluated for the agonistic activity towards 5-hydroxytryptamine 4 receptor using the rat tunica muscularis mucosae (TMM) esophagus strip assay aid6224.table aid6224.tbin
6225 21 In vitro relaxation of carbachol pre-contracted rat oesophageal TMM. aid6225.table aid6225.tbin
6226 2 Title: Bridgehead-methyl analog of SC-53116 as a 5-HT4 agonist. Abstract: Pyrrolizidine benzamide (+/-)-2, the bridgehead-methyl analog of SC-53116, was prepared and evaluated for 5-HT(4) agonism activity in the rat tunica muscularis (TMM) mucosae assay. Compound (+/-)-2 has an EC(50) of 449 nM in the TMM assay, as compared to 23 nM for SC-53116, and 66 nM for the racemate of SC-53116. aid6226.table aid6226.tbin
6227 1 Title: Bridgehead-methyl analog of SC-53116 as a 5-HT4 agonist. Abstract: Pyrrolizidine benzamide (+/-)-2, the bridgehead-methyl analog of SC-53116, was prepared and evaluated for 5-HT(4) agonism activity in the rat tunica muscularis (TMM) mucosae assay. Compound (+/-)-2 has an EC(50) of 449 nM in the TMM assay, as compared to 23 nM for SC-53116, and 66 nM for the racemate of SC-53116. aid6227.table aid6227.tbin
6228 2 Title: 5-HT4 receptor ligands: applications and new prospects. aid6228.table aid6228.tbin
6229 1 Title: Bridgehead-methyl analog of SC-53116 as a 5-HT4 agonist. Abstract: Pyrrolizidine benzamide (+/-)-2, the bridgehead-methyl analog of SC-53116, was prepared and evaluated for 5-HT(4) agonism activity in the rat tunica muscularis (TMM) mucosae assay. Compound (+/-)-2 has an EC(50) of 449 nM in the TMM assay, as compared to 23 nM for SC-53116, and 66 nM for the racemate of SC-53116. aid6229.table aid6229.tbin
6230 14 Title: SC-53116: the first selective agonist at the newly identified serotonin 5-HT4 receptor subtype. aid6230.table aid6230.tbin
6231 2 5-hydroxytryptamine 4 receptor agonist activity was determined by the relaxation of the carbachol-contracted rat esophageal tunica muscularis mucosae aid6231.table aid6231.tbin
6232 6 Title: Novel and highly potent 5-HT3 receptor agonists based on a pyrroloquinoxaline structure. Abstract: The synthesis and the biological evaluation of a series of novel pyrroloquinoxaline derivatives are described. In binding studies several compounds proved to be potent and selective 5-HT3 receptor ligands. The most active pyrroloquinoxalines, 11d and 11e, showed a subnanomolar affinity for 5-HT3 receptor and were able to functionally discriminate the central and peripheral 5-HT3 receptor, be... aid6232.table aid6232.tbin
6233 6 Tested for its efficacy against the 5-hydroxytryptamine 4 receptor located in the rat esophageal tunica muscularis mucosae aid6233.table aid6233.tbin
6234 6 In vitro 5-hydroxytryptamine 4 receptor activity by using carbachol-precontracted esophageal tunica muscularis mucosae. aid6234.table aid6234.tbin
6235 1 In vitro 5-hydroxytryptamine 4 receptor activity by using carbachol-precontracted esophageal tunica muscularis mucosae; No activity up to 104M concentration aid6235.table aid6235.tbin
6236 11 Title: Arylcarbamate derivatives of 1-piperidineethanol as potent ligands for 5-HT4 receptors. Abstract: A series of carbamate derivatives (7) of 2-(1-piperidinyl)ethyl 4-amino-5-chloro-2-methoxybenzoates, which have been described as potent agonists and antagonists of 5-HT4 receptors, were synthesized. They were evaluated using radioligand binding assays with [3H]GR 113808, a 5-HT4 receptor selective ligand, in the rat striatum and the electrically stimulated myenteric plexus longitudinal muscl... aid6236.table aid6236.tbin
6237 1 Title: Design and synthesis of S-(-)-2-[[4-(napht-1-yl)piperazin-1-yl]methyl]-1,4-dioxoperhydropyrrolo[1,2-a]pyrazine (CSP-2503) using computational simulation. A 5-HT1A receptor agonist. Abstract: Based on a computational model for 5-HT(1A)R-ligand interaction and QSAR studies, we have designed and synthesized a new series of arylpiperazines 2-8 which exhibit high 5-HT(1A)R affinity and selectivity over alpha(1)-adrenergic receptors. Among them, compound CSP-2503 (4) has been pharmacologically ... aid6237.table aid6237.tbin
6238 2 Title: New esters of 4-amino-5-chloro-2-methoxybenzoic acid as potent agonists and antagonists for 5-HT4 receptors. Abstract: A number of benzoates derived from 4-amino-5-chloro-2-methoxybenzoic acid and substituted 1-piperidineethanol were synthesized and found to be potent 5-HT4 receptor agonists in the electrically-stimulated myenteric plexus and longitudinal muscle of the guinea pig ileum and the rat esophagus muscle. Monosubstitution of the piperidine ring with Me, OH, NH-Ac, or CONH2 group... aid6238.table aid6238.tbin
6239 38 Title: New esters of 4-amino-5-chloro-2-methoxybenzoic acid as potent agonists and antagonists for 5-HT4 receptors. Abstract: A number of benzoates derived from 4-amino-5-chloro-2-methoxybenzoic acid and substituted 1-piperidineethanol were synthesized and found to be potent 5-HT4 receptor agonists in the electrically-stimulated myenteric plexus and longitudinal muscle of the guinea pig ileum and the rat esophagus muscle. Monosubstitution of the piperidine ring with Me, OH, NH-Ac, or CONH2 group... aid6239.table aid6239.tbin
6240 10 Binding affinity against 5-hydroxytryptamine 4 receptor using [3H]GR-113808 as radioligand in rat striatum aid6240.table aid6240.tbin
6241 7 Binding affinity against 5-hydroxytryptamine 4 receptor using [3H]GR-113808 as radioligand in rat striatum aid6241.table aid6241.tbin
6242 24 Title: Benzimidazole derivatives. 3. 3D-QSAR/CoMFA model and computational simulation for the recognition of 5-HT(4) receptor antagonists. Abstract: A three-dimensional quantitative structure-affinity relationship study (3D-QSAR), using the comparative molecular field analysis (CoMFA) method, and subsequent computational simulation of ligand recognition have been successfully applied to explain the binding affinities for the 5-HT(4) receptor (5-HT(4)R) of a series of benzimidazole-4-carboxamides... aid6242.table aid6242.tbin
6243 21 Binding affinity at 5-hydroxytryptamine 4 receptor in rat striatum by [3H]GR-113808 displacement. aid6243.table aid6243.tbin
6244 27 Title: Benzimidazole derivatives. 2. Synthesis and structure-activity relationships of new azabicyclic benzimidazole-4-carboxylic acid derivatives with affinity for serotoninergic 5-HT(3) receptors. Abstract: A new series of azabicyclic benzimidazole-4-carboxamides 2-21 and -carboxylates 22-30 were synthesized and evaluated for binding affinity at serotoninergic 5-HT(3) and 5-HT(4) receptors in the CNS. Most of the synthesized compounds exhibited high or very high affinity for the 5-HT(3) bindin... aid6244.table aid6244.tbin
6245 24 Title: 3-D-QSAR/CoMFA and recognition models of benzimidazole derivatives at the 5-HT(4) receptor. Abstract: 3-D-QSAR/CoMFA methodology and computational simulation of ligand recognition have been successfully applied to explain the binding affinities of a series of benzimidazole derivatives 1-24 acting at serotonin 5-HT(4)Rs. Both derived computational models have facilitated the identification of the structural elements of the ligands that are key to high 5-HT(4)R affinity. The results provide... aid6245.table aid6245.tbin
6246 18 Title: Arylcarbamate derivatives of 1-piperidineethanol as potent ligands for 5-HT4 receptors. Abstract: A series of carbamate derivatives (7) of 2-(1-piperidinyl)ethyl 4-amino-5-chloro-2-methoxybenzoates, which have been described as potent agonists and antagonists of 5-HT4 receptors, were synthesized. They were evaluated using radioligand binding assays with [3H]GR 113808, a 5-HT4 receptor selective ligand, in the rat striatum and the electrically stimulated myenteric plexus longitudinal muscl... aid6246.table aid6246.tbin
6247 1 Title: 5-HT4 receptor ligands: applications and new prospects. aid6247.table aid6247.tbin
6248 3 Title: Histaprodifens: synthesis, pharmacological in vitro evaluation, and molecular modeling of a new class of highly active and selective histamine H(1)-receptor agonists. Abstract: A new class of histamine analogues characterized by a 3, 3-diphenylpropyl substituent at the 2-position of the imidazole nucleus has been prepared outgoing from 4,4-diphenylbutyronitrile (4b) via cyclization of the corresponding methyl imidate 5b with 2-oxo-4-phthalimido-1-butyl acetate or 2-oxo-1,4-butandiol in li... aid6248.table aid6248.tbin
6249 2 Title: Histaprodifens: synthesis, pharmacological in vitro evaluation, and molecular modeling of a new class of highly active and selective histamine H(1)-receptor agonists. Abstract: A new class of histamine analogues characterized by a 3, 3-diphenylpropyl substituent at the 2-position of the imidazole nucleus has been prepared outgoing from 4,4-diphenylbutyronitrile (4b) via cyclization of the corresponding methyl imidate 5b with 2-oxo-4-phthalimido-1-butyl acetate or 2-oxo-1,4-butandiol in li... aid6249.table aid6249.tbin
6250 6 5-hydroxytryptamine 4 receptor agonist activity in the rat esophageal muscularis mucosae aid6250.table aid6250.tbin
6251 1 5-hydroxytryptamine 4 receptor agonist activity in the rat esophageal muscularis mucosae; Not tested aid6251.table aid6251.tbin
6252 1 Antagonist activity against 5-hydroxytryptamine 4 receptor mediated relaxation of rat carbachol contracted esophageal muscularis mucosae aid6252.table aid6252.tbin
6253 1 Title: 5-Methyl-1-(3-pyridylcarbamoyl)-1,2,3,5-tetrahydropyrrolo[2,3-f]indole: a novel 5-HT2C/5-HT2B receptor antagonist with improved affinity, selectivity, and oral activity. Abstract: The preparation of a series of conformationally restricted analogues of indolylurea 1, namely tetrahydropyrroloindoles and tetrahydropyrroloquinolines, is described. The binding affinities of these compounds at 5-HT2A, 5-HT2B, and 5-HT2C receptors were determined. Of these compounds, the 1,2,3,5-tetrahydropyrrol... aid6253.table aid6253.tbin
6254 24 Title: 3-D-QSAR/CoMFA and recognition models of benzimidazole derivatives at the 5-HT(4) receptor. Abstract: 3-D-QSAR/CoMFA methodology and computational simulation of ligand recognition have been successfully applied to explain the binding affinities of a series of benzimidazole derivatives 1-24 acting at serotonin 5-HT(4)Rs. Both derived computational models have facilitated the identification of the structural elements of the ligands that are key to high 5-HT(4)R affinity. The results provide... aid6254.table aid6254.tbin
6255 9 Title: Synthesis and structure-activity relationships of potent and orally active 5-HT4 receptor antagonists: indazole and benzimidazolone derivatives. Abstract: A series of indole-3-carboxamides, indazole-3-carboxamides, and benzimidazolone-3-carboxamides was synthesized and evaluated for antagonist affinity at the 5-HT4 receptor in the rat esophagus. The endo-3-tropanamine derivatives in the indazole and benzimidazolone series possessed greater 5-HT4 receptor affinity than the corresponding in... aid6255.table aid6255.tbin
6256 52 Title: Synthesis and structure-activity relationships of potent and orally active 5-HT4 receptor antagonists: indazole and benzimidazolone derivatives. Abstract: A series of indole-3-carboxamides, indazole-3-carboxamides, and benzimidazolone-3-carboxamides was synthesized and evaluated for antagonist affinity at the 5-HT4 receptor in the rat esophagus. The endo-3-tropanamine derivatives in the indazole and benzimidazolone series possessed greater 5-HT4 receptor affinity than the corresponding in... aid6256.table aid6256.tbin
6257 23 Title: Synthesis and structure-activity relationships of potent and orally active 5-HT4 receptor antagonists: indazole and benzimidazolone derivatives. Abstract: A series of indole-3-carboxamides, indazole-3-carboxamides, and benzimidazolone-3-carboxamides was synthesized and evaluated for antagonist affinity at the 5-HT4 receptor in the rat esophagus. The endo-3-tropanamine derivatives in the indazole and benzimidazolone series possessed greater 5-HT4 receptor affinity than the corresponding in... aid6257.table aid6257.tbin
6258 9 Title: Synthesis and structure-activity relationships of potent and orally active 5-HT4 receptor antagonists: indazole and benzimidazolone derivatives. Abstract: A series of indole-3-carboxamides, indazole-3-carboxamides, and benzimidazolone-3-carboxamides was synthesized and evaluated for antagonist affinity at the 5-HT4 receptor in the rat esophagus. The endo-3-tropanamine derivatives in the indazole and benzimidazolone series possessed greater 5-HT4 receptor affinity than the corresponding in... aid6258.table aid6258.tbin
6259 1 Title: Synthesis and structure-activity relationships of potent and orally active 5-HT4 receptor antagonists: indazole and benzimidazolone derivatives. Abstract: A series of indole-3-carboxamides, indazole-3-carboxamides, and benzimidazolone-3-carboxamides was synthesized and evaluated for antagonist affinity at the 5-HT4 receptor in the rat esophagus. The endo-3-tropanamine derivatives in the indazole and benzimidazolone series possessed greater 5-HT4 receptor affinity than the corresponding in... aid6259.table aid6259.tbin
6260 10 Title: Synthesis and structure-activity relationships of potent and orally active 5-HT4 receptor antagonists: indazole and benzimidazolone derivatives. Abstract: A series of indole-3-carboxamides, indazole-3-carboxamides, and benzimidazolone-3-carboxamides was synthesized and evaluated for antagonist affinity at the 5-HT4 receptor in the rat esophagus. The endo-3-tropanamine derivatives in the indazole and benzimidazolone series possessed greater 5-HT4 receptor affinity than the corresponding in... aid6260.table aid6260.tbin
6261 22 Title: Synthesis and structure-activity relationships of potent and orally active 5-HT4 receptor antagonists: indazole and benzimidazolone derivatives. Abstract: A series of indole-3-carboxamides, indazole-3-carboxamides, and benzimidazolone-3-carboxamides was synthesized and evaluated for antagonist affinity at the 5-HT4 receptor in the rat esophagus. The endo-3-tropanamine derivatives in the indazole and benzimidazolone series possessed greater 5-HT4 receptor affinity than the corresponding in... aid6261.table aid6261.tbin
6262 1 Title: Synthesis and structure-activity relationships of potent and orally active 5-HT4 receptor antagonists: indazole and benzimidazolone derivatives. Abstract: A series of indole-3-carboxamides, indazole-3-carboxamides, and benzimidazolone-3-carboxamides was synthesized and evaluated for antagonist affinity at the 5-HT4 receptor in the rat esophagus. The endo-3-tropanamine derivatives in the indazole and benzimidazolone series possessed greater 5-HT4 receptor affinity than the corresponding in... aid6262.table aid6262.tbin
6263 1 Estimate from relaxation of carbachol-contracted rat esophageal muscularis mucosae aid6263.table aid6263.tbin
6264 1 Title: First tricyclic oximino derivatives as 5-HT3 ligands. Abstract: The design and synthesis of a new type of 5-HT3 ligand with subnanomolar affinity are described. The O-dialkylaminoethyloximinothienopyrrolizine structure was deduced from molecular modeling studies by replacement of an amidine moiety by an oximino one. aid6264.table aid6264.tbin
6265 1 Title: 5-HT4 receptor ligands: applications and new prospects. aid6265.table aid6265.tbin
6266 1 Title: 5-HT4 receptor ligands: applications and new prospects. aid6266.table aid6266.tbin
6267 1 Title: 5-HT4 receptor ligands: applications and new prospects. aid6267.table aid6267.tbin
6268 1 Compound was tested for its affinity towards 5-hydroxytryptamine 4 receptor aid6268.table aid6268.tbin
6269 1 Title: 5-HT4 receptor ligands: applications and new prospects. aid6269.table aid6269.tbin
6270 1 Title: Synthesis and structure-activity relationships of a new model of arylpiperazines. 5. Study of the physicochemical influence of the pharmacophore on 5-HT(1a)/alpha(1)-adrenergic receptor affinity: synthesis of a new derivative with mixed 5-HT(1a)/d(2) antagonist properties. Abstract: In this paper we have designed and synthesized a test series of 32 amide arylpiperazine derivatives VI in order to gain insight into the physicochemical influence of the pharmacophores of 5-HT(1A) and alpha(1)... aid6270.table aid6270.tbin
6271 2 Title: 5-HT4 receptor ligands: applications and new prospects. aid6271.table aid6271.tbin
6272 1 Title: 5-HT4 receptor ligands: applications and new prospects. aid6272.table aid6272.tbin
6273 1 Title: 5-HT4 receptor ligands: applications and new prospects. aid6273.table aid6273.tbin
6274 2 Title: 5-HT4 receptor ligands: applications and new prospects. aid6274.table aid6274.tbin
6275 2 Title: 5-HT4 receptor ligands: applications and new prospects. aid6275.table aid6275.tbin
6276 2 Title: 5-HT4 receptor ligands: applications and new prospects. aid6276.table aid6276.tbin
6277 1 Binding affinity against 5-Hydroxytryptamine 4 receptor aid6277.table aid6277.tbin
6278 1 Title: Novel 5-HT3 antagonists. Indole oxadiazoles. Abstract: The synthesis and biochemical evaluation of a series of indole oxadiazole 5-HT3 antagonists are described. The key pharmacophoric elements have been defined as a basic nitrogen, a linking group capable of H-bonding interactions, and an aromatic moiety. The steric limitations of the aromatic binding site have been determined by substitution about the indole ring. Variation of the heterocyclic linking group has shown that while two hydr... aid6278.table aid6278.tbin
6279 5 Title: Novel 5-HT3 antagonists: indol-3-ylspiro(azabicycloalkane-3,5'(4'H)-oxazoles). Abstract: The synthesis and biochemical evaluation of a series of spirofused indole oxazoline 5-HT3 antagonists is described in which the oxazoline ring acts as a bioisosteric replacement for esters and amides. The effect of substitution about the indole ring has shown the steric limitations of the aromatic binding site. Incorporation of a variety of azabicyclic systems within the rigid spirofused framework has... aid6279.table aid6279.tbin
6280 31 Title: Novel 5-HT3 antagonists: indol-3-ylspiro(azabicycloalkane-3,5'(4'H)-oxazoles). Abstract: The synthesis and biochemical evaluation of a series of spirofused indole oxazoline 5-HT3 antagonists is described in which the oxazoline ring acts as a bioisosteric replacement for esters and amides. The effect of substitution about the indole ring has shown the steric limitations of the aromatic binding site. Incorporation of a variety of azabicyclic systems within the rigid spirofused framework has... aid6280.table aid6280.tbin
6281 3 Title: Synthesis and biological activity of 3-[2-(dimethylamino)ethyl]-5-[(1,1-dioxo-5-methyl-1,2,5-thiadiazolidin- 2-yl)-methyl]-1H-indole and analogues: agonists for the 5-HT1D receptor. Abstract: A novel series of 5-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)tryptamines was designed, synthesized, and evaluated as 5-HT1D receptor agonists. Compounds such as 8d,f,k were identified which had comparable affinity, potency, and receptor selectivity to that of the antimigraine drug sumatriptan. Both 8d,k ... aid6281.table aid6281.tbin
6282 13 Title: Synthesis and serotonergic activity of 5-(oxadiazolyl)tryptamines: potent agonists for 5-HT1D receptors. Abstract: The synthesis and 5-HT1D receptor activity of a novel series of 5-(oxadiazolyl)tryptamines is described. Modifications of the oxadiazole 3-substituent, length of the linking chain (n), and the amine substituents are explored and reveal a large binding pocket in the 5-HT1D receptor domain. Oxadiazole substituents such as benzyl are accommodated without loss of agonist potency ... aid6282.table aid6282.tbin
6283 1 Title: N-(1-methyl-5-indolyl)-N'-(3-pyridyl)urea hydrochloride: the first selective 5-HT1C receptor antagonist. aid6283.table aid6283.tbin
6284 6 Title: Conformation-activity relationship study of 5-HT3 receptor antagonists and a definition of a model for this receptor site. Abstract: A conformation-activity relationship study of 5-HT3 receptor antagonists was used to define a pharmacophore and receptor map to qualitatively account for their activity. The design and synthesis of specific keto-amino-indole derivatives that are potent 5-HT3 receptor antagonists gave some support to the model. aid6284.table aid6284.tbin
6285 4 Title: Conformation-activity relationship study of 5-HT3 receptor antagonists and a definition of a model for this receptor site. Abstract: A conformation-activity relationship study of 5-HT3 receptor antagonists was used to define a pharmacophore and receptor map to qualitatively account for their activity. The design and synthesis of specific keto-amino-indole derivatives that are potent 5-HT3 receptor antagonists gave some support to the model. aid6285.table aid6285.tbin
6286 47 Title: Arylpiperazines with serotonin-3 antagonist activity: a comparative molecular field analysis. Abstract: Comparative molecular field analysis (CoMFA) is applied to antagonists of the 5-HT3 receptor. Analysis is done separately on three published sets of arylpiperazines and on a combination of the three sets. d-Tubocurarine, a conformationally restricted 5-HT3 ligand, is used as a template to assist in selecting the conformation of the antagonists for CoMFA alignment. Two forms of the arylp... aid6286.table aid6286.tbin
6287 1 Title: 5-Methyl-1-(3-pyridylcarbamoyl)-1,2,3,5-tetrahydropyrrolo[2,3-f]indole: a novel 5-HT2C/5-HT2B receptor antagonist with improved affinity, selectivity, and oral activity. Abstract: The preparation of a series of conformationally restricted analogues of indolylurea 1, namely tetrahydropyrroloindoles and tetrahydropyrroloquinolines, is described. The binding affinities of these compounds at 5-HT2A, 5-HT2B, and 5-HT2C receptors were determined. Of these compounds, the 1,2,3,5-tetrahydropyrrol... aid6287.table aid6287.tbin
6288 2 Binding affinity against 5-Hydroxytryptamine 3 receptor aid6288.table aid6288.tbin
6289 1 Binding affinity for 5-hydroxytryptamine 3 receptor by displacement of racemic [3H]zacopride from rat cortex aid6289.table aid6289.tbin
6290 6 Binding affinity to 5-hydroxytryptamine 3 receptor was determined in rat cerebro cortical membranes using [3H]quipazine. aid6290.table aid6290.tbin
6291 14 Displacement of [3H]granisetron from 5-hydroxytryptamine 3 receptor of rat cortex aid6291.table aid6291.tbin
6292 19 Title: New 2-piperazinylbenzimidazole derivatives as 5-HT3 antagonists. Synthesis and pharmacological evaluation. Abstract: A series of 2-piperazinylbenzimidazole derivatives were prepared and evaluated as 5-HT3 receptor antagonists. Their 5-HT3 receptor affinities were evaluated by radioligand binding assays, and their abilities to inhibit the 5-HT-induced Bezold-Jarisch reflex in anesthetized rats were determined. Compound 7e (lerisetron, pKi = 9.2) exhibited higher affinity for the 5-HT3 rece... aid6292.table aid6292.tbin
6293 6 Tested for its binding affinity by measuring its ability to displace [3H]granisetron from 5-hydroxytryptamine 3 receptor in rat cortex aid6293.table aid6293.tbin
6294 1 Title: N-(1-methyl-5-indolyl)-N'-(3-methyl-5-isothiazolyl)urea: a novel, high-affinity 5-HT2B receptor antagonist. aid6294.table aid6294.tbin
6295 17 Title: Novel potent and selective central 5-HT3 receptor ligands provided with different intrinsic efficacy. 1. Mapping the central 5-HT3 receptor binding site by arylpiperazine derivatives. Abstract: Synthesis and pharmacological evaluation of a series of condensed quinoline and pyridine derivatives bearing a N-methylpiperazine moiety attached to the 2-position of the quinoline or pyridine nucleus are described. 5-HT receptor binding studies revealed subnanomolar affinity for the 5-HT3 receptor... aid6295.table aid6295.tbin
6296 3 Title: Pyrroloquinoxaline derivatives as high-affinity and selective 5-HT(3) receptor agonists: synthesis, further structure-activity relationships, and biological studies. Abstract: The synthesis, pharmacological evaluation, and structure-activity relationships (SARs) of a series of novel pyrroloquinoxalines and heteroaromatic-related derivatives are described. The new pyrroloquinoxaline-related ligands were tested in rat cortex, a tissue expressing high density of 5-HT(3) receptors, and on NG1... aid6296.table aid6296.tbin
6297 7 Title: Pyrroloquinoxaline derivatives as high-affinity and selective 5-HT(3) receptor agonists: synthesis, further structure-activity relationships, and biological studies. Abstract: The synthesis, pharmacological evaluation, and structure-activity relationships (SARs) of a series of novel pyrroloquinoxalines and heteroaromatic-related derivatives are described. The new pyrroloquinoxaline-related ligands were tested in rat cortex, a tissue expressing high density of 5-HT(3) receptors, and on NG1... aid6297.table aid6297.tbin
6298 9 Title: Synthesis and biochemical evaluation of tritium-labeled 1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]oct-3-yl)-1H-indazole-3-carboxa mide, a useful radioligand for 5HT3 receptors. Abstract: The advent of potent, highly selective 5HT3 receptor antagonists has stimulated considerable interest in 5HT3 receptor mediated physiology and pharmacology. To permit detailed biochemical studies regarding interaction of the indazole class of serotonin (5HT) antagonists with 5HT3 receptors in multiple tissu... aid6298.table aid6298.tbin
6299 1 Title: 3-amino-3,4-dihydro-2H-1-benzopyran derivatives as 5-HT1A receptor ligands and potential anxiolytic agents. 2. Synthesis and quantitative structure-activity relationship studies of spiro[pyrrolidine- and piperidine-2,3'(2'H)-benzopyrans]. Abstract: In continuation of our work on 3-amino-3,4-dihydro-2H-1-benzopyran derivatives with high affinity for 5-HT1A receptors, we have prepared rigid spirobenzopyran analogues designed from the pharmacophore models of Mellin and selected via a quantit... aid6299.table aid6299.tbin
6300 1 Compound was tested for its antagonistic activity against 5-hydroxytryptamine 3 receptor in rat brain using [3H]zacopride as the radioligand. aid6300.table aid6300.tbin
6301 1 Compound was tested in vitro for its antagonistic activity against 5-hydroxytryptamine 3 receptor aid6301.table aid6301.tbin
6302 1 Compound was tested in vitro for its antagonistic activity against 5-hydroxytryptamine 3 receptor in rat CNS. aid6302.table aid6302.tbin
6303 6 Compound was evaluated in vivo for the antagonistic activity towards 5-hydroxytryptamine 3 receptor aid6303.table aid6303.tbin
6304 1 Compound was tested for its binding affinity towards 5-HT-3 receptor in whole rat brain using (S)-[125I]-zacopride as the radioligand. aid6304.table aid6304.tbin
6305 1 Compound was tested for its binding affinity towards 5-hydroxytryptamine 3 receptor aid6305.table aid6305.tbin
6306 1 Compound was tested for its binding affinity towards 5-hydroxytryptamine 3 receptor in whole rat brain using (S)-[125I]-zacopride as the radioligand. aid6306.table aid6306.tbin
6307 2 Compound was tested for its binding affinity towards 5-hydroxytryptamine 3 receptor in whole rat brain using [125I]DAIZAC as the radioligand. aid6307.table aid6307.tbin
6308 41 Title: Synthesis of a new class of 2,3-dihydro-2-oxo-1H-benzimidazole-1-carboxylic acid derivatives as highly potent 5-HT3 receptor antagonists. Abstract: A series of 2,3-dihydro-2-oxo-1H-benzimidazole-1-carboxylic acid esters and amides containing a basic azacyclo- or azabicycloalkyl moiety has been synthesized and evaluated for 5-HT3 antagonistic activity in a radioligand binding assay ([3H]ICS 205930) and in the 5-HT-induced von Bezold-Jarisch reflex in the rat. It was found that endo-substit... aid6308.table aid6308.tbin
6309 3 In Vitro Binding affinity againist 5-hydroxytryptamine 3 receptor by displacing [3H]-Q-ICS 205-930 from rat cortex homogenates aid6309.table aid6309.tbin
6310 43 Title: 2-(Quinuclidin-3-yl)pyrido[4,3-b]indol-1-ones and isoquinolin-1-ones. Potent conformationally restricted 5-HT3 receptor antagonists. Abstract: Several series of N-(quinuclidin-3-yl)aryl and heteroaryl-fused pyridones were synthesized and evaluated for 5-HT3 receptor affinity. In the heteroaryl series, 2-(quinuclidin-3-yl)tetrahydropyrido-[4,3-b]indol-1-one (8a) and the 4,5-alkano-bridged analogues (14 and 15) displayed high 5-HT3 receptor affinity with pKi values &gt; 9. The (3S)-quinucli... aid6310.table aid6310.tbin
6311 1 Title: Phenylimidazolidin-2-one derivatives as selective 5-HT3 receptor antagonists and refinement of the pharmacophore model for 5-HT3 receptor binding. Abstract: A possible bioisosterism between the benzamido and the phenylimidazolidin-2-one moieties has been suggested on the basis of the similarity between the molecular electrostatic potential (MEP) of metoclopramide, a D2 receptor antagonist with weak 5-HT3 receptor antagonist properties, and zetidoline, a D2 receptor antagonist. Starting fr... aid6311.table aid6311.tbin
6312 1 Title: Higher-end serotonin receptors: 5-HT(5), 5-HT(6), and 5-HT(7). aid6312.table aid6312.tbin
6313 1 Title: Bridgehead-methyl analog of SC-53116 as a 5-HT4 agonist. Abstract: Pyrrolizidine benzamide (+/-)-2, the bridgehead-methyl analog of SC-53116, was prepared and evaluated for 5-HT(4) agonism activity in the rat tunica muscularis (TMM) mucosae assay. Compound (+/-)-2 has an EC(50) of 449 nM in the TMM assay, as compared to 23 nM for SC-53116, and 66 nM for the racemate of SC-53116. aid6313.table aid6313.tbin
6314 24 Title: Thiazole as a carbonyl bioisostere. A novel class of highly potent and selective 5-HT3 receptor antagonists. Abstract: A novel structural class of highly potent and selective 5-HT3 receptor antagonists is described. The compounds in this new series contain a thiazole moiety linking an aromatic group and a nitrogen-containing basic region; the thiazole group appears to be acting as a carbonyl bioisostere in this system. An optimized member of this series, 4-(2-methoxyphenyl)-2-[[4(5)-methy... aid6314.table aid6314.tbin
6315 7 Tested for 5-hydroxytryptamine 3 receptor antagonist activity by inhibiting the 5-HT evoked Bezold-Jarisch reflex aid6315.table aid6315.tbin
6316 1 Title: First tricyclic oximino derivatives as 5-HT3 ligands. Abstract: The design and synthesis of a new type of 5-HT3 ligand with subnanomolar affinity are described. The O-dialkylaminoethyloximinothienopyrrolizine structure was deduced from molecular modeling studies by replacement of an amidine moiety by an oximino one. aid6316.table aid6316.tbin
6317 19 Title: First tricyclic oximino derivatives as 5-HT3 ligands. Abstract: The design and synthesis of a new type of 5-HT3 ligand with subnanomolar affinity are described. The O-dialkylaminoethyloximinothienopyrrolizine structure was deduced from molecular modeling studies by replacement of an amidine moiety by an oximino one. aid6317.table aid6317.tbin
6318 2 Title: First tricyclic oximino derivatives as 5-HT3 ligands. Abstract: The design and synthesis of a new type of 5-HT3 ligand with subnanomolar affinity are described. The O-dialkylaminoethyloximinothienopyrrolizine structure was deduced from molecular modeling studies by replacement of an amidine moiety by an oximino one. aid6318.table aid6318.tbin
6319 2 Title: First tricyclic oximino derivatives as 5-HT3 ligands. Abstract: The design and synthesis of a new type of 5-HT3 ligand with subnanomolar affinity are described. The O-dialkylaminoethyloximinothienopyrrolizine structure was deduced from molecular modeling studies by replacement of an amidine moiety by an oximino one. aid6319.table aid6319.tbin
6320 2 Title: First tricyclic oximino derivatives as 5-HT3 ligands. Abstract: The design and synthesis of a new type of 5-HT3 ligand with subnanomolar affinity are described. The O-dialkylaminoethyloximinothienopyrrolizine structure was deduced from molecular modeling studies by replacement of an amidine moiety by an oximino one. aid6320.table aid6320.tbin
6321 1 Compound was tested for its affinity towards 5-hydroxytryptamine 3 receptor aid6321.table aid6321.tbin
6322 7 Evaluated for the 5-hydroxytryptamine 3 receptor antagonistic activity in Bezold-Jarisch model expressed as inhibition of the reflex bradycardia induced by an intravenous injection aid6322.table aid6322.tbin
6323 4 Compound was measured for its binding affinity at 5-hydroxytryptamine 3 receptor at a concentration of 10 uM using [3H]BRL-43694 as radioligand aid6323.table aid6323.tbin
6324 7 Title: Electrostatic potential surfaces of 5-HT(3)R agonists suggest accessory cation-pi site adjacent to agonist binding domain. Abstract: Electrostatic potential surface mapping of various aromatic ring systems contained in 5-HT(3)R agonists indicate that some agonists contain an aromatic moiety capable of a favorable cation-pi interaction next to the e-face of pyridine (or its bioisostere). A pharmacophore model has been proposed based on superimposition of two distinct 'aryl' interactions. aid6324.table aid6324.tbin
6325 3 Title: Electrostatic potential surfaces of 5-HT(3)R agonists suggest accessory cation-pi site adjacent to agonist binding domain. Abstract: Electrostatic potential surface mapping of various aromatic ring systems contained in 5-HT(3)R agonists indicate that some agonists contain an aromatic moiety capable of a favorable cation-pi interaction next to the e-face of pyridine (or its bioisostere). A pharmacophore model has been proposed based on superimposition of two distinct 'aryl' interactions. aid6325.table aid6325.tbin
6326 2 Title: Electrostatic potential surfaces of 5-HT(3)R agonists suggest accessory cation-pi site adjacent to agonist binding domain. Abstract: Electrostatic potential surface mapping of various aromatic ring systems contained in 5-HT(3)R agonists indicate that some agonists contain an aromatic moiety capable of a favorable cation-pi interaction next to the e-face of pyridine (or its bioisostere). A pharmacophore model has been proposed based on superimposition of two distinct 'aryl' interactions. aid6326.table aid6326.tbin
6327 4 Title: Electrostatic potential surfaces of 5-HT(3)R agonists suggest accessory cation-pi site adjacent to agonist binding domain. Abstract: Electrostatic potential surface mapping of various aromatic ring systems contained in 5-HT(3)R agonists indicate that some agonists contain an aromatic moiety capable of a favorable cation-pi interaction next to the e-face of pyridine (or its bioisostere). A pharmacophore model has been proposed based on superimposition of two distinct 'aryl' interactions. aid6327.table aid6327.tbin
6328 1 Title: Electrostatic potential surfaces of 5-HT(3)R agonists suggest accessory cation-pi site adjacent to agonist binding domain. Abstract: Electrostatic potential surface mapping of various aromatic ring systems contained in 5-HT(3)R agonists indicate that some agonists contain an aromatic moiety capable of a favorable cation-pi interaction next to the e-face of pyridine (or its bioisostere). A pharmacophore model has been proposed based on superimposition of two distinct 'aryl' interactions. aid6328.table aid6328.tbin
6329 9 Title: Electrostatic potential surfaces of 5-HT(3)R agonists suggest accessory cation-pi site adjacent to agonist binding domain. Abstract: Electrostatic potential surface mapping of various aromatic ring systems contained in 5-HT(3)R agonists indicate that some agonists contain an aromatic moiety capable of a favorable cation-pi interaction next to the e-face of pyridine (or its bioisostere). A pharmacophore model has been proposed based on superimposition of two distinct 'aryl' interactions. aid6329.table aid6329.tbin
6330 1 Title: Electrostatic potential surfaces of 5-HT(3)R agonists suggest accessory cation-pi site adjacent to agonist binding domain. Abstract: Electrostatic potential surface mapping of various aromatic ring systems contained in 5-HT(3)R agonists indicate that some agonists contain an aromatic moiety capable of a favorable cation-pi interaction next to the e-face of pyridine (or its bioisostere). A pharmacophore model has been proposed based on superimposition of two distinct 'aryl' interactions. aid6330.table aid6330.tbin
6331 1 Title: Electrostatic potential surfaces of 5-HT(3)R agonists suggest accessory cation-pi site adjacent to agonist binding domain. Abstract: Electrostatic potential surface mapping of various aromatic ring systems contained in 5-HT(3)R agonists indicate that some agonists contain an aromatic moiety capable of a favorable cation-pi interaction next to the e-face of pyridine (or its bioisostere). A pharmacophore model has been proposed based on superimposition of two distinct 'aryl' interactions. aid6331.table aid6331.tbin
6332 4 Title: Electrostatic potential surfaces of 5-HT(3)R agonists suggest accessory cation-pi site adjacent to agonist binding domain. Abstract: Electrostatic potential surface mapping of various aromatic ring systems contained in 5-HT(3)R agonists indicate that some agonists contain an aromatic moiety capable of a favorable cation-pi interaction next to the e-face of pyridine (or its bioisostere). A pharmacophore model has been proposed based on superimposition of two distinct 'aryl' interactions. aid6332.table aid6332.tbin
6333 1 Title: Electrostatic potential surfaces of 5-HT(3)R agonists suggest accessory cation-pi site adjacent to agonist binding domain. Abstract: Electrostatic potential surface mapping of various aromatic ring systems contained in 5-HT(3)R agonists indicate that some agonists contain an aromatic moiety capable of a favorable cation-pi interaction next to the e-face of pyridine (or its bioisostere). A pharmacophore model has been proposed based on superimposition of two distinct 'aryl' interactions. aid6333.table aid6333.tbin
6334 1 Title: Electrostatic potential surfaces of 5-HT(3)R agonists suggest accessory cation-pi site adjacent to agonist binding domain. Abstract: Electrostatic potential surface mapping of various aromatic ring systems contained in 5-HT(3)R agonists indicate that some agonists contain an aromatic moiety capable of a favorable cation-pi interaction next to the e-face of pyridine (or its bioisostere). A pharmacophore model has been proposed based on superimposition of two distinct 'aryl' interactions. aid6334.table aid6334.tbin
6335 15 Title: Electrostatic potential surfaces of 5-HT(3)R agonists suggest accessory cation-pi site adjacent to agonist binding domain. Abstract: Electrostatic potential surface mapping of various aromatic ring systems contained in 5-HT(3)R agonists indicate that some agonists contain an aromatic moiety capable of a favorable cation-pi interaction next to the e-face of pyridine (or its bioisostere). A pharmacophore model has been proposed based on superimposition of two distinct 'aryl' interactions. aid6335.table aid6335.tbin
6336 1 Title: New benzocycloalkylpiperazines, potent and selective 5-HT1A receptor ligands. Abstract: A series of 1-(benzocycloalkyl)-4-(benzamidolkyl)piperazine derivatives was prepared in order to obtain compounds with a high affinity and selectivity for 5-HT1A receptors. The modifications of aromatic substituents, the length of the alkyl chain, and the size of the ring were explored. Most of N-(1,2,3,4-tetrahydronaphthyl)-N'-(benzamidoethyl)piperazines (32-37) were bound to 5-HT1A receptors in a nan... aid6336.table aid6336.tbin
6337 1 Title: Electrostatic potential surfaces of 5-HT(3)R agonists suggest accessory cation-pi site adjacent to agonist binding domain. Abstract: Electrostatic potential surface mapping of various aromatic ring systems contained in 5-HT(3)R agonists indicate that some agonists contain an aromatic moiety capable of a favorable cation-pi interaction next to the e-face of pyridine (or its bioisostere). A pharmacophore model has been proposed based on superimposition of two distinct 'aryl' interactions. aid6337.table aid6337.tbin
6338 11 Title: Conformationally-restricted analogues and partition coefficients of the 5-HT3 serotonin receptor ligands meta-chlorophenylbiguanide (mCPBG) and meta-chlorophenylguanidine (mCPG). Abstract: The present investigation examined two features of arylbiguanide and arylguanidine 5-HT(3) ligands: conformation and partition coefficients. Several conformationally-constrained analogues of mCPBG (2) and mCPG (11; K(i)=32 nM) were prepared and of these only 2-amino-5-chloro-3,4-dihydroquinazoline (14; ... aid6338.table aid6338.tbin
6339 36 Title: The binding of arylguanidines at 5-HT(3) serotonin receptors: a structure-affinity investigation. Abstract: The 5-HT(3) receptor binding affinities of nine pairs of aryl-substituted arylguanidines and arylbiguanides were examined and the results suggest the likelihood that both classes of agents utilize common receptor binding features. The effects of structural modification were also examined using CoMFA. 1-(3,4,5-Trichlorophenyl)guanidine (5-HT(3) K(i)=0.7 nM) was identified as a very h... aid6339.table aid6339.tbin
6340 1 Title: The binding of arylguanidines at 5-HT(3) serotonin receptors: a structure-affinity investigation. Abstract: The 5-HT(3) receptor binding affinities of nine pairs of aryl-substituted arylguanidines and arylbiguanides were examined and the results suggest the likelihood that both classes of agents utilize common receptor binding features. The effects of structural modification were also examined using CoMFA. 1-(3,4,5-Trichlorophenyl)guanidine (5-HT(3) K(i)=0.7 nM) was identified as a very h... aid6340.table aid6340.tbin
6341 1 Title: 5-HT4 receptor ligands: applications and new prospects. aid6341.table aid6341.tbin
6342 1 Title: 5-HT4 receptor ligands: applications and new prospects. aid6342.table aid6342.tbin
6343 60 Title: Structure-activity relationships for the binding of arylpiperazines and arylbiguanides at 5-HT3 serotonin receptors. Abstract: Arylpiperazines are nonselective agents that bind at 5-HT3 serotonin receptors with moderate to high affinity, whereas 1-phenylbiguanide is a low-affinity but more selective 5-HT3 agonist. In an attempt to enhance the affinity of the latter agent, and working with the assumption that similarities might exist between the binding of the two types of agents, we formu... aid6343.table aid6343.tbin
6344 7 Title: The 5-HT3 antagonist tropisetron (ICS 205-930) is a potent and selective alpha7 nicotinic receptor partial agonist. Abstract: The 5-HT3 receptor antagonist tropisetron (ICS 205-930) was found to be a potent and selective partial agonist at alpha7 nicotinic receptors. Two other 5-HT3 receptor antagonists, ondansetron and LY-278,584, were found to lack high affinity at the alpha7 nicotinic receptor. Quinuclidine analogues (1 and 2) of tropisetron were also found to be potent and selective p... aid6344.table aid6344.tbin
6345 1 Title: 5-HT4 receptor ligands: applications and new prospects. aid6345.table aid6345.tbin
6346 1 Title: First tricyclic oximino derivatives as 5-HT3 ligands. Abstract: The design and synthesis of a new type of 5-HT3 ligand with subnanomolar affinity are described. The O-dialkylaminoethyloximinothienopyrrolizine structure was deduced from molecular modeling studies by replacement of an amidine moiety by an oximino one. aid6346.table aid6346.tbin
6347 1 Title: First tricyclic oximino derivatives as 5-HT3 ligands. Abstract: The design and synthesis of a new type of 5-HT3 ligand with subnanomolar affinity are described. The O-dialkylaminoethyloximinothienopyrrolizine structure was deduced from molecular modeling studies by replacement of an amidine moiety by an oximino one. aid6347.table aid6347.tbin
6348 1 Title: First tricyclic oximino derivatives as 5-HT3 ligands. Abstract: The design and synthesis of a new type of 5-HT3 ligand with subnanomolar affinity are described. The O-dialkylaminoethyloximinothienopyrrolizine structure was deduced from molecular modeling studies by replacement of an amidine moiety by an oximino one. aid6348.table aid6348.tbin
6349 1 Title: First tricyclic oximino derivatives as 5-HT3 ligands. Abstract: The design and synthesis of a new type of 5-HT3 ligand with subnanomolar affinity are described. The O-dialkylaminoethyloximinothienopyrrolizine structure was deduced from molecular modeling studies by replacement of an amidine moiety by an oximino one. aid6349.table aid6349.tbin
6350 7 Binding affinity for the 5-hydroxytryptamine 3 receptor was evaluated in vitro by examining its ability to displace [3H]-BRL 43694. aid6350.table aid6350.tbin
6351 1 Binding affinity towards 5-hydroxytryptamine 3 receptor aid6351.table aid6351.tbin
6352 1 Compound was evaluated for binding affinity against 5-hydroxytryptamine 3 receptor using radioligand binding assay aid6352.table aid6352.tbin
6353 1 Title: (1-Butyl-4-piperidinyl)methyl 8-amino-7-chloro-1,4-benzodioxane-5-carboxylate hydrochloride: a highly potent and selective 5-HT4 receptor antagonist derived from metoclopramide. aid6353.table aid6353.tbin
6354 1 Title: (1-Butyl-4-piperidinyl)methyl 8-amino-7-chloro-1,4-benzodioxane-5-carboxylate hydrochloride: a highly potent and selective 5-HT4 receptor antagonist derived from metoclopramide. aid6354.table aid6354.tbin
6355 35 Title: Novel and selective partial agonists of 5-HT3 receptors. 2. Synthesis and biological evaluation of piperazinopyridopyrrolopyrazines, piperazinopyrroloquinoxalines, and piperazinopyridopyrroloquinoxalines. Abstract: In continuation of our previous work on piperazinopyrrolothienopyrazine derivatives, three series of piperazinopyridopyrrolopyrazines, piperazinopyrroloquinoxalines, and piperazinopyridopyrroloquinoxalines were prepared and evaluated as 5-HT3 receptor ligands. The chemical modi... aid6355.table aid6355.tbin
6357 47 Title: Novel selective and partial agonists of 5-HT3 receptors. Part 1. Synthesis and biological evaluation of piperazinopyrrolothienopyrazines. Abstract: A series of piperazinopyrrolo[1,2-a]thieno[3,2-e]- and -[2,3-e]pyrazine derivatives were prepared and evaluated in order to determine the necessary requirements for high affinity on the 5-HT3 receptors and high selectivity versus other 5-HT receptor subtypes. Various substitutions on the piperazine and the thiophene ring of the pyrrolothienopy... aid6357.table aid6357.tbin
6358 2 Title: Selective, orally active 5-HT1D receptor agonists as potential antimigraine agents. aid6358.table aid6358.tbin
6359 1 Compound was tested for its affinity towards 5-hydroxytryptamine 3 receptor aid6359.table aid6359.tbin
6360 3 Title: Novel spiropiperidines as highly potent and subtype selective sigma-receptor ligands. Part 1. Abstract: A series of spiro[[2]benzopyran-1,4'-piperidines] and spiro[[2]benzofuran-1,4'-piperidines] of general structure 10 is prepared, and the affinity for sigma(1)- and sigma(2)-receptors is investigated by means of radioligand binding assays. The synthesis of the spiropiperidines 14a and 23 proceeds from bromine/lithium exchange of the bromoacetals 11 and 21, addition to piperidin-4-one 12a... aid6360.table aid6360.tbin
6361 1 Title: Phosphinic acid analogues of GABA. 1. New potent and selective GABAB agonists. Abstract: The antispastic agent and muscle relaxant baclofen 1 is a potent and selective agonist for bicuculline-insensitive GABAB receptors. For many years efforts to obtain superior GABAB agonists were unsuccessful. We describe the syntheses and biological properties of two new series of GABAB agonists, the best compounds of which are more potent than baclofen in vitro and in vivo. They were obtained by repla... aid6361.table aid6361.tbin
6362 1 Title: Phosphinic acid analogues of GABA. 2. Selective, orally active GABAB antagonists. Abstract: In 1987, 25 years after the synthesis of the potent and selective GABAB agonist baclofen (1), Kerr et al. described the first GABAB antagonist phaclofen 2. However, phaclofen and structurally similar derivatives 3-5 did not cross the blood-brain barrier and hence were inactive in vivo as central nervous system agents. As a consequence, the therapeutic potential of GABAB antagonists remained unclear... aid6362.table aid6362.tbin
6363 1 Title: Phosphinic acid analogues of GABA. 1. New potent and selective GABAB agonists. Abstract: The antispastic agent and muscle relaxant baclofen 1 is a potent and selective agonist for bicuculline-insensitive GABAB receptors. For many years efforts to obtain superior GABAB agonists were unsuccessful. We describe the syntheses and biological properties of two new series of GABAB agonists, the best compounds of which are more potent than baclofen in vitro and in vivo. They were obtained by repla... aid6363.table aid6363.tbin
6364 7 Title: Thiazole as a carbonyl bioisostere. A novel class of highly potent and selective 5-HT3 receptor antagonists. Abstract: A novel structural class of highly potent and selective 5-HT3 receptor antagonists is described. The compounds in this new series contain a thiazole moiety linking an aromatic group and a nitrogen-containing basic region; the thiazole group appears to be acting as a carbonyl bioisostere in this system. An optimized member of this series, 4-(2-methoxyphenyl)-2-[[4(5)-methy... aid6364.table aid6364.tbin
6365 1 Title: 2-Substituted tryptamines: agents with selectivity for 5-HT(6) serotonin receptors. Abstract: Several 2-alkyl-5-methoxytryptamine analogues were designed and prepared as potential 5-HT(6) serotonin agonists. It was found that 5-HT(6) receptors accommodate small alkyl substituents at the indole 2-position and that the resulting compounds can bind with affinities comparable to that of serotonin. In particular, 2-ethyl-5-methoxy-N, N-dimethyltryptamine (8) binds with high affinity at human 5... aid6365.table aid6365.tbin
6366 1 Title: 2-Substituted tryptamines: agents with selectivity for 5-HT(6) serotonin receptors. Abstract: Several 2-alkyl-5-methoxytryptamine analogues were designed and prepared as potential 5-HT(6) serotonin agonists. It was found that 5-HT(6) receptors accommodate small alkyl substituents at the indole 2-position and that the resulting compounds can bind with affinities comparable to that of serotonin. In particular, 2-ethyl-5-methoxy-N, N-dimethyltryptamine (8) binds with high affinity at human 5... aid6366.table aid6366.tbin
6367 1 Title: 5-HT4 receptor ligands: applications and new prospects. aid6367.table aid6367.tbin
6368 1 Compound was tested for its binding affinity for the 5-hydroxytryptamine 3 receptor aid6368.table aid6368.tbin
6369 4 Title: An initial three-component pharmacophore for specific serotonin-3 receptor ligands. Abstract: With computer modeling, an initial three-component pharmacophore for specific 5-HT3 receptor ligands ICS-205-930 (1), ondansetron (2), zacopride (3), and 3-[2-(guanidinylmethyl)-4-thiazolyl]indol (4) has been identified. Two parts represent electrostatic interactions, one as a hydrogen-bond-donating interaction and the other as a hydrogen-bond-accepting interaction. The third part is represented ... aid6369.table aid6369.tbin
6370 1 Title: Synthesis and structure-activity relationships of a new model of arylpiperazines. 5. Study of the physicochemical influence of the pharmacophore on 5-HT(1a)/alpha(1)-adrenergic receptor affinity: synthesis of a new derivative with mixed 5-HT(1a)/d(2) antagonist properties. Abstract: In this paper we have designed and synthesized a test series of 32 amide arylpiperazine derivatives VI in order to gain insight into the physicochemical influence of the pharmacophores of 5-HT(1A) and alpha(1)... aid6370.table aid6370.tbin
6371 2 Title: A novel and selective 5-HT2 receptor agonist with ocular hypotensive activity: (S)-(+)-1-(2-aminopropyl)-8,9-dihydropyrano[3,2-e]indole. Abstract: Serotonin 5-HT2 receptor agonists have recently been shown to be effective in lowering intraocular pressure in nonhuman primates and represent a potential new class of antiglaucoma agents. As part of an effort to identify new selective agonists at this receptor, we have found that (S)-(+)-1-(2-aminopropyl)-8,9-dihydropyrano[3,2-e]indole (AL-373... aid6371.table aid6371.tbin
6372 1 Title: 5-HT4 receptor ligands: applications and new prospects. aid6372.table aid6372.tbin
6373 1 Title: Homoazanicotine: a structure-affinity study for nicotinic acetylcholine (nACh) receptor binding. Abstract: We have recently identified 3-[(1-methyl)-4,5-dihydro-1H-imidazol-2-yl)methyl]pyridine (homoazanicotine, 8) as a novel nicotinic acetylcholinergic (nACh) receptor ligand. In the present investigation, after we determined that 8 binds selectively at nicotinic (K(i) = 7.8 nM) vs muscarinic (K(i) &gt; 10,000 nM) acetylcholinergic receptors, we examined its structure-affinity relationshi... aid6373.table aid6373.tbin
6374 5 Binding affinity for 5-hydroxytryptamine 3 receptor by displacement of [3H](R)-zacopride from ondansetron-treated NG-108-15 cell membranes aid6374.table aid6374.tbin
6375 4 Binding affinity for 5-hydroxytryptamine 3 receptor by displacement of [3H]-BRL 43694 from NG-108-15 cell membranes aid6375.table aid6375.tbin
6376 1 Title: Evolution of a novel series of [(N,N-dimethylamino)propyl]- and piperazinylbenzanilides as the first selective 5-HT1D antagonists. aid6376.table aid6376.tbin
6377 1 Title: 5-HT(3)R binding of lerisetron: an interdisciplinary approach to drug-Receptor interactions. Abstract: The design, synthesis, and use of lerisetron-based molecular probes to investigate the 5-HT(3)R binding site are described. A SAR study, which involved distance and electronic parameter modifications of lerisetron's N-benzyl group, resulted in the discovery of a partial agonist. aid6377.table aid6377.tbin
6378 1 Title: 5-HT(3)R binding of lerisetron: an interdisciplinary approach to drug-Receptor interactions. Abstract: The design, synthesis, and use of lerisetron-based molecular probes to investigate the 5-HT(3)R binding site are described. A SAR study, which involved distance and electronic parameter modifications of lerisetron's N-benzyl group, resulted in the discovery of a partial agonist. aid6378.table aid6378.tbin
6379 8 Title: 5-HT(3)R binding of lerisetron: an interdisciplinary approach to drug-Receptor interactions. Abstract: The design, synthesis, and use of lerisetron-based molecular probes to investigate the 5-HT(3)R binding site are described. A SAR study, which involved distance and electronic parameter modifications of lerisetron's N-benzyl group, resulted in the discovery of a partial agonist. aid6379.table aid6379.tbin
6380 1 Title: Activity of alpha7-selective agonists at nicotinic and serotonin 5HT3 receptors expressed in Xenopus oocytes. Abstract: Nicotinic receptors containing alpha7 subunits are widely distributed in the central nervous system and are thought to be involved in a number of functions. However, it has been difficult to study alpha7-containing receptors in vivo because of a paucity of selective agonists. A new spirooxazolidinone compound, AR-R17779, was recently described as potent agonist at alpha7... aid6380.table aid6380.tbin
6381 1 Title: Activity of alpha7-selective agonists at nicotinic and serotonin 5HT3 receptors expressed in Xenopus oocytes. Abstract: Nicotinic receptors containing alpha7 subunits are widely distributed in the central nervous system and are thought to be involved in a number of functions. However, it has been difficult to study alpha7-containing receptors in vivo because of a paucity of selective agonists. A new spirooxazolidinone compound, AR-R17779, was recently described as potent agonist at alpha7... aid6381.table aid6381.tbin
6382 1 Title: Activity of alpha7-selective agonists at nicotinic and serotonin 5HT3 receptors expressed in Xenopus oocytes. Abstract: Nicotinic receptors containing alpha7 subunits are widely distributed in the central nervous system and are thought to be involved in a number of functions. However, it has been difficult to study alpha7-containing receptors in vivo because of a paucity of selective agonists. A new spirooxazolidinone compound, AR-R17779, was recently described as potent agonist at alpha7... aid6382.table aid6382.tbin
6383 8 5-hydroxytryptamine 4 receptor agonist activity as percent maximum 5-HT effect in response to electrical stimulation in male guinea pig ileum aid6383.table aid6383.tbin
6384 1 5-hydroxytryptamine 4 receptor agonist activity expressed as the concentration which gave a 50% increase in the response to the electrical stimulation in male guinea pig ileum aid6384.table aid6384.tbin
6385 23 Title: New esters of 4-amino-5-chloro-2-methoxybenzoic acid as potent agonists and antagonists for 5-HT4 receptors. Abstract: A number of benzoates derived from 4-amino-5-chloro-2-methoxybenzoic acid and substituted 1-piperidineethanol were synthesized and found to be potent 5-HT4 receptor agonists in the electrically-stimulated myenteric plexus and longitudinal muscle of the guinea pig ileum and the rat esophagus muscle. Monosubstitution of the piperidine ring with Me, OH, NH-Ac, or CONH2 group... aid6385.table aid6385.tbin
6386 3 Title: 5-HT4 receptor ligands: applications and new prospects. aid6386.table aid6386.tbin
6387 5 Title: 5-HT4 receptor ligands: applications and new prospects. aid6387.table aid6387.tbin
6388 1 Title: 5-HT4 receptor ligands: applications and new prospects. aid6388.table aid6388.tbin
6389 1 Title: Synthesis and structure-affinity relationships of 1-[omega-(4-aryl-1-piperazinyl)alkyl]-1-aryl ketones as 5-HT(7) receptor ligands. Abstract: Structural requirements for 5-HT(7) receptor affinity and selectivity over that for the 5-HT(1A) receptor were studied on a series of 1-[omega-(4-aryl-1-piperazinyl)alkyl]-1-aryl ketones. The presence of a hydroxy or methoxy substituent on aryl ketone moiety, alkyl chain length, and the nature of N-1-piperazine substituent were explored. 6-[4-(3-Ben... aid6389.table aid6389.tbin
6390 1 Title: 8-acenaphthen-1-yl-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one derivatives as orphanin FQ receptor agonists. Abstract: A series of 8-acenaphthen-1-yl-1-phenyl-1,3,8-triaza-spiro[4.5]decan+ ++-4-one derivatives 1 was studied with respect to the binding affinity for the orphanin FQ (OFQ) and opioid (mu, kappa, delta) receptors. The influence of stereochemistry as well as the substitution pattern of the phenyl-ring in position 1 on the affinity for the orphanin FQ receptor and selectivity to... aid6390.table aid6390.tbin
6391 2 Title: Structure-activity relationships in potentially hallucinogenic N,N-dialkyltryptamines substituted in the benzene moiety. Abstract: A series of N,N-dialkyltryptamines with methylthio or methylenedioxy substituents in the 4, 5, and 6 positions and methyl or isopropyl on the side-chain nitrogen has been synthesized. The behavioral pharmacology of these compounds showed them to possess Bovet-Gatti profiles characteristic of hallucinogens, and the 5-methylthio congener was the most potent. Bin... aid6391.table aid6391.tbin
6392 4 Title: Structure-activity relationships in potentially hallucinogenic N,N-dialkyltryptamines substituted in the benzene moiety. Abstract: A series of N,N-dialkyltryptamines with methylthio or methylenedioxy substituents in the 4, 5, and 6 positions and methyl or isopropyl on the side-chain nitrogen has been synthesized. The behavioral pharmacology of these compounds showed them to possess Bovet-Gatti profiles characteristic of hallucinogens, and the 5-methylthio congener was the most potent. Bin... aid6392.table aid6392.tbin
6393 1 Title: Differential blockade of muscarinic receptor subtypes by polymethylene tetraamines. Novel class of selective antagonists of cardiac M-2 muscarinic receptors. Abstract: Several N,N'-bis[6-[(2-methoxybenzyl)amino]hexyl]-1, omega-alkanediamine tetrahydrochlorides were synthesized and evaluated for their blocking activity on muscarinic receptors in guinea pig atria and rat ileum and bladder. The results were compared with those obtained for the classical nonselective muscarinic antagonist atr... aid6393.table aid6393.tbin
6394 2 Title: Structure-activity relationships in potentially hallucinogenic N,N-dialkyltryptamines substituted in the benzene moiety. Abstract: A series of N,N-dialkyltryptamines with methylthio or methylenedioxy substituents in the 4, 5, and 6 positions and methyl or isopropyl on the side-chain nitrogen has been synthesized. The behavioral pharmacology of these compounds showed them to possess Bovet-Gatti profiles characteristic of hallucinogens, and the 5-methylthio congener was the most potent. Bin... aid6394.table aid6394.tbin
6395 1 Title: Structure-activity relationships in potentially hallucinogenic N,N-dialkyltryptamines substituted in the benzene moiety. Abstract: A series of N,N-dialkyltryptamines with methylthio or methylenedioxy substituents in the 4, 5, and 6 positions and methyl or isopropyl on the side-chain nitrogen has been synthesized. The behavioral pharmacology of these compounds showed them to possess Bovet-Gatti profiles characteristic of hallucinogens, and the 5-methylthio congener was the most potent. Bin... aid6395.table aid6395.tbin
6396 1 Title: New selective and potent 5-HT(1B/1D) antagonists: chemistry and pharmacological evaluation of N-piperazinylphenyl biphenylcarboxamides and biphenylsulfonamides. Abstract: A series of new analogues of N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl] 2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)biphenyl-4-carboxamide (1; GR127935) as potent and selective 5-HT(1B/1D) antagonists were synthesized and evaluated pharmacologically. Their receptor binding profiles were comparable to that of 1. The 1... aid6396.table aid6396.tbin
6397 9 Title: New selective and potent 5-HT(1B/1D) antagonists: chemistry and pharmacological evaluation of N-piperazinylphenyl biphenylcarboxamides and biphenylsulfonamides. Abstract: A series of new analogues of N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl] 2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)biphenyl-4-carboxamide (1; GR127935) as potent and selective 5-HT(1B/1D) antagonists were synthesized and evaluated pharmacologically. Their receptor binding profiles were comparable to that of 1. The 1... aid6397.table aid6397.tbin
6398 1 Title: New arylpiperazine derivatives as antagonists of the human cloned 5-HT(4) receptor isoforms. Abstract: New derivatives of arylpiperazine 9 were designed from ML 10302, a potent 5-HT(4) receptor agonist in the gastrointestinal system. Compounds were synthesized by condensation of a number of available arylpiperazines or heteroarylpiperazines with 2-bromoethyl 4-amino-5-chloro-2-methoxybenzoate. They were evaluated in binding assays on the recently cloned human 5-HT(4(e)) isoform stably exp... aid6398.table aid6398.tbin
6399 1 Title: New arylpiperazine derivatives as antagonists of the human cloned 5-HT(4) receptor isoforms. Abstract: New derivatives of arylpiperazine 9 were designed from ML 10302, a potent 5-HT(4) receptor agonist in the gastrointestinal system. Compounds were synthesized by condensation of a number of available arylpiperazines or heteroarylpiperazines with 2-bromoethyl 4-amino-5-chloro-2-methoxybenzoate. They were evaluated in binding assays on the recently cloned human 5-HT(4(e)) isoform stably exp... aid6399.table aid6399.tbin
6400 4 Title: Substituted furo[3,2-b]pyridines: novel bioisosteres of 5-HT 1F receptor agonists. Abstract: Synthesis and evaluation of a series of 2,3,5- and 3,5-substituted furo[3,2-b]pyridines were undertaken in order to investigate their utility as bioisosteres of 5-HT(1F) receptor agonist indole analogues, 1-3. The replacement proved to be effective, providing compounds with similar 5-HT(1F) receptor affinity and improved selectivity when compared with the indole analogues. Through these studies we... aid6400.table aid6400.tbin
6401 1 Title: New arylpiperazine derivatives as antagonists of the human cloned 5-HT(4) receptor isoforms. Abstract: New derivatives of arylpiperazine 9 were designed from ML 10302, a potent 5-HT(4) receptor agonist in the gastrointestinal system. Compounds were synthesized by condensation of a number of available arylpiperazines or heteroarylpiperazines with 2-bromoethyl 4-amino-5-chloro-2-methoxybenzoate. They were evaluated in binding assays on the recently cloned human 5-HT(4(e)) isoform stably exp... aid6401.table aid6401.tbin
6402 1 Title: Synthesis and biological evaluation of [125I]- and [123I]-4-iododexetimide, a potent muscarinic cholinergic receptor antagonist. Abstract: A series of halogenated racemic analogues of dexetimide (1) was synthesized and their affinity for the muscarinic cholinergic receptor measured. One analogue, 4-iododexetimide (21), was efficiently labeled with 125I and 123I at high specific activity. In vitro binding studies and in vivo biodistribution studies suggest that 123I-labeled 21 may be usefu... aid6402.table aid6402.tbin
6403 1 Title: Identification, synthesis, and characterization of a unique class of N-methyl-D-aspartate antagonists. The 6,11-ethanobenzo[b]quinolizinium cation. Abstract: A series of novel N-methyl-D-aspartate antagonists acting at the phencyclidine site has been identified. Compound 2 has a Ki = 8 +/- 1 nM (vs [3H]thienylcyclidine, [3H]TCP) as a mixture of enantiomers. Resolution and further testing indicate that (-)-2, Ki = 4 +/- 0.7 nM, is a potent and selective TCP site ligand with neuroprotective... aid6403.table aid6403.tbin
6404 1 Title: Behavioral and serotonin receptor properties of 4-substituted derivatives of the hallucinogen 1-(2,5-dimethoxyphenyl)-2-aminopropane. Abstract: The serotonin (5-HT) receptor affinities and behavioral (discriminative stimulus) properties of a series of 4-substituted derivatives of 1-(2,5-dimethoxyphenyl)-2-aminopropanes (2,5-DMA) were investigated. The substituents at the 4-position included H, OMe, OEt, Me, Et, F, Br, I, and NO2. Substituent lipophilicities (pi values) of these functional... aid6404.table aid6404.tbin
6405 17 Title: Behavioral and serotonin receptor properties of 4-substituted derivatives of the hallucinogen 1-(2,5-dimethoxyphenyl)-2-aminopropane. Abstract: The serotonin (5-HT) receptor affinities and behavioral (discriminative stimulus) properties of a series of 4-substituted derivatives of 1-(2,5-dimethoxyphenyl)-2-aminopropanes (2,5-DMA) were investigated. The substituents at the 4-position included H, OMe, OEt, Me, Et, F, Br, I, and NO2. Substituent lipophilicities (pi values) of these functional... aid6405.table aid6405.tbin
6406 44 Title: Serotonin receptor affinities of psychoactive phenalkylamine analogues. Abstract: Employing a rat fundus model, the serotonin (5-HT) receptor affinities of 45 phenalkylamine analogues were determined. Phenethylamine and phenylisopropylamine possess relatively low receptor affinities; in general, mono-, di-, and trimethoxylation enhance affinity. Of the disubstituted compounds, methoxyl groups at the 2 and 5 positions are optimal for imparting a high affinity. 4-Methylation, 4-ethylation a... aid6406.table aid6406.tbin
6407 14 Title: Serotonin receptor affinity of cathinone and related analogues. Abstract: A series of cathinone (alpha-aminopropiophenone) analogues was examined using the isolated rat fundus preparation. (S)-(-)-Cathinone possesses twice the serotonin receptor affinity of (+/-)-cathinone and four times the affinity of racemic amphetamine. Several derivatives of cathinone were found to either possess a lower affinity than the parent compound or did not interact with the receptors in a competitive manner.... aid6407.table aid6407.tbin
6408 9 Title: Serotonin receptor affinity of cathinone and related analogues. Abstract: A series of cathinone (alpha-aminopropiophenone) analogues was examined using the isolated rat fundus preparation. (S)-(-)-Cathinone possesses twice the serotonin receptor affinity of (+/-)-cathinone and four times the affinity of racemic amphetamine. Several derivatives of cathinone were found to either possess a lower affinity than the parent compound or did not interact with the receptors in a competitive manner.... aid6408.table aid6408.tbin
6409 1 Title: Demethyl analogues of psychoactive methoxyphenalkylamines: synthesis and serotonin receptor affinities. Abstract: Mono-O-demethylation of several 2,5-dimethoxyphenalkylamines increases their affinity for the serotonin receptors of the isolated rat fundus preparation. In several instances, demethylation of methoxyphenalkylamines results in compounds which produce an antagonism which is not of a competitive nature. With respect to 1-(2,5-dimethoxy-4-methylphenyl)-2-aminopropane (DOM), demet... aid6409.table aid6409.tbin
6410 1 Title: Demethyl analogues of psychoactive methoxyphenalkylamines: synthesis and serotonin receptor affinities. Abstract: Mono-O-demethylation of several 2,5-dimethoxyphenalkylamines increases their affinity for the serotonin receptors of the isolated rat fundus preparation. In several instances, demethylation of methoxyphenalkylamines results in compounds which produce an antagonism which is not of a competitive nature. With respect to 1-(2,5-dimethoxy-4-methylphenyl)-2-aminopropane (DOM), demet... aid6410.table aid6410.tbin
6411 1 Title: Demethyl analogues of psychoactive methoxyphenalkylamines: synthesis and serotonin receptor affinities. Abstract: Mono-O-demethylation of several 2,5-dimethoxyphenalkylamines increases their affinity for the serotonin receptors of the isolated rat fundus preparation. In several instances, demethylation of methoxyphenalkylamines results in compounds which produce an antagonism which is not of a competitive nature. With respect to 1-(2,5-dimethoxy-4-methylphenyl)-2-aminopropane (DOM), demet... aid6411.table aid6411.tbin
6412 8 Title: Studies on several 7-substituted N,N-dimethyltryptamines. Abstract: Several 7-substituted derivatives of N,N-dimethyltryptamine (DMT) were prepared and evaluated in the rat fundus serotonin receptor assay and in a behavioral (discriminative stimulus) assay in rats. Both 7-Me- and 5-OMe-7-Me-DMT possess a higher pA2, and 5,7-(OMe)2-DMT a lower pA2, than that of DMT itself. Like DMT, all three of these compounds produce behavioral effects in rats which are similar to those of the hallucinog... aid6412.table aid6412.tbin
6413 2 Title: Studies on several 7-substituted N,N-dimethyltryptamines. Abstract: Several 7-substituted derivatives of N,N-dimethyltryptamine (DMT) were prepared and evaluated in the rat fundus serotonin receptor assay and in a behavioral (discriminative stimulus) assay in rats. Both 7-Me- and 5-OMe-7-Me-DMT possess a higher pA2, and 5,7-(OMe)2-DMT a lower pA2, than that of DMT itself. Like DMT, all three of these compounds produce behavioral effects in rats which are similar to those of the hallucinog... aid6413.table aid6413.tbin
6414 1 Title: Benzisoxazole- and benzisothiazole-3-carboxamides as potential atypical antipsychotic agents. Abstract: A series of benzisoxazole- and benzisothiazole-3-carboxamides has been prepared and tested for potential antipsychotic activity. In general, the compounds showed an affinity for dopamine D2 and serotonin 5HT2A and 5HT1A receptors. Several members of this series have demonstrated activity in animal models predictive of potential antipsychotic activity. In addition, compounds 18, 19, 22, ... aid6414.table aid6414.tbin
6415 18 Title: Synthesis and transporter binding properties of bridged piperazine analogues of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-phenylpropyl)piperazine (GBR 12909). Abstract: A series of analogues related to 1-[2-(diphenylmethoxy)ethyl]-4-(3-phenylpropyl)piperazine (2) and 1- inverted question mark2-[bis(4-fluorophenyl)methoxy]ethyl inverted question mark-4-(3-phenylpropyl)piperazine (3) (GBR 12935 and GBR 12909, respectively), in which the piperazine moiety was replaced by bridged piperazin... aid6415.table aid6415.tbin
6416 2 Title: Synthesis and evaluation of a novel series of N,N-dimethylisotryptamines. Abstract: A novel series of N,N-dimethylisotryptamine (isoDMT) derivatives, i.e., derivatives of 1-[2-(dimethylamino)ethyl]indole, was prepared and found to be isosteric with their corresponding N,N-dimethyltryptamine (DMT) counterparts with respect to serotonin receptor (rat fundus) affinity. Whereas the isoDMT derivatives possessed a greater affinity than did their corresponding DMT derivatives, they were relative... aid6416.table aid6416.tbin
6417 1 Title: Buspirone analogues. 2. Structure-activity relationships of aromatic imide derivatives. Abstract: Several analogues of the novel anxiolytic buspirone were synthesized and evaluated in vivo for tranquilizing activity and their ability to reverse neuroleptic-induced catalepsy. The in vitro binding affinities of these compounds were also examined for both the alpha 1 and dopamine D2 receptor systems. The general structure-activity relationships of this series highlight compounds 17, 21, and ... aid6417.table aid6417.tbin
6418 7 Title: Development of predictive retention-activity relationship models of tricyclic antidepressants by micellar liquid chromatography. Abstract: The distribution of tricyclic antidepressants from plasma to brain, where these drugs exert their main clinical action, and other organs is related to transport events across the cell membranes of the different tissues. It could be expected that all the molecular features that condition the transport processes (mainly hydrophobicity and molar total cha... aid6418.table aid6418.tbin
6419 1 Title: Synthesis and transporter binding properties of bridged piperazine analogues of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-phenylpropyl)piperazine (GBR 12909). Abstract: A series of analogues related to 1-[2-(diphenylmethoxy)ethyl]-4-(3-phenylpropyl)piperazine (2) and 1- inverted question mark2-[bis(4-fluorophenyl)methoxy]ethyl inverted question mark-4-(3-phenylpropyl)piperazine (3) (GBR 12935 and GBR 12909, respectively), in which the piperazine moiety was replaced by bridged piperazin... aid6419.table aid6419.tbin
6420 17 Title: Synthesis and transporter binding properties of bridged piperazine analogues of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-phenylpropyl)piperazine (GBR 12909). Abstract: A series of analogues related to 1-[2-(diphenylmethoxy)ethyl]-4-(3-phenylpropyl)piperazine (2) and 1- inverted question mark2-[bis(4-fluorophenyl)methoxy]ethyl inverted question mark-4-(3-phenylpropyl)piperazine (3) (GBR 12935 and GBR 12909, respectively), in which the piperazine moiety was replaced by bridged piperazin... aid6420.table aid6420.tbin
6421 13 Title: Effect of modifications of the alkylpiperazine moiety of trazodone on 5HT2A and alpha1 receptor binding affinity. Abstract: A series of triazolopyridine derivatives (compounds 2a-l) were synthesized in order to explore the effect of modifications of the alkylpiperazine moiety of trazodone (fragment A) on binding affinity for 5HT2A and alpha1 receptors. All of the synthesized compounds show a decrease of affinity for both 5HT2A and alpha1 receptors, as compared to trazodone, with the excep... aid6421.table aid6421.tbin
6422 1 Title: Cycloalkyl[b][1,4]benzodiazepinoindoles are agonists at the human 5-HT2C receptor. Abstract: Evaluation of selected compounds from our Corporate Compound Library in a human 5-HT(2C) receptor binding assay led to the discovery of WAY-629, a cyclohexyl[b][1,4]benzodiazepinoindole (K(i) 56 nM, E(max) 90%), which is selective for the 5-HT(2C) receptor versus other serotonin receptor subtypes, and dopamine, histamine, adrenergic, and muscarinic receptors. In addition, WAY-629 was active in viv... aid6422.table aid6422.tbin
6423 12 Title: Synthesis of methylphenidate analogues and their binding affinities at dopamine and serotonin transport sites. Abstract: The rhodium(II)-catalyzed intermolecular C-H insertion of methyl aryldiazoacetates with either N-Boc-piperidine or N-Boc-pyrrolidine followed by deprotection with trifluoroacetic acid is a very direct method for the synthesis of methylphenidate analogues. By using either dirhodium tetraacetate or dirhodium tetraprolinate derivatives as catalyst, either the racemic or en... aid6423.table aid6423.tbin
6424 2 Title: Development of high-affinity 5-HT3 receptor antagonists. Structure-affinity relationships of novel 1,7-annelated indole derivatives. Abstract: On the basis of the structures of ondansetron and GR 65,630, its ring-opened C-linked methylimidazole analogue, novel 1,7-annelated indole derivatives were synthesized as potential 5-HT3 antagonists. Receptor binding studies show that all compounds display a high affinity for the 5-HT3 receptors. In both series annelation results in compounds being... aid6424.table aid6424.tbin
6425 1 Affinity against 5-hydroxytryptamine receptor was determined aid6425.table aid6425.tbin
6426 1 Affinity against 5-hydroxytryptamine receptor was determined in rat stomach fundus strip aid6426.table aid6426.tbin
6427 3 Title: Synthesis and biological activity of 2-carbomethoxy-3-catechol-8-azabicyclo[3.2.1]octanes. Abstract: Cocaine inhibits the dopamine transporter and the consequent elevation of dopamine is thought to contribute to the addictive properties of cocaine. Tropane analogues of cocaine, targeted to the dopamine transporter (DAT), are a significant focus of drug design for cocaine addiction medications. Herein, we report the function of the ortho hydroxy substituents in dopamine with respect to the... aid6427.table aid6427.tbin
6428 2 Title: Synthesis and biological activity of 2-carbomethoxy-3-catechol-8-azabicyclo[3.2.1]octanes. Abstract: Cocaine inhibits the dopamine transporter and the consequent elevation of dopamine is thought to contribute to the addictive properties of cocaine. Tropane analogues of cocaine, targeted to the dopamine transporter (DAT), are a significant focus of drug design for cocaine addiction medications. Herein, we report the function of the ortho hydroxy substituents in dopamine with respect to the... aid6428.table aid6428.tbin
6429 1 Title: A new series of M3 muscarinic antagonists based on the 4-amino-piperidine scaffold. Abstract: A series of 4-amino-piperidine containing molecules have been synthesized and structure-affinity relationship toward the M3-muscarinic receptor has been investigated. Chemical modulations provided molecules with K(i) for the human M3-R up to 1 nM with variable selectivity (3- to 40-fold) over the human M2-R. Compounds 2 (pA(2)=8.3, 8.6) demonstrates in vitro on guinea pig bladder and ileal strips... aid6429.table aid6429.tbin
6430 11 Title: New selective and potent 5-HT(1B/1D) antagonists: chemistry and pharmacological evaluation of N-piperazinylphenyl biphenylcarboxamides and biphenylsulfonamides. Abstract: A series of new analogues of N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl] 2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)biphenyl-4-carboxamide (1; GR127935) as potent and selective 5-HT(1B/1D) antagonists were synthesized and evaluated pharmacologically. Their receptor binding profiles were comparable to that of 1. The 1... aid6430.table aid6430.tbin
6431 1 Title: Development of fluorine-18-labeled 5-HT1A antagonists. Abstract: We have synthesized five fluorinated derivatives of WAY 100635, N-{2-[4-(2-methoxyphenyl)piperazino]ethyl}-N-(2-pyridyl)cyclohe xaneca rboxamide (4a), using various acids in place of the cyclohexanecarboxylic acid (CHCA, 2a) in the reaction scheme. The five acids are 4-fluorobenzoic acid (FB, 2b), 4-fluoro-3-methylbenzoic acid (MeFB, 2c), trans-4-fluorocyclohexanecarboxylic acid (FC, 2d), 4-(fluoromethyl)benzoic acid (FMeB, ... aid6431.table aid6431.tbin
6432 2 Title: Development of fluorine-18-labeled 5-HT1A antagonists. Abstract: We have synthesized five fluorinated derivatives of WAY 100635, N-{2-[4-(2-methoxyphenyl)piperazino]ethyl}-N-(2-pyridyl)cyclohe xaneca rboxamide (4a), using various acids in place of the cyclohexanecarboxylic acid (CHCA, 2a) in the reaction scheme. The five acids are 4-fluorobenzoic acid (FB, 2b), 4-fluoro-3-methylbenzoic acid (MeFB, 2c), trans-4-fluorocyclohexanecarboxylic acid (FC, 2d), 4-(fluoromethyl)benzoic acid (FMeB, ... aid6432.table aid6432.tbin
6433 2 Title: Development of fluorine-18-labeled 5-HT1A antagonists. Abstract: We have synthesized five fluorinated derivatives of WAY 100635, N-{2-[4-(2-methoxyphenyl)piperazino]ethyl}-N-(2-pyridyl)cyclohe xaneca rboxamide (4a), using various acids in place of the cyclohexanecarboxylic acid (CHCA, 2a) in the reaction scheme. The five acids are 4-fluorobenzoic acid (FB, 2b), 4-fluoro-3-methylbenzoic acid (MeFB, 2c), trans-4-fluorocyclohexanecarboxylic acid (FC, 2d), 4-(fluoromethyl)benzoic acid (FMeB, ... aid6433.table aid6433.tbin
6434 1 Title: Evolution of a novel series of [(N,N-dimethylamino)propyl]- and piperazinylbenzanilides as the first selective 5-HT1D antagonists. aid6434.table aid6434.tbin
6435 8 Title: Structure-activity relationships in 1,4-benzodioxan-related compounds. 7. Selectivity of 4-phenylchroman analogues for alpha(1)-adrenoreceptor subtypes. Abstract: WB4101 (1)-related compounds 5-10 were synthesized, and their biological profile at alpha(1)-adrenoreceptor (AR) subtypes and 5-HT(1A) serotoninergic receptors was assessed by binding assays in Chinese hamster ovary and HeLa cell membranes expressing the human cloned receptors. Moreover, their receptor selectivity was further de... aid6435.table aid6435.tbin
6436 1 Title: Structure-activity relationships in 1,4-benzodioxan-related compounds. 7. Selectivity of 4-phenylchroman analogues for alpha(1)-adrenoreceptor subtypes. Abstract: WB4101 (1)-related compounds 5-10 were synthesized, and their biological profile at alpha(1)-adrenoreceptor (AR) subtypes and 5-HT(1A) serotoninergic receptors was assessed by binding assays in Chinese hamster ovary and HeLa cell membranes expressing the human cloned receptors. Moreover, their receptor selectivity was further de... aid6436.table aid6436.tbin
6437 2 Title: A structure-affinity relationship study on derivatives of N-[2-[4-(4-Chlorophenyl)piperazin-1-yl]ethyl]-3-methoxybenzamide, a high-affinity and selective D(4) receptor ligand. Abstract: N-[2-[4-(4-Chlorophenyl)piperazin-1-yl]ethyl]-3-methoxybenzamide (1), a high-affinity and selective dopamine D(4) receptor ligand, was chosen as a lead, and structural modifications were done on its amide bond and on its alkyl chain linking the benzamide moiety to the piperazine ring and by preparing some ... aid6437.table aid6437.tbin
6438 3 Title: A structure-affinity relationship study on derivatives of N-[2-[4-(4-Chlorophenyl)piperazin-1-yl]ethyl]-3-methoxybenzamide, a high-affinity and selective D(4) receptor ligand. Abstract: N-[2-[4-(4-Chlorophenyl)piperazin-1-yl]ethyl]-3-methoxybenzamide (1), a high-affinity and selective dopamine D(4) receptor ligand, was chosen as a lead, and structural modifications were done on its amide bond and on its alkyl chain linking the benzamide moiety to the piperazine ring and by preparing some ... aid6438.table aid6438.tbin
6439 17 Title: A structure-affinity relationship study on derivatives of N-[2-[4-(4-Chlorophenyl)piperazin-1-yl]ethyl]-3-methoxybenzamide, a high-affinity and selective D(4) receptor ligand. Abstract: N-[2-[4-(4-Chlorophenyl)piperazin-1-yl]ethyl]-3-methoxybenzamide (1), a high-affinity and selective dopamine D(4) receptor ligand, was chosen as a lead, and structural modifications were done on its amide bond and on its alkyl chain linking the benzamide moiety to the piperazine ring and by preparing some ... aid6439.table aid6439.tbin
6440 4 Title: Resolved N,N-dialkylated 2-amino-8-hydroxytetralins: stereoselective interactions with 5-HT1A receptors in the brain. Abstract: The enantiomers of the N,N-dimethylamino (1), N,N-diethylamino (2), and N,N-dibutylamino (4) derivatives of 8-hydroxy-2-(dipropylamino)tetralin (8-OH DPAT; 3) have been synthesized. The compounds have been tested for activity at central 5-hydroxytryptamine and dopamine receptors by use of biochemical and behavioral tests in rats. In addition, the ability of the e... aid6440.table aid6440.tbin
6441 1 Title: Resolved N,N-dialkylated 2-amino-8-hydroxytetralins: stereoselective interactions with 5-HT1A receptors in the brain. Abstract: The enantiomers of the N,N-dimethylamino (1), N,N-diethylamino (2), and N,N-dibutylamino (4) derivatives of 8-hydroxy-2-(dipropylamino)tetralin (8-OH DPAT; 3) have been synthesized. The compounds have been tested for activity at central 5-hydroxytryptamine and dopamine receptors by use of biochemical and behavioral tests in rats. In addition, the ability of the e... aid6441.table aid6441.tbin
6442 4 Title: Resolved N,N-dialkylated 2-amino-8-hydroxytetralins: stereoselective interactions with 5-HT1A receptors in the brain. Abstract: The enantiomers of the N,N-dimethylamino (1), N,N-diethylamino (2), and N,N-dibutylamino (4) derivatives of 8-hydroxy-2-(dipropylamino)tetralin (8-OH DPAT; 3) have been synthesized. The compounds have been tested for activity at central 5-hydroxytryptamine and dopamine receptors by use of biochemical and behavioral tests in rats. In addition, the ability of the e... aid6442.table aid6442.tbin
6443 1 Title: Resolved N,N-dialkylated 2-amino-8-hydroxytetralins: stereoselective interactions with 5-HT1A receptors in the brain. Abstract: The enantiomers of the N,N-dimethylamino (1), N,N-diethylamino (2), and N,N-dibutylamino (4) derivatives of 8-hydroxy-2-(dipropylamino)tetralin (8-OH DPAT; 3) have been synthesized. The compounds have been tested for activity at central 5-hydroxytryptamine and dopamine receptors by use of biochemical and behavioral tests in rats. In addition, the ability of the e... aid6443.table aid6443.tbin
6444 1 Title: Resolved N,N-dialkylated 2-amino-8-hydroxytetralins: stereoselective interactions with 5-HT1A receptors in the brain. Abstract: The enantiomers of the N,N-dimethylamino (1), N,N-diethylamino (2), and N,N-dibutylamino (4) derivatives of 8-hydroxy-2-(dipropylamino)tetralin (8-OH DPAT; 3) have been synthesized. The compounds have been tested for activity at central 5-hydroxytryptamine and dopamine receptors by use of biochemical and behavioral tests in rats. In addition, the ability of the e... aid6444.table aid6444.tbin
6445 3 Title: Resolved N,N-dialkylated 2-amino-8-hydroxytetralins: stereoselective interactions with 5-HT1A receptors in the brain. Abstract: The enantiomers of the N,N-dimethylamino (1), N,N-diethylamino (2), and N,N-dibutylamino (4) derivatives of 8-hydroxy-2-(dipropylamino)tetralin (8-OH DPAT; 3) have been synthesized. The compounds have been tested for activity at central 5-hydroxytryptamine and dopamine receptors by use of biochemical and behavioral tests in rats. In addition, the ability of the e... aid6445.table aid6445.tbin
6446 4 Title: Resolved N,N-dialkylated 2-amino-8-hydroxytetralins: stereoselective interactions with 5-HT1A receptors in the brain. Abstract: The enantiomers of the N,N-dimethylamino (1), N,N-diethylamino (2), and N,N-dibutylamino (4) derivatives of 8-hydroxy-2-(dipropylamino)tetralin (8-OH DPAT; 3) have been synthesized. The compounds have been tested for activity at central 5-hydroxytryptamine and dopamine receptors by use of biochemical and behavioral tests in rats. In addition, the ability of the e... aid6446.table aid6446.tbin
6447 4 Title: Resolved N,N-dialkylated 2-amino-8-hydroxytetralins: stereoselective interactions with 5-HT1A receptors in the brain. Abstract: The enantiomers of the N,N-dimethylamino (1), N,N-diethylamino (2), and N,N-dibutylamino (4) derivatives of 8-hydroxy-2-(dipropylamino)tetralin (8-OH DPAT; 3) have been synthesized. The compounds have been tested for activity at central 5-hydroxytryptamine and dopamine receptors by use of biochemical and behavioral tests in rats. In addition, the ability of the e... aid6447.table aid6447.tbin
6448 1 Title: Resolved N,N-dialkylated 2-amino-8-hydroxytetralins: stereoselective interactions with 5-HT1A receptors in the brain. Abstract: The enantiomers of the N,N-dimethylamino (1), N,N-diethylamino (2), and N,N-dibutylamino (4) derivatives of 8-hydroxy-2-(dipropylamino)tetralin (8-OH DPAT; 3) have been synthesized. The compounds have been tested for activity at central 5-hydroxytryptamine and dopamine receptors by use of biochemical and behavioral tests in rats. In addition, the ability of the e... aid6448.table aid6448.tbin
6449 3 Title: Resolved N,N-dialkylated 2-amino-8-hydroxytetralins: stereoselective interactions with 5-HT1A receptors in the brain. Abstract: The enantiomers of the N,N-dimethylamino (1), N,N-diethylamino (2), and N,N-dibutylamino (4) derivatives of 8-hydroxy-2-(dipropylamino)tetralin (8-OH DPAT; 3) have been synthesized. The compounds have been tested for activity at central 5-hydroxytryptamine and dopamine receptors by use of biochemical and behavioral tests in rats. In addition, the ability of the e... aid6449.table aid6449.tbin
6450 3 Title: Resolved N,N-dialkylated 2-amino-8-hydroxytetralins: stereoselective interactions with 5-HT1A receptors in the brain. Abstract: The enantiomers of the N,N-dimethylamino (1), N,N-diethylamino (2), and N,N-dibutylamino (4) derivatives of 8-hydroxy-2-(dipropylamino)tetralin (8-OH DPAT; 3) have been synthesized. The compounds have been tested for activity at central 5-hydroxytryptamine and dopamine receptors by use of biochemical and behavioral tests in rats. In addition, the ability of the e... aid6450.table aid6450.tbin
6451 3 Title: Resolved N,N-dialkylated 2-amino-8-hydroxytetralins: stereoselective interactions with 5-HT1A receptors in the brain. Abstract: The enantiomers of the N,N-dimethylamino (1), N,N-diethylamino (2), and N,N-dibutylamino (4) derivatives of 8-hydroxy-2-(dipropylamino)tetralin (8-OH DPAT; 3) have been synthesized. The compounds have been tested for activity at central 5-hydroxytryptamine and dopamine receptors by use of biochemical and behavioral tests in rats. In addition, the ability of the e... aid6451.table aid6451.tbin
6452 3 Title: Resolved N,N-dialkylated 2-amino-8-hydroxytetralins: stereoselective interactions with 5-HT1A receptors in the brain. Abstract: The enantiomers of the N,N-dimethylamino (1), N,N-diethylamino (2), and N,N-dibutylamino (4) derivatives of 8-hydroxy-2-(dipropylamino)tetralin (8-OH DPAT; 3) have been synthesized. The compounds have been tested for activity at central 5-hydroxytryptamine and dopamine receptors by use of biochemical and behavioral tests in rats. In addition, the ability of the e... aid6452.table aid6452.tbin
6453 4 Title: Resolved N,N-dialkylated 2-amino-8-hydroxytetralins: stereoselective interactions with 5-HT1A receptors in the brain. Abstract: The enantiomers of the N,N-dimethylamino (1), N,N-diethylamino (2), and N,N-dibutylamino (4) derivatives of 8-hydroxy-2-(dipropylamino)tetralin (8-OH DPAT; 3) have been synthesized. The compounds have been tested for activity at central 5-hydroxytryptamine and dopamine receptors by use of biochemical and behavioral tests in rats. In addition, the ability of the e... aid6453.table aid6453.tbin
6454 4 Title: Resolved N,N-dialkylated 2-amino-8-hydroxytetralins: stereoselective interactions with 5-HT1A receptors in the brain. Abstract: The enantiomers of the N,N-dimethylamino (1), N,N-diethylamino (2), and N,N-dibutylamino (4) derivatives of 8-hydroxy-2-(dipropylamino)tetralin (8-OH DPAT; 3) have been synthesized. The compounds have been tested for activity at central 5-hydroxytryptamine and dopamine receptors by use of biochemical and behavioral tests in rats. In addition, the ability of the e... aid6454.table aid6454.tbin
6455 5 Title: Resolved N,N-dialkylated 2-amino-8-hydroxytetralins: stereoselective interactions with 5-HT1A receptors in the brain. Abstract: The enantiomers of the N,N-dimethylamino (1), N,N-diethylamino (2), and N,N-dibutylamino (4) derivatives of 8-hydroxy-2-(dipropylamino)tetralin (8-OH DPAT; 3) have been synthesized. The compounds have been tested for activity at central 5-hydroxytryptamine and dopamine receptors by use of biochemical and behavioral tests in rats. In addition, the ability of the e... aid6455.table aid6455.tbin
6456 1 Title: Resolved N,N-dialkylated 2-amino-8-hydroxytetralins: stereoselective interactions with 5-HT1A receptors in the brain. Abstract: The enantiomers of the N,N-dimethylamino (1), N,N-diethylamino (2), and N,N-dibutylamino (4) derivatives of 8-hydroxy-2-(dipropylamino)tetralin (8-OH DPAT; 3) have been synthesized. The compounds have been tested for activity at central 5-hydroxytryptamine and dopamine receptors by use of biochemical and behavioral tests in rats. In addition, the ability of the e... aid6456.table aid6456.tbin
6457 4 Title: Resolved N,N-dialkylated 2-amino-8-hydroxytetralins: stereoselective interactions with 5-HT1A receptors in the brain. Abstract: The enantiomers of the N,N-dimethylamino (1), N,N-diethylamino (2), and N,N-dibutylamino (4) derivatives of 8-hydroxy-2-(dipropylamino)tetralin (8-OH DPAT; 3) have been synthesized. The compounds have been tested for activity at central 5-hydroxytryptamine and dopamine receptors by use of biochemical and behavioral tests in rats. In addition, the ability of the e... aid6457.table aid6457.tbin
6458 1 Binding affinity against 5-hydroxytryptamine 4 receptor aid6458.table aid6458.tbin
6459 1 Title: 5-HT4 receptor ligands: applications and new prospects. aid6459.table aid6459.tbin
6460 1 Title: Benzoxazole derivatives as novel 5-HT3 receptor partial agonists in the gut. Abstract: A series of benzoxazoles with a nitrogen-containing heterocyclic substituent at the 2-position was prepared and evaluated for 5-HT3 partial agonist activity on isolated guinea pig ileum. The nature of the substituent at the 5-position of the benzoxazole ring affected the potency for the 5-HT3 receptor, and the 5-chloro derivatives showed increased potency and lowered intrinsic activity. 5-Chloro-7-methy... aid6460.table aid6460.tbin
6461 1 Title: Understanding the structure-activity relationship of the human ether-a-go-go-related gene cardiac K+ channel. A model for bad behavior. aid6461.table aid6461.tbin
6462 2 Title: A novel and selective 5-HT2 receptor agonist with ocular hypotensive activity: (S)-(+)-1-(2-aminopropyl)-8,9-dihydropyrano[3,2-e]indole. Abstract: Serotonin 5-HT2 receptor agonists have recently been shown to be effective in lowering intraocular pressure in nonhuman primates and represent a potential new class of antiglaucoma agents. As part of an effort to identify new selective agonists at this receptor, we have found that (S)-(+)-1-(2-aminopropyl)-8,9-dihydropyrano[3,2-e]indole (AL-373... aid6462.table aid6462.tbin
6463 4 Title: A novel, potent, and selective 5-HT(7) antagonist: (R)-3-(2-(2-(4-methylpiperidin-1-yl)ethyl)pyrrolidine-1-sulfonyl) phen ol (SB-269970). aid6463.table aid6463.tbin
6464 1 Title: A novel, potent, and selective 5-HT(7) antagonist: (R)-3-(2-(2-(4-methylpiperidin-1-yl)ethyl)pyrrolidine-1-sulfonyl) phen ol (SB-269970). aid6464.table aid6464.tbin
6465 5 Title: A novel, potent, and selective 5-HT(7) antagonist: (R)-3-(2-(2-(4-methylpiperidin-1-yl)ethyl)pyrrolidine-1-sulfonyl) phen ol (SB-269970). aid6465.table aid6465.tbin
6466 4 Title: New arylpiperazine derivatives as antagonists of the human cloned 5-HT(4) receptor isoforms. Abstract: New derivatives of arylpiperazine 9 were designed from ML 10302, a potent 5-HT(4) receptor agonist in the gastrointestinal system. Compounds were synthesized by condensation of a number of available arylpiperazines or heteroarylpiperazines with 2-bromoethyl 4-amino-5-chloro-2-methoxybenzoate. They were evaluated in binding assays on the recently cloned human 5-HT(4(e)) isoform stably exp... aid6466.table aid6466.tbin
6467 4 Title: New arylpiperazine derivatives as antagonists of the human cloned 5-HT(4) receptor isoforms. Abstract: New derivatives of arylpiperazine 9 were designed from ML 10302, a potent 5-HT(4) receptor agonist in the gastrointestinal system. Compounds were synthesized by condensation of a number of available arylpiperazines or heteroarylpiperazines with 2-bromoethyl 4-amino-5-chloro-2-methoxybenzoate. They were evaluated in binding assays on the recently cloned human 5-HT(4(e)) isoform stably exp... aid6467.table aid6467.tbin
6468 4 Title: New arylpiperazine derivatives as antagonists of the human cloned 5-HT(4) receptor isoforms. Abstract: New derivatives of arylpiperazine 9 were designed from ML 10302, a potent 5-HT(4) receptor agonist in the gastrointestinal system. Compounds were synthesized by condensation of a number of available arylpiperazines or heteroarylpiperazines with 2-bromoethyl 4-amino-5-chloro-2-methoxybenzoate. They were evaluated in binding assays on the recently cloned human 5-HT(4(e)) isoform stably exp... aid6468.table aid6468.tbin
6469 4 Title: New arylpiperazine derivatives as antagonists of the human cloned 5-HT(4) receptor isoforms. Abstract: New derivatives of arylpiperazine 9 were designed from ML 10302, a potent 5-HT(4) receptor agonist in the gastrointestinal system. Compounds were synthesized by condensation of a number of available arylpiperazines or heteroarylpiperazines with 2-bromoethyl 4-amino-5-chloro-2-methoxybenzoate. They were evaluated in binding assays on the recently cloned human 5-HT(4(e)) isoform stably exp... aid6469.table aid6469.tbin
6470 3 Title: Synthesis and characterization of the first fluorescent antagonists for human 5-HT4 receptors. Abstract: Fluorescent antagonists for human 5-HT(4) receptors were synthesized based on ML10302 1, a potent 5-HT(4) receptor agonist and on piperazine analogue 2. These molecules were derived with three fluorescent moieties, dansyl, naphthalimide, and NBD (7-nitrobenz-2-oxa-1,3-diazol-4-yl), through alkyl chains. The synthesized molecules were evaluated in binding assays on the recently cloned h... aid6470.table aid6470.tbin
6471 16 Title: Synthesis and characterization of the first fluorescent antagonists for human 5-HT4 receptors. Abstract: Fluorescent antagonists for human 5-HT(4) receptors were synthesized based on ML10302 1, a potent 5-HT(4) receptor agonist and on piperazine analogue 2. These molecules were derived with three fluorescent moieties, dansyl, naphthalimide, and NBD (7-nitrobenz-2-oxa-1,3-diazol-4-yl), through alkyl chains. The synthesized molecules were evaluated in binding assays on the recently cloned h... aid6471.table aid6471.tbin
6472 27 Title: New arylpiperazine derivatives as antagonists of the human cloned 5-HT(4) receptor isoforms. Abstract: New derivatives of arylpiperazine 9 were designed from ML 10302, a potent 5-HT(4) receptor agonist in the gastrointestinal system. Compounds were synthesized by condensation of a number of available arylpiperazines or heteroarylpiperazines with 2-bromoethyl 4-amino-5-chloro-2-methoxybenzoate. They were evaluated in binding assays on the recently cloned human 5-HT(4(e)) isoform stably exp... aid6472.table aid6472.tbin
6473 14 Title: Synthesis and characterization of the first fluorescent antagonists for human 5-HT4 receptors. Abstract: Fluorescent antagonists for human 5-HT(4) receptors were synthesized based on ML10302 1, a potent 5-HT(4) receptor agonist and on piperazine analogue 2. These molecules were derived with three fluorescent moieties, dansyl, naphthalimide, and NBD (7-nitrobenz-2-oxa-1,3-diazol-4-yl), through alkyl chains. The synthesized molecules were evaluated in binding assays on the recently cloned h... aid6473.table aid6473.tbin
6474 1 Title: Higher-end serotonin receptors: 5-HT(5), 5-HT(6), and 5-HT(7). aid6474.table aid6474.tbin
6475 2 Title: A novel and selective 5-HT2 receptor agonist with ocular hypotensive activity: (S)-(+)-1-(2-aminopropyl)-8,9-dihydropyrano[3,2-e]indole. Abstract: Serotonin 5-HT2 receptor agonists have recently been shown to be effective in lowering intraocular pressure in nonhuman primates and represent a potential new class of antiglaucoma agents. As part of an effort to identify new selective agonists at this receptor, we have found that (S)-(+)-1-(2-aminopropyl)-8,9-dihydropyrano[3,2-e]indole (AL-373... aid6475.table aid6475.tbin
6476 2 Title: From hit to lead. Analyzing structure-profile relationships. Abstract: Two compounds, obtained by random screening, and displaying micromolar activities on the mu opiate receptor were used as starting points for optimization. In that work, the traditional concept of the activity of a compound (related to one or a few targets) was extended to the comprehensive pharmacological profile of that compound on more than 70 receptors, transporters, and channels relevant to a CNS-oriented project. ... aid6476.table aid6476.tbin
6477 1 Title: 3-[3-(Piperidin-1-yl)propyl]indoles as highly selective h5-HT(1D) receptor agonists. Abstract: Several 5-HT(1D/1B) receptor agonists are now entering the marketplace as treatments for migraine. This paper describes the development of selective h5-HT(1D) receptor agonists as potential antimigraine agents which may produce fewer side effects. A series of 3-[3-(piperidin-1-yl)propyl]indoles has been synthesized which has led to the identification of 80 (L-772,405), a high-affinity h5-HT(1D) ... aid6477.table aid6477.tbin
6478 1 Title: (+/-)8-Amino-5,6,7,8-tetrahydroisoquinolines as novel antinociceptive agents. Abstract: Several amine-substituted 8-amino-5,6,7,8-tetrahydroisoquinolines were examined as conformationally-constrained analogs of the nicotinic cholinergic (nACh) 3-(aminomethyl)pyridines. Although these ligands failed to bind at nACh receptors, the N-ethyl-N-methyl analog 3d was found to be at least equipotent with nicotine in rodent tests of antinociception. The mechanism of action of 3d is currently unknow... aid6478.table aid6478.tbin
6479 10 Title: Higher-end serotonin receptors: 5-HT(5), 5-HT(6), and 5-HT(7). aid6479.table aid6479.tbin
6480 9 Title: Higher-end serotonin receptors: 5-HT(5), 5-HT(6), and 5-HT(7). aid6480.table aid6480.tbin
6481 11 Title: Synthesis of potent and selective dopamine D(4) antagonists as candidate radioligands. Abstract: A series of dopamine D(4) antagonists was synthesized and evaluated as potential candidates for development as positron emission tomography (PET) radioligands. All new compounds display high affinity and selectivity for the D(4) receptors and compounds 5b, 5d, and 5e were identified as candidates for radioligand development. aid6481.table aid6481.tbin
6482 4 Title: Binding of beta-carbolines at 5-HT(2) serotonin receptors. Abstract: A series of ring-substituted (i.e., methoxy and bromo) 3,4-dihydro- and 1,2,3,4-tetrahydro-beta-carbolines was examined at 5-HT(2A) and 5-HT(2C) serotonin receptors. Whereas most of the methoxy-substituted derivatives typically displayed affinities similar to their unsubstituted parents, certain (particularly 8-substituted) bromo derivatives displayed enhanced affinity. A binding profile was obtained for selected beta-ca... aid6482.table aid6482.tbin
6483 22 Title: Binding of tetrahydrocarboline derivatives at human 5-HT5A receptors. Abstract: On the basis of an earlier finding that 5-methyl-5H-1,2,3,4-tetrahydropyrido[4,3-b]indole (5-methyl-1,2,3,4-tetrahydro-gamma-carboline; 1) binds at murine 5-HT(5A) receptors, preliminary structure-affinity studies were conducted. The present investigation extends these structure-affinity studies using human 5-HT(5A) receptors and examined additional analogues of 1. It was found (a) that there is little intersp... aid6483.table aid6483.tbin
6484 4 Title: 2-Substituted tryptamines: agents with selectivity for 5-HT(6) serotonin receptors. Abstract: Several 2-alkyl-5-methoxytryptamine analogues were designed and prepared as potential 5-HT(6) serotonin agonists. It was found that 5-HT(6) receptors accommodate small alkyl substituents at the indole 2-position and that the resulting compounds can bind with affinities comparable to that of serotonin. In particular, 2-ethyl-5-methoxy-N, N-dimethyltryptamine (8) binds with high affinity at human 5... aid6484.table aid6484.tbin
6485 1 Title: Identification of a novel series of selective 5-HT7 receptor antagonists. Abstract: Novel 5-HT(7) receptor antagonists containing the benzocycloheptanone core were identified from high throughput screening. Molecular modelling and SAR studies have converted these intractable hits into a more potent, selective and tractable series, exemplified by compound (25), SB-691673. aid6485.table aid6485.tbin
6486 1 Title: A novel, potent, and selective 5-HT(7) antagonist: (R)-3-(2-(2-(4-methylpiperidin-1-yl)ethyl)pyrrolidine-1-sulfonyl) phen ol (SB-269970). aid6486.table aid6486.tbin
6487 4 Title: A novel, potent, and selective 5-HT(7) antagonist: (R)-3-(2-(2-(4-methylpiperidin-1-yl)ethyl)pyrrolidine-1-sulfonyl) phen ol (SB-269970). aid6487.table aid6487.tbin
6488 1 Title: SB-656104-A: a novel 5-HT(7) receptor antagonist with improved in vivo properties. Abstract: A focused SAR study around the previously reported selective 5-HT(7) receptor antagonist, SB-269970-A has resulted in the identification of a structurally related analogue having an improved pharmacokinetic profile. Replacement of the phenolic group in SB-269970-A with an indole moiety, and replacement of the piperidinyl 4-methyl group with a heterocyclic ring system proved to be the key changes l... aid6488.table aid6488.tbin
6489 2 Title: Higher-end serotonin receptors: 5-HT(5), 5-HT(6), and 5-HT(7). aid6489.table aid6489.tbin
6490 2 Title: Higher-end serotonin receptors: 5-HT(5), 5-HT(6), and 5-HT(7). aid6490.table aid6490.tbin
6491 1 Title: Higher-end serotonin receptors: 5-HT(5), 5-HT(6), and 5-HT(7). aid6491.table aid6491.tbin
6492 3 Title: Higher-end serotonin receptors: 5-HT(5), 5-HT(6), and 5-HT(7). aid6492.table aid6492.tbin
6493 4 Title: Higher-end serotonin receptors: 5-HT(5), 5-HT(6), and 5-HT(7). aid6493.table aid6493.tbin
6494 31 Title: Binding of tetrahydrocarboline derivatives at human 5-HT5A receptors. Abstract: On the basis of an earlier finding that 5-methyl-5H-1,2,3,4-tetrahydropyrido[4,3-b]indole (5-methyl-1,2,3,4-tetrahydro-gamma-carboline; 1) binds at murine 5-HT(5A) receptors, preliminary structure-affinity studies were conducted. The present investigation extends these structure-affinity studies using human 5-HT(5A) receptors and examined additional analogues of 1. It was found (a) that there is little intersp... aid6494.table aid6494.tbin
6495 1 Title: N-Arylsulfonylindole derivatives as serotonin 5-HT(6) receptor ligands. Abstract: A series of N(1)-arylsulfonyltryptamines were found to be potent ligands of the human serotonin 5-HT(6) receptor with the 5-methoxy-1-benzenesulfonyl analogue (19) having the highest affinity. Additionally, it was discovered that a group such as 3-(3-methoxybenzyl)-1,2,4-oxadiazol-5-yl in the 2-position of the indole ring (43) can replace the arylsulfonyl substituent in the 1-position with no loss of affinit... aid6495.table aid6495.tbin
6496 7 Title: N-Arylsulfonylindole derivatives as serotonin 5-HT(6) receptor ligands. Abstract: A series of N(1)-arylsulfonyltryptamines were found to be potent ligands of the human serotonin 5-HT(6) receptor with the 5-methoxy-1-benzenesulfonyl analogue (19) having the highest affinity. Additionally, it was discovered that a group such as 3-(3-methoxybenzyl)-1,2,4-oxadiazol-5-yl in the 2-position of the indole ring (43) can replace the arylsulfonyl substituent in the 1-position with no loss of affinit... aid6496.table aid6496.tbin
6497 2 Title: Combinatorial synthesis of 3-(amidoalkyl) and 3-(aminoalkyl)-2-arylindole derivatives: discovery of potent ligands for a variety of G-protein coupled receptors. Abstract: Preparation and screening of mixture libraries based on a 2-arylindole scaffold resulted in the discovery of potent ligands for a variety of G-protein coupled receptors. aid6497.table aid6497.tbin
6498 1 Title: Higher-end serotonin receptors: 5-HT(5), 5-HT(6), and 5-HT(7). aid6498.table aid6498.tbin
6499 13 Title: Higher-end serotonin receptors: 5-HT(5), 5-HT(6), and 5-HT(7). aid6499.table aid6499.tbin
6500 17 Title: Binding of tetrahydrocarboline derivatives at human 5-HT5A receptors. Abstract: On the basis of an earlier finding that 5-methyl-5H-1,2,3,4-tetrahydropyrido[4,3-b]indole (5-methyl-1,2,3,4-tetrahydro-gamma-carboline; 1) binds at murine 5-HT(5A) receptors, preliminary structure-affinity studies were conducted. The present investigation extends these structure-affinity studies using human 5-HT(5A) receptors and examined additional analogues of 1. It was found (a) that there is little intersp... aid6500.table aid6500.tbin
6501 1 Title: Lysergamides of isomeric 2,4-dimethylazetidines map the binding orientation of the diethylamide moiety in the potent hallucinogenic agent N,N-diethyllysergamide (LSD). Abstract: Lysergic acid amides were prepared from (R,R)-(-)-, (S,S)-(+)-, and cis-2,4-dimethyl azetidine. The dimethylazetidine moiety is considered here to be a rigid analogue of diethylamine, and thus, the target compounds are all conformationally constrained analogues of the potent hallucinogenic agent, N,N-diethyllyserg... aid6501.table aid6501.tbin
6502 3 Title: Lysergamides of isomeric 2,4-dimethylazetidines map the binding orientation of the diethylamide moiety in the potent hallucinogenic agent N,N-diethyllysergamide (LSD). Abstract: Lysergic acid amides were prepared from (R,R)-(-)-, (S,S)-(+)-, and cis-2,4-dimethyl azetidine. The dimethylazetidine moiety is considered here to be a rigid analogue of diethylamine, and thus, the target compounds are all conformationally constrained analogues of the potent hallucinogenic agent, N,N-diethyllyserg... aid6502.table aid6502.tbin
6503 1 Title: Homoazanicotine: a structure-affinity study for nicotinic acetylcholine (nACh) receptor binding. Abstract: We have recently identified 3-[(1-methyl)-4,5-dihydro-1H-imidazol-2-yl)methyl]pyridine (homoazanicotine, 8) as a novel nicotinic acetylcholinergic (nACh) receptor ligand. In the present investigation, after we determined that 8 binds selectively at nicotinic (K(i) = 7.8 nM) vs muscarinic (K(i) &gt; 10,000 nM) acetylcholinergic receptors, we examined its structure-affinity relationshi... aid6503.table aid6503.tbin
6504 1 Title: First tricyclic oximino derivatives as 5-HT3 ligands. Abstract: The design and synthesis of a new type of 5-HT3 ligand with subnanomolar affinity are described. The O-dialkylaminoethyloximinothienopyrrolizine structure was deduced from molecular modeling studies by replacement of an amidine moiety by an oximino one. aid6504.table aid6504.tbin
6505 1 Title: New tetrahydrobenzindoles as potent and selective 5-HT(7) antagonists with increased In vitro metabolic stability. Abstract: Chemical modifications of compound 1 (DR4004), a potent, selective antagonist of the 5-HT(7) receptor, were conducted with the aim of improving its metabolic stability. Halogenation of putative sites of oxidative metabolism afforded compounds 7-10, which retained high affinity and selectivity for the 5-HT(7) receptor, and showed increased in vitro metabolic stabilit... aid6505.table aid6505.tbin
6506 6 Title: From hit to lead. Analyzing structure-profile relationships. Abstract: Two compounds, obtained by random screening, and displaying micromolar activities on the mu opiate receptor were used as starting points for optimization. In that work, the traditional concept of the activity of a compound (related to one or a few targets) was extended to the comprehensive pharmacological profile of that compound on more than 70 receptors, transporters, and channels relevant to a CNS-oriented project. ... aid6506.table aid6506.tbin
6507 9 Title: Identification of a potent and selective 5-HT(6) antagonist: one-step synthesis of (E)-3-(benzenesulfonyl)-2- (methylsulfanyl)pyrido[1,2-a]pyrimidin-4-ylidenamine from 2-(benzenesulfonyl)-3,3-bis(methylsulfanyl)acrylonitrile. Abstract: (E)-3-(Benzenesulfonyl)-2-(methylsulfanyl)pyrido[1,2-a]pyrimidin-4-ylidenamine (7) was found to be a potent and selective 5-HT(6) antagonist. A one-step synthesis of this compound is described. aid6507.table aid6507.tbin
6508 1 Title: Recognition of privileged structures by G-protein coupled receptors. Abstract: Privileged structures are ligand substructures that are widely used to generate high-affinity ligands for more than one type of receptor. To explain this, we surmised that there must be some common feature in the target proteins. For a set of class A GPCRs, we found a good correlation between conservation patterns of residues in the ligand binding pocket and the privileged structure fragments in class A GPCR li... aid6508.table aid6508.tbin
6509 1 Title: (+/-)8-Amino-5,6,7,8-tetrahydroisoquinolines as novel antinociceptive agents. Abstract: Several amine-substituted 8-amino-5,6,7,8-tetrahydroisoquinolines were examined as conformationally-constrained analogs of the nicotinic cholinergic (nACh) 3-(aminomethyl)pyridines. Although these ligands failed to bind at nACh receptors, the N-ethyl-N-methyl analog 3d was found to be at least equipotent with nicotine in rodent tests of antinociception. The mechanism of action of 3d is currently unknow... aid6509.table aid6509.tbin
6510 32 Title: N-Arylsulfonylindole derivatives as serotonin 5-HT(6) receptor ligands. Abstract: A series of N(1)-arylsulfonyltryptamines were found to be potent ligands of the human serotonin 5-HT(6) receptor with the 5-methoxy-1-benzenesulfonyl analogue (19) having the highest affinity. Additionally, it was discovered that a group such as 3-(3-methoxybenzyl)-1,2,4-oxadiazol-5-yl in the 2-position of the indole ring (43) can replace the arylsulfonyl substituent in the 1-position with no loss of affinit... aid6510.table aid6510.tbin
6511 1 Title: Higher-end serotonin receptors: 5-HT(5), 5-HT(6), and 5-HT(7). aid6511.table aid6511.tbin
6512 2 Title: Higher-end serotonin receptors: 5-HT(5), 5-HT(6), and 5-HT(7). aid6512.table aid6512.tbin
6513 5 Title: Higher-end serotonin receptors: 5-HT(5), 5-HT(6), and 5-HT(7). aid6513.table aid6513.tbin
6514 11 Title: Higher-end serotonin receptors: 5-HT(5), 5-HT(6), and 5-HT(7). aid6514.table aid6514.tbin
6515 1 Title: Synthesis and biological activity of oxo-7H-benzo[e]perimidine-4-carboxylic acid derivatives as potent, nonpeptide corticotropin releasing factor (CRF) receptor antagonists. Abstract: A novel series of derivatives of oxo-7H-benzo[e]perimidine-4-carboxylic acid (I) potently displaced radioligand binding of 125I-CRF to both CRF1 and CRF2 receptors. The members of this series antagonized CRF-stimulated cAMP formation and CRF-stimulated corticotropin release from rat pituitary in vivo. These ... aid6515.table aid6515.tbin
6516 18 Title: N1-benzenesulfonylgramine and N1-benzenesulfonylskatole: novel 5-HT6 receptor ligand templates. Abstract: 1-Benzenesulfonyl-5-methoxy-N,N-dimethyltryptamine (3; K(i)=2.3 nM) is a 5-HT(6) receptor antagonist; removal of the 5-methoxy group (i.e., 6; K(i)=4.1 nM) has little impact on receptor affinity. In the present study, it is shown that the aminomethyl portion of 6 can be shortened to gramine analogue 10a (K(i)=3.1 nM); a related skatole derivative 11b (K(i)=12 nM) also binds with high ... aid6516.table aid6516.tbin
6517 4 Title: Binding of beta-carbolines at 5-HT(2) serotonin receptors. Abstract: A series of ring-substituted (i.e., methoxy and bromo) 3,4-dihydro- and 1,2,3,4-tetrahydro-beta-carbolines was examined at 5-HT(2A) and 5-HT(2C) serotonin receptors. Whereas most of the methoxy-substituted derivatives typically displayed affinities similar to their unsubstituted parents, certain (particularly 8-substituted) bromo derivatives displayed enhanced affinity. A binding profile was obtained for selected beta-ca... aid6517.table aid6517.tbin
6518 17 Title: 2-Substituted tryptamines: agents with selectivity for 5-HT(6) serotonin receptors. Abstract: Several 2-alkyl-5-methoxytryptamine analogues were designed and prepared as potential 5-HT(6) serotonin agonists. It was found that 5-HT(6) receptors accommodate small alkyl substituents at the indole 2-position and that the resulting compounds can bind with affinities comparable to that of serotonin. In particular, 2-ethyl-5-methoxy-N, N-dimethyltryptamine (8) binds with high affinity at human 5... aid6518.table aid6518.tbin
6519 1 Title: N-[3-(2-Dimethylaminoethyl)-2-methyl-1H- indol-5-yl]-4-fluorobenzamide: a potent, selective, and orally active 5-HT(1F) receptor agonist potentially useful for migraine therapy. Abstract: Recent studies have demonstrated that selective 5-HT(1F) receptor agonists inhibit neurogenic dural inflammation, a model of migraine headache, indicating that these compounds may be effective therapies for the treatment of migraine pain. This communication describes the synthesis and discovery of a nove... aid6519.table aid6519.tbin
6520 15 Title: N1-(Benzenesulfonyl)tryptamines as novel 5-HT6 antagonists. Abstract: N-Benzenesulfonyl-5-methoxy-N,N-dimethyltryptamine (BS/5-OMe DMT; 5) was shown to bind at human 5-HT6 serotonin receptors with high affinity (Ki = 2.3 nM) relative to serotonin (Ki = 78 nM). Structural variation failed to result in significantly enhanced affinity. BS/5-OMe DMT acts as an antagonist of 5-HT-stimulated adenylate cyclase (pA2 = 8.88 nM) and may represent the first member of a novel class of 5-HT6 antagonis... aid6520.table aid6520.tbin
6521 4 Title: 2-Substituted tryptamines: agents with selectivity for 5-HT(6) serotonin receptors. Abstract: Several 2-alkyl-5-methoxytryptamine analogues were designed and prepared as potential 5-HT(6) serotonin agonists. It was found that 5-HT(6) receptors accommodate small alkyl substituents at the indole 2-position and that the resulting compounds can bind with affinities comparable to that of serotonin. In particular, 2-ethyl-5-methoxy-N, N-dimethyltryptamine (8) binds with high affinity at human 5... aid6521.table aid6521.tbin
6522 13 Title: 6-Bicyclopiperazinyl-1-arylsulfonylindoles and 6-bicyclopiperidinyl-1-arylsulfonylindoles derivatives as novel, potent, and selective 5-HT6 receptor antagonists. Abstract: A novel series of 6-bicyclopiperazinyl-1-arylsulfonylindoles and 6-bicyclopiperidinyl-1-arylsulfonylindoles derivatives was synthesized and found to be potent and selective 5-HT6 receptor antagonists. aid6522.table aid6522.tbin
6523 6 Title: Synthesis, receptor potency, and selectivity of halogenated diphenylpiperidines as serotonin 5-HT2A ligands for PET or SPECT brain imaging. Abstract: A series of 4'-substituted phenyl-4-piperidinylmethanol and benzoyl-4-piperidine derivatives was synthesized as potential novel serotonin 5-HT2A receptor ligands that can be radiolabeled for in vivo brain imaging. Compounds were prepared by alkylation of 4-substituted benzoyl-4-piperidine with an iodo- or fluoro-substituted phenylalkyl halid... aid6523.table aid6523.tbin
6524 10 Title: Synthesis, receptor potency, and selectivity of halogenated diphenylpiperidines as serotonin 5-HT2A ligands for PET or SPECT brain imaging. Abstract: A series of 4'-substituted phenyl-4-piperidinylmethanol and benzoyl-4-piperidine derivatives was synthesized as potential novel serotonin 5-HT2A receptor ligands that can be radiolabeled for in vivo brain imaging. Compounds were prepared by alkylation of 4-substituted benzoyl-4-piperidine with an iodo- or fluoro-substituted phenylalkyl halid... aid6524.table aid6524.tbin
6525 19 Title: 1,2,3,4-tetrahydrocarbazoles as 5-HT6 serotonin receptor ligands. Abstract: An investigation of the structure-affinity relationships for the binding of 4-(N,N-dimethylaminomethyl)-N(9)-arylsulfonyl-9H-1,2,3,4-tetrahydrocarbazoles (conformationally-constrained analogues of the benzenesulfonyltryptamine 5-HT(6) antagonist MS-245) at human 5-HT(6) receptors revealed that various arylsulfonyl substituents are tolerated and that the 4-(N,N-dimethylaminomethyl) group is not required for binding... aid6525.table aid6525.tbin
6526 11 Title: Synthesis of potent and selective dopamine D(4) antagonists as candidate radioligands. Abstract: A series of dopamine D(4) antagonists was synthesized and evaluated as potential candidates for development as positron emission tomography (PET) radioligands. All new compounds display high affinity and selectivity for the D(4) receptors and compounds 5b, 5d, and 5e were identified as candidates for radioligand development. aid6526.table aid6526.tbin
6527 2 Title: Novel potent 5-HT(1F) receptor agonists: structure-activity studies of a series of substituted N-[3-(1-methyl-4-piperidinyl)-1H-pyrrolo[3,2-b]pyridin-5-yl]amides. Abstract: Compound 1a (LY334370), a selective 5-HT(1F) receptor agonist (SSOFRA), inhibited dural inflammation in the neurogenic plasma protein extravasation model of migraine and demonstrated clinical efficacy for the acute treatment of migraine. Although 1a was greater than 100-fold selective over both the 5-HT(1B) and 5-HT(1D... aid6527.table aid6527.tbin
6528 2 Title: A novel and selective 5-HT2 receptor agonist with ocular hypotensive activity: (S)-(+)-1-(2-aminopropyl)-8,9-dihydropyrano[3,2-e]indole. Abstract: Serotonin 5-HT2 receptor agonists have recently been shown to be effective in lowering intraocular pressure in nonhuman primates and represent a potential new class of antiglaucoma agents. As part of an effort to identify new selective agonists at this receptor, we have found that (S)-(+)-1-(2-aminopropyl)-8,9-dihydropyrano[3,2-e]indole (AL-373... aid6528.table aid6528.tbin
6529 1 Title: Influence of the 5-HT6 receptor on acetylcholine release in the cortex: pharmacological characterization of 4-(2-bromo-6-pyrrolidin-1-ylpyridine-4-sulfonyl)phenylamine, a potent and selective 5-HT6 receptor antagonist. Abstract: A small series of aryl pyridyl sulfones has been prepared and investigated for its 5-HT(6) receptor binding properties. Thereof, pyrrolidinyl derivative 11 proved to be a very potent (pK(i) 9) and selective 5-HT(6) receptor antagonist. By means of in vivo microdia... aid6529.table aid6529.tbin
6530 1 Title: N1-(Benzenesulfonyl)tryptamines as novel 5-HT6 antagonists. Abstract: N-Benzenesulfonyl-5-methoxy-N,N-dimethyltryptamine (BS/5-OMe DMT; 5) was shown to bind at human 5-HT6 serotonin receptors with high affinity (Ki = 2.3 nM) relative to serotonin (Ki = 78 nM). Structural variation failed to result in significantly enhanced affinity. BS/5-OMe DMT acts as an antagonist of 5-HT-stimulated adenylate cyclase (pA2 = 8.88 nM) and may represent the first member of a novel class of 5-HT6 antagonis... aid6530.table aid6530.tbin
6531 2 Title: Tetrahydrothienopyridylbutyl-tetrahydrobenzindoles: new selective ligands of the 5-HT(7) receptor. Abstract: The synthesis and the affinity for the 5-HT(7) receptor and other receptors of a novel series of fused-ring tetrahydropyridine derivatives are described. Some of the compounds showed high affinity for the 5-HT(7) receptor. Tetrahydrothienopyridylbutyl-tetrahydrobenzindoles and are potent ligands for the 5-HT(7) receptor, with high selectivity over the 5-HT(2) receptor and other rec... aid6531.table aid6531.tbin
6532 27 Title: Novel (4-piperazin-1-ylquinolin-6-yl) arylsulfonamides with high affinity and selectivity for the 5-HT(6) receptor. Abstract: The discovery of (4-piperazin-1-ylquinolin-6-yl) arylsulfonamides and their binding affinities for a selection of 5-HT and dopamine subreceptors is described. Many compounds show high affinity (pK(i)&gt;8) for the 5-HT(6) receptor and &gt;100-fold selectivity against a range of other receptors. Structure-activity relationships of these compounds are discussed. aid6532.table aid6532.tbin
6533 8 Title: Novel (4-piperazin-1-ylquinolin-6-yl) arylsulfonamides with high affinity and selectivity for the 5-HT(6) receptor. Abstract: The discovery of (4-piperazin-1-ylquinolin-6-yl) arylsulfonamides and their binding affinities for a selection of 5-HT and dopamine subreceptors is described. Many compounds show high affinity (pK(i)&gt;8) for the 5-HT(6) receptor and &gt;100-fold selectivity against a range of other receptors. Structure-activity relationships of these compounds are discussed. aid6533.table aid6533.tbin
6534 1 Title: Novel (4-piperazin-1-ylquinolin-6-yl) arylsulfonamides with high affinity and selectivity for the 5-HT(6) receptor. Abstract: The discovery of (4-piperazin-1-ylquinolin-6-yl) arylsulfonamides and their binding affinities for a selection of 5-HT and dopamine subreceptors is described. Many compounds show high affinity (pK(i)&gt;8) for the 5-HT(6) receptor and &gt;100-fold selectivity against a range of other receptors. Structure-activity relationships of these compounds are discussed. aid6534.table aid6534.tbin
6535 1 Title: A novel ergot alkaloid as a 5-HT(1A) inhibitor produced by Dicyma sp. Abstract: In the course of a search for small-molecule inhibitors of 5-hydroxytryptamine receptors we have identified a novel ergoline derivative (1) from the fungal culture of Dicyma sp. This compound has a pK(i) of 10.2 versus the 5-hydroxytryptamine(1A) receptor subtype. The structure was elucidated by extensive NMR spectroscopy and mass spectrometry. aid6535.table aid6535.tbin
6536 3 Title: A novel ergot alkaloid as a 5-HT(1A) inhibitor produced by Dicyma sp. Abstract: In the course of a search for small-molecule inhibitors of 5-hydroxytryptamine receptors we have identified a novel ergoline derivative (1) from the fungal culture of Dicyma sp. This compound has a pK(i) of 10.2 versus the 5-hydroxytryptamine(1A) receptor subtype. The structure was elucidated by extensive NMR spectroscopy and mass spectrometry. aid6536.table aid6536.tbin
6537 1 Title: A novel ergot alkaloid as a 5-HT(1A) inhibitor produced by Dicyma sp. Abstract: In the course of a search for small-molecule inhibitors of 5-hydroxytryptamine receptors we have identified a novel ergoline derivative (1) from the fungal culture of Dicyma sp. This compound has a pK(i) of 10.2 versus the 5-hydroxytryptamine(1A) receptor subtype. The structure was elucidated by extensive NMR spectroscopy and mass spectrometry. aid6537.table aid6537.tbin
6538 1 Title: A novel, potent, and selective 5-HT(7) antagonist: (R)-3-(2-(2-(4-methylpiperidin-1-yl)ethyl)pyrrolidine-1-sulfonyl) phen ol (SB-269970). aid6538.table aid6538.tbin
6539 2 Title: A novel, potent, and selective 5-HT(7) antagonist: (R)-3-(2-(2-(4-methylpiperidin-1-yl)ethyl)pyrrolidine-1-sulfonyl) phen ol (SB-269970). aid6539.table aid6539.tbin
6540 1 Title: A novel, potent, and selective 5-HT(7) antagonist: (R)-3-(2-(2-(4-methylpiperidin-1-yl)ethyl)pyrrolidine-1-sulfonyl) phen ol (SB-269970). aid6540.table aid6540.tbin
6541 5 Title: A novel, potent, and selective 5-HT(7) antagonist: (R)-3-(2-(2-(4-methylpiperidin-1-yl)ethyl)pyrrolidine-1-sulfonyl) phen ol (SB-269970). aid6541.table aid6541.tbin
6542 1 Title: A novel, potent, and selective 5-HT(7) antagonist: (R)-3-(2-(2-(4-methylpiperidin-1-yl)ethyl)pyrrolidine-1-sulfonyl) phen ol (SB-269970). aid6542.table aid6542.tbin
6543 1 Title: Identification of a novel series of selective 5-HT7 receptor antagonists. Abstract: Novel 5-HT(7) receptor antagonists containing the benzocycloheptanone core were identified from high throughput screening. Molecular modelling and SAR studies have converted these intractable hits into a more potent, selective and tractable series, exemplified by compound (25), SB-691673. aid6543.table aid6543.tbin
6544 6 Title: Influence of the 5-HT6 receptor on acetylcholine release in the cortex: pharmacological characterization of 4-(2-bromo-6-pyrrolidin-1-ylpyridine-4-sulfonyl)phenylamine, a potent and selective 5-HT6 receptor antagonist. Abstract: A small series of aryl pyridyl sulfones has been prepared and investigated for its 5-HT(6) receptor binding properties. Thereof, pyrrolidinyl derivative 11 proved to be a very potent (pK(i) 9) and selective 5-HT(6) receptor antagonist. By means of in vivo microdia... aid6544.table aid6544.tbin
6545 1 Title: Tetrahydrobenzindoles: selective antagonists of the 5-HT7 receptor. aid6545.table aid6545.tbin
6546 40 Title: Phenyl benzenesulfonamides are novel and selective 5-HT6 antagonists: identification of N-(2,5-dibromo-3-fluorophenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide (SB-357134). Abstract: Substituted N-phenyl-4-methoxy-3-piperazin-1-ylbenzenesulfonamides and conformationally restricted analogues have been identified as high affinity and selective 5-HT6 antagonists. Compounds from this series had a range of pharmacokinetic profiles in rat and in general there was a correlation between clear... aid6546.table aid6546.tbin
6547 16 Title: 5-Chloro-N-(4-methoxy-3-piperazin-1-yl- phenyl)-3-methyl-2-benzothiophenesulfon- amide (SB-271046): a potent, selective, and orally bioavailable 5-HT6 receptor antagonist. aid6547.table aid6547.tbin
6548 1 Title: SB-656104-A: a novel 5-HT(7) receptor antagonist with improved in vivo properties. Abstract: A focused SAR study around the previously reported selective 5-HT(7) receptor antagonist, SB-269970-A has resulted in the identification of a structurally related analogue having an improved pharmacokinetic profile. Replacement of the phenolic group in SB-269970-A with an indole moiety, and replacement of the piperidinyl 4-methyl group with a heterocyclic ring system proved to be the key changes l... aid6548.table aid6548.tbin
6549 1 Title: 2a-[4-(Tetrahydropyridoindol-2-yl)butyl]tetrahydrobenzindole derivatives: new selective antagonists of the 5-hydroxytryptamine7 receptor. Abstract: A series of tetrahydrobenzindoles was prepared, and the affinity of these compounds for the 5-hydroxytryptamine7 (5-HT7) receptor and other receptors was evaluated. Most of the compounds showed high affinity for the 5-HT7 receptor, and 2a-[4-(tetrahydropyridoindol-2-yl)butyl]tetrahydrobenzindole derivatives (26a-j) exhibited high selectivity f... aid6549.table aid6549.tbin
6550 1 Title: (R)-3,N-dimethyl-N-[1-methyl-3-(4-methyl-piperidin-1-yl) propyl]benzenesulfonamide: the first selective 5-HT7 receptor antagonist. aid6550.table aid6550.tbin
6551 3 Title: Bicyclic piperazinylbenzenesulphonamides are potent and selective 5-HT6 receptor antagonists. Abstract: The synthesis of novel 3-(octahydropyrido[1,2-a]pyrazin-2-yl)- and 3-(hexahydropyrrolo[1,2-a]pyrazin-2-yl)phenyl-2-benzo[b]thiophene sulphonamide derivatives 3, (S)-4 and (R)-4 is described. The compounds show high affinity for the 5-HT6 receptor, excellent selectivity against a range of other receptors and good brain penetration. aid6551.table aid6551.tbin
6552 1 Title: Bicyclic piperazinylbenzenesulphonamides are potent and selective 5-HT6 receptor antagonists. Abstract: The synthesis of novel 3-(octahydropyrido[1,2-a]pyrazin-2-yl)- and 3-(hexahydropyrrolo[1,2-a]pyrazin-2-yl)phenyl-2-benzo[b]thiophene sulphonamide derivatives 3, (S)-4 and (R)-4 is described. The compounds show high affinity for the 5-HT6 receptor, excellent selectivity against a range of other receptors and good brain penetration. aid6552.table aid6552.tbin
6553 1 Title: Bicyclic piperazinylbenzenesulphonamides are potent and selective 5-HT6 receptor antagonists. Abstract: The synthesis of novel 3-(octahydropyrido[1,2-a]pyrazin-2-yl)- and 3-(hexahydropyrrolo[1,2-a]pyrazin-2-yl)phenyl-2-benzo[b]thiophene sulphonamide derivatives 3, (S)-4 and (R)-4 is described. The compounds show high affinity for the 5-HT6 receptor, excellent selectivity against a range of other receptors and good brain penetration. aid6553.table aid6553.tbin
6554 1 Title: 3-[3-(Piperidin-1-yl)propyl]indoles as highly selective h5-HT(1D) receptor agonists. Abstract: Several 5-HT(1D/1B) receptor agonists are now entering the marketplace as treatments for migraine. This paper describes the development of selective h5-HT(1D) receptor agonists as potential antimigraine agents which may produce fewer side effects. A series of 3-[3-(piperidin-1-yl)propyl]indoles has been synthesized which has led to the identification of 80 (L-772,405), a high-affinity h5-HT(1D) ... aid6554.table aid6554.tbin
6555 1 Title: (R)-(+)-2-[[[3-(Morpholinomethyl)-2H-chromen-8-yl]oxy]methyl] morpholine methanesulfonate: a new selective rat 5-hydroxytryptamine1B receptor antagonist. Abstract: In the search for new 5-hydroxytryptamine (5-HT) receptor antagonists it was found that the compound (R)-(+)-2-[[[3-(morpholinomethyl)-2H-chromen-8-yl]oxy] methyl] morpholine methanesulfonate, (R)-25, is a selective rat 5-hydroxytryptamine1B (r5-HT1B) receptor antagonist. The binding profile showed a 13-fold preference for r5-H... aid6555.table aid6555.tbin
6556 1 Title: N-Substituted (2,3-dihydro-1,4-benzodioxin-2-yl)methylamine derivatives as D(2) antagonists/5-HT(1A) partial agonists with potential as atypical antipsychotic agents. Abstract: A series of N-substituted 1-(2,3-dihydro-1, 4-benzodioxin-2-yl)methylamine derivatives with D(2) antagonist/5-HT(1A) partial agonist activity has been prepared as potential atypical antipsychotic agents. Optimization of in vitro receptor binding activity and in vivo activity in rodent models of psychosis has led to... aid6556.table aid6556.tbin
6557 1 Title: Discovery and SAR of org 24598-a selective glycine uptake inhibitor. Abstract: The discovery of Org 24598, one of the first potent and selective inhibitors of the glycine transporter is discussed. In vitro structure-activity relationships (SARs) data for interaction of a ligand with this system is discussed. aid6557.table aid6557.tbin
6558 1 Title: N-Arylsulfonylindole derivatives as serotonin 5-HT(6) receptor ligands. Abstract: A series of N(1)-arylsulfonyltryptamines were found to be potent ligands of the human serotonin 5-HT(6) receptor with the 5-methoxy-1-benzenesulfonyl analogue (19) having the highest affinity. Additionally, it was discovered that a group such as 3-(3-methoxybenzyl)-1,2,4-oxadiazol-5-yl in the 2-position of the indole ring (43) can replace the arylsulfonyl substituent in the 1-position with no loss of affinit... aid6558.table aid6558.tbin
6559 2 Title: Combinatorial synthesis of 3-(amidoalkyl) and 3-(aminoalkyl)-2-arylindole derivatives: discovery of potent ligands for a variety of G-protein coupled receptors. Abstract: Preparation and screening of mixture libraries based on a 2-arylindole scaffold resulted in the discovery of potent ligands for a variety of G-protein coupled receptors. aid6559.table aid6559.tbin
6560 1 Title: First tricyclic oximino derivatives as 5-HT3 ligands. Abstract: The design and synthesis of a new type of 5-HT3 ligand with subnanomolar affinity are described. The O-dialkylaminoethyloximinothienopyrrolizine structure was deduced from molecular modeling studies by replacement of an amidine moiety by an oximino one. aid6560.table aid6560.tbin
6561 2 Title: Higher-end serotonin receptors: 5-HT(5), 5-HT(6), and 5-HT(7). aid6561.table aid6561.tbin
6562 1 Title: Design, synthesis and biological activity of novel dimethyl-[2-[6-substituted-indol-1-yl]-ethyl]-amine as potent, selective, and orally-bioavailable 5-HT(1D) agonists. Abstract: A novel series of highly potent human 5-HT(1D) agonists, dimethyl-[2-[6-substituted-indol-1-yl]-ethyl]-amine, was synthesized. Structure-activity relationship (SAR) investigation revealed 4-[1-(2-dimethylamino-ethyl)-1H-indol-6-yl]-tetrahydro-thiopyran-4-ol, 11b (ALX-2732), as a potent (K(i)=2.4 nM) agonist at the... aid6562.table aid6562.tbin
6563 51 Title: Higher-end serotonin receptors: 5-HT(5), 5-HT(6), and 5-HT(7). aid6563.table aid6563.tbin
6564 1 Title: N-phenylphenylglycines as novel corticotropin releasing factor receptor antagonists. Abstract: Screening of a computationally designed synthetic library led to the discovery of the N-phenylphenylglycines (NPPGs) as a novel class of human corticotropin releasing factor (h-CRF(1)) antagonists. Several NPPGs with greater potency than the original hit 1 were rapidly identified, and resolution of the racemate demonstrated that only the R-enantiomer displays activity. This structural class repr... aid6564.table aid6564.tbin
6565 1 Title: 1-(Bicyclopiperazinyl)ethylindoles and 1-(homopiperazinyl)ethyl-indoles as highly selective and potent 5-HT(7) receptor ligands. Abstract: A novel series of 1-(bicyclopiperazinyl)ethylindole and 1-(homopiperazinyl)ethyl-indole derivatives was synthesized and found to be potent and selective 5-HT(7) receptor ligands. aid6565.table aid6565.tbin
6566 3 Title: Conformationally restricted indolopiperidine derivatives as potent CCR2B receptor antagonists. Abstract: The preparation and biological evaluation of a series of indolopiperidine CCR2B receptor antagonists possessing a conformationally restricted C-5 linker chain in combination with a restricted piperidine ring are described. Compared to the parent compound 1, analogue 8 shows a dramatic improvement in selectivity against a range of 5-HT and dopaminergic receptors. aid6566.table aid6566.tbin
6567 1 Title: Higher-end serotonin receptors: 5-HT(5), 5-HT(6), and 5-HT(7). aid6567.table aid6567.tbin
6568 1 Title: Higher-end serotonin receptors: 5-HT(5), 5-HT(6), and 5-HT(7). aid6568.table aid6568.tbin
6569 2 Title: Conformationally restricted indolopiperidine derivatives as potent CCR2B receptor antagonists. Abstract: The preparation and biological evaluation of a series of indolopiperidine CCR2B receptor antagonists possessing a conformationally restricted C-5 linker chain in combination with a restricted piperidine ring are described. Compared to the parent compound 1, analogue 8 shows a dramatic improvement in selectivity against a range of 5-HT and dopaminergic receptors. aid6569.table aid6569.tbin
6570 1 Title: Design and synthesis of novel 2,3-dihydro-1H-isoindoles with high affinity and selectivity for the dopamine D3 receptor. Abstract: Starting from the tetrahydroisoquinoline SB-277011 1, a novel series of 5-substituted-2,3-dihydro-1H-isoindoles has been designed. Subsequent optimisation resulted in identification of 19, which has high affinity for the dopamine D3 receptor (pKi 8.3) and &gt; or = 100-fold selectivity over other aminergic receptors. In rat studies 19 was brain penetrant with ... aid6570.table aid6570.tbin
6571 1 Title: New benzo[h][1,6]naphthyridine and azepino[3,2-c]quinoline derivatives as selective antagonists of 5-HT4 receptors: binding profile and pharmacological characterization. Abstract: A series of benzo[h][1,6]naphthyridine and azepino[3,2-c]quinoline derivatives were prepared and evaluated to determine the necessary requirements for high affinity on the 5-HT(4) receptors and high selectivity versus other receptors. The compounds were synthesized by substituting the chlorine atom of benzonapht... aid6571.table aid6571.tbin
6572 1 Title: New benzo[h][1,6]naphthyridine and azepino[3,2-c]quinoline derivatives as selective antagonists of 5-HT4 receptors: binding profile and pharmacological characterization. Abstract: A series of benzo[h][1,6]naphthyridine and azepino[3,2-c]quinoline derivatives were prepared and evaluated to determine the necessary requirements for high affinity on the 5-HT(4) receptors and high selectivity versus other receptors. The compounds were synthesized by substituting the chlorine atom of benzonapht... aid6572.table aid6572.tbin
6573 1 Title: Lysergamides of isomeric 2,4-dimethylazetidines map the binding orientation of the diethylamide moiety in the potent hallucinogenic agent N,N-diethyllysergamide (LSD). Abstract: Lysergic acid amides were prepared from (R,R)-(-)-, (S,S)-(+)-, and cis-2,4-dimethyl azetidine. The dimethylazetidine moiety is considered here to be a rigid analogue of diethylamine, and thus, the target compounds are all conformationally constrained analogues of the potent hallucinogenic agent, N,N-diethyllyserg... aid6573.table aid6573.tbin
6574 3 Title: Lysergamides of isomeric 2,4-dimethylazetidines map the binding orientation of the diethylamide moiety in the potent hallucinogenic agent N,N-diethyllysergamide (LSD). Abstract: Lysergic acid amides were prepared from (R,R)-(-)-, (S,S)-(+)-, and cis-2,4-dimethyl azetidine. The dimethylazetidine moiety is considered here to be a rigid analogue of diethylamine, and thus, the target compounds are all conformationally constrained analogues of the potent hallucinogenic agent, N,N-diethyllyserg... aid6574.table aid6574.tbin
6575 1 Title: Higher-end serotonin receptors: 5-HT(5), 5-HT(6), and 5-HT(7). aid6575.table aid6575.tbin
6576 1 Title: Homoazanicotine: a structure-affinity study for nicotinic acetylcholine (nACh) receptor binding. Abstract: We have recently identified 3-[(1-methyl)-4,5-dihydro-1H-imidazol-2-yl)methyl]pyridine (homoazanicotine, 8) as a novel nicotinic acetylcholinergic (nACh) receptor ligand. In the present investigation, after we determined that 8 binds selectively at nicotinic (K(i) = 7.8 nM) vs muscarinic (K(i) &gt; 10,000 nM) acetylcholinergic receptors, we examined its structure-affinity relationshi... aid6576.table aid6576.tbin
6577 1 Title: 8-acenaphthen-1-yl-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one derivatives as orphanin FQ receptor agonists. Abstract: A series of 8-acenaphthen-1-yl-1-phenyl-1,3,8-triaza-spiro[4.5]decan+ ++-4-one derivatives 1 was studied with respect to the binding affinity for the orphanin FQ (OFQ) and opioid (mu, kappa, delta) receptors. The influence of stereochemistry as well as the substitution pattern of the phenyl-ring in position 1 on the affinity for the orphanin FQ receptor and selectivity to... aid6577.table aid6577.tbin
6578 1 Title: New tetrahydrobenzindoles as potent and selective 5-HT(7) antagonists with increased In vitro metabolic stability. Abstract: Chemical modifications of compound 1 (DR4004), a potent, selective antagonist of the 5-HT(7) receptor, were conducted with the aim of improving its metabolic stability. Halogenation of putative sites of oxidative metabolism afforded compounds 7-10, which retained high affinity and selectivity for the 5-HT(7) receptor, and showed increased in vitro metabolic stabilit... aid6578.table aid6578.tbin
6579 11 Title: From hit to lead. Analyzing structure-profile relationships. Abstract: Two compounds, obtained by random screening, and displaying micromolar activities on the mu opiate receptor were used as starting points for optimization. In that work, the traditional concept of the activity of a compound (related to one or a few targets) was extended to the comprehensive pharmacological profile of that compound on more than 70 receptors, transporters, and channels relevant to a CNS-oriented project. ... aid6579.table aid6579.tbin
6580 1 Title: 1-(Bicyclopiperazinyl)ethylindoles and 1-(homopiperazinyl)ethyl-indoles as highly selective and potent 5-HT(7) receptor ligands. Abstract: A novel series of 1-(bicyclopiperazinyl)ethylindole and 1-(homopiperazinyl)ethyl-indole derivatives was synthesized and found to be potent and selective 5-HT(7) receptor ligands. aid6580.table aid6580.tbin
6581 7 Title: Design, synthesis, and structure-activity relationships of phthalimide-phenylpiperazines: a novel series of potent and selective alpha(1)(a)-adrenergic receptor antagonists. Abstract: Beginning from the screening hit and literature alpha(1)-adrenergic compounds, a hybridized basic skeleton A was proposed as the pharmacophore for potent and selective alpha(1a)-AR antagonists. Introduction of a hydroxy group to increase the flexibility afforded B which served as the screening model and resu... aid6581.table aid6581.tbin
6582 1 Title: 6-Bicyclopiperazinyl-1-arylsulfonylindoles and 6-bicyclopiperidinyl-1-arylsulfonylindoles derivatives as novel, potent, and selective 5-HT6 receptor antagonists. Abstract: A novel series of 6-bicyclopiperazinyl-1-arylsulfonylindoles and 6-bicyclopiperidinyl-1-arylsulfonylindoles derivatives was synthesized and found to be potent and selective 5-HT6 receptor antagonists. aid6582.table aid6582.tbin
6583 42 Title: 1-(Bicyclopiperazinyl)ethylindoles and 1-(homopiperazinyl)ethyl-indoles as highly selective and potent 5-HT(7) receptor ligands. Abstract: A novel series of 1-(bicyclopiperazinyl)ethylindole and 1-(homopiperazinyl)ethyl-indole derivatives was synthesized and found to be potent and selective 5-HT(7) receptor ligands. aid6583.table aid6583.tbin
6584 1 Title: (+/-)8-Amino-5,6,7,8-tetrahydroisoquinolines as novel antinociceptive agents. Abstract: Several amine-substituted 8-amino-5,6,7,8-tetrahydroisoquinolines were examined as conformationally-constrained analogs of the nicotinic cholinergic (nACh) 3-(aminomethyl)pyridines. Although these ligands failed to bind at nACh receptors, the N-ethyl-N-methyl analog 3d was found to be at least equipotent with nicotine in rodent tests of antinociception. The mechanism of action of 3d is currently unknow... aid6584.table aid6584.tbin
6585 8 Title: N-Arylsulfonylindole derivatives as serotonin 5-HT(6) receptor ligands. Abstract: A series of N(1)-arylsulfonyltryptamines were found to be potent ligands of the human serotonin 5-HT(6) receptor with the 5-methoxy-1-benzenesulfonyl analogue (19) having the highest affinity. Additionally, it was discovered that a group such as 3-(3-methoxybenzyl)-1,2,4-oxadiazol-5-yl in the 2-position of the indole ring (43) can replace the arylsulfonyl substituent in the 1-position with no loss of affinit... aid6585.table aid6585.tbin
6586 3 Title: Higher-end serotonin receptors: 5-HT(5), 5-HT(6), and 5-HT(7). aid6586.table aid6586.tbin
6587 12 Title: Higher-end serotonin receptors: 5-HT(5), 5-HT(6), and 5-HT(7). aid6587.table aid6587.tbin
6589 15 Title: Thiazoles and thiopyridines: novel series of high affinity h5HT(7) ligands. Abstract: A series of thiazole based 5HT(7) ligands has been identified from screening. Optimisation of the pendent aryl group and modification of the core gave a related series of high affinity, selective thiopyridine based 5HT(7) ligands, the most active of which behaves as a partial agonist. aid6589.table aid6589.tbin
6590 2 Title: Design, synthesis, and structure-activity relationships of phthalimide-phenylpiperazines: a novel series of potent and selective alpha(1)(a)-adrenergic receptor antagonists. Abstract: Beginning from the screening hit and literature alpha(1)-adrenergic compounds, a hybridized basic skeleton A was proposed as the pharmacophore for potent and selective alpha(1a)-AR antagonists. Introduction of a hydroxy group to increase the flexibility afforded B which served as the screening model and resu... aid6590.table aid6590.tbin
6591 4 Title: Binding of beta-carbolines at 5-HT(2) serotonin receptors. Abstract: A series of ring-substituted (i.e., methoxy and bromo) 3,4-dihydro- and 1,2,3,4-tetrahydro-beta-carbolines was examined at 5-HT(2A) and 5-HT(2C) serotonin receptors. Whereas most of the methoxy-substituted derivatives typically displayed affinities similar to their unsubstituted parents, certain (particularly 8-substituted) bromo derivatives displayed enhanced affinity. A binding profile was obtained for selected beta-ca... aid6591.table aid6591.tbin
6592 1 Title: N-[3-(2-Dimethylaminoethyl)-2-methyl-1H- indol-5-yl]-4-fluorobenzamide: a potent, selective, and orally active 5-HT(1F) receptor agonist potentially useful for migraine therapy. Abstract: Recent studies have demonstrated that selective 5-HT(1F) receptor agonists inhibit neurogenic dural inflammation, a model of migraine headache, indicating that these compounds may be effective therapies for the treatment of migraine pain. This communication describes the synthesis and discovery of a nove... aid6592.table aid6592.tbin
6593 1 Title: N1-(Benzenesulfonyl)tryptamines as novel 5-HT6 antagonists. Abstract: N-Benzenesulfonyl-5-methoxy-N,N-dimethyltryptamine (BS/5-OMe DMT; 5) was shown to bind at human 5-HT6 serotonin receptors with high affinity (Ki = 2.3 nM) relative to serotonin (Ki = 78 nM). Structural variation failed to result in significantly enhanced affinity. BS/5-OMe DMT acts as an antagonist of 5-HT-stimulated adenylate cyclase (pA2 = 8.88 nM) and may represent the first member of a novel class of 5-HT6 antagonis... aid6593.table aid6593.tbin
6594 4 Title: 2-Substituted tryptamines: agents with selectivity for 5-HT(6) serotonin receptors. Abstract: Several 2-alkyl-5-methoxytryptamine analogues were designed and prepared as potential 5-HT(6) serotonin agonists. It was found that 5-HT(6) receptors accommodate small alkyl substituents at the indole 2-position and that the resulting compounds can bind with affinities comparable to that of serotonin. In particular, 2-ethyl-5-methoxy-N, N-dimethyltryptamine (8) binds with high affinity at human 5... aid6594.table aid6594.tbin
6595 31 Title: 1-(Bicyclopiperazinyl)ethylindoles and 1-(homopiperazinyl)ethyl-indoles as highly selective and potent 5-HT(7) receptor ligands. Abstract: A novel series of 1-(bicyclopiperazinyl)ethylindole and 1-(homopiperazinyl)ethyl-indole derivatives was synthesized and found to be potent and selective 5-HT(7) receptor ligands. aid6595.table aid6595.tbin
6596 6 Title: Synthesis, receptor potency, and selectivity of halogenated diphenylpiperidines as serotonin 5-HT2A ligands for PET or SPECT brain imaging. Abstract: A series of 4'-substituted phenyl-4-piperidinylmethanol and benzoyl-4-piperidine derivatives was synthesized as potential novel serotonin 5-HT2A receptor ligands that can be radiolabeled for in vivo brain imaging. Compounds were prepared by alkylation of 4-substituted benzoyl-4-piperidine with an iodo- or fluoro-substituted phenylalkyl halid... aid6596.table aid6596.tbin
6597 10 Title: Synthesis, receptor potency, and selectivity of halogenated diphenylpiperidines as serotonin 5-HT2A ligands for PET or SPECT brain imaging. Abstract: A series of 4'-substituted phenyl-4-piperidinylmethanol and benzoyl-4-piperidine derivatives was synthesized as potential novel serotonin 5-HT2A receptor ligands that can be radiolabeled for in vivo brain imaging. Compounds were prepared by alkylation of 4-substituted benzoyl-4-piperidine with an iodo- or fluoro-substituted phenylalkyl halid... aid6597.table aid6597.tbin
6598 11 Title: Synthesis of potent and selective dopamine D(4) antagonists as candidate radioligands. Abstract: A series of dopamine D(4) antagonists was synthesized and evaluated as potential candidates for development as positron emission tomography (PET) radioligands. All new compounds display high affinity and selectivity for the D(4) receptors and compounds 5b, 5d, and 5e were identified as candidates for radioligand development. aid6598.table aid6598.tbin
6599 1 Title: Novel potent 5-HT(1F) receptor agonists: structure-activity studies of a series of substituted N-[3-(1-methyl-4-piperidinyl)-1H-pyrrolo[3,2-b]pyridin-5-yl]amides. Abstract: Compound 1a (LY334370), a selective 5-HT(1F) receptor agonist (SSOFRA), inhibited dural inflammation in the neurogenic plasma protein extravasation model of migraine and demonstrated clinical efficacy for the acute treatment of migraine. Although 1a was greater than 100-fold selective over both the 5-HT(1B) and 5-HT(1D... aid6599.table aid6599.tbin
6600 1 Title: A novel and selective 5-HT2 receptor agonist with ocular hypotensive activity: (S)-(+)-1-(2-aminopropyl)-8,9-dihydropyrano[3,2-e]indole. Abstract: Serotonin 5-HT2 receptor agonists have recently been shown to be effective in lowering intraocular pressure in nonhuman primates and represent a potential new class of antiglaucoma agents. As part of an effort to identify new selective agonists at this receptor, we have found that (S)-(+)-1-(2-aminopropyl)-8,9-dihydropyrano[3,2-e]indole (AL-373... aid6600.table aid6600.tbin
6601 1 Title: Influence of the 5-HT6 receptor on acetylcholine release in the cortex: pharmacological characterization of 4-(2-bromo-6-pyrrolidin-1-ylpyridine-4-sulfonyl)phenylamine, a potent and selective 5-HT6 receptor antagonist. Abstract: A small series of aryl pyridyl sulfones has been prepared and investigated for its 5-HT(6) receptor binding properties. Thereof, pyrrolidinyl derivative 11 proved to be a very potent (pK(i) 9) and selective 5-HT(6) receptor antagonist. By means of in vivo microdia... aid6601.table aid6601.tbin
6602 1 Title: Novel potent 5-HT(1F) receptor agonists: structure-activity studies of a series of substituted N-[3-(1-methyl-4-piperidinyl)-1H-pyrrolo[3,2-b]pyridin-5-yl]amides. Abstract: Compound 1a (LY334370), a selective 5-HT(1F) receptor agonist (SSOFRA), inhibited dural inflammation in the neurogenic plasma protein extravasation model of migraine and demonstrated clinical efficacy for the acute treatment of migraine. Although 1a was greater than 100-fold selective over both the 5-HT(1B) and 5-HT(1D... aid6602.table aid6602.tbin
6603 2 Title: Synthesis and structure-activity relationship of 2-(aminoalkyl)-2,3,3a,8-tetrahydrodibenzo[c,f]isoxazolo[2,3-a]azepine derivatives: a novel series of 5-HT(2A/2C) receptor antagonists. Part 1. Abstract: The synthesis of a series of novel 2-(aminoalkyl)-2,3,3a,8-tetrahydrodibenzo[c,f]isoxazolo[2,3-a]azepine derivatives as well as their 5-HT(2A/2C) and H(1) receptor binding affinities are described. The in vivo activity as potential anxiolytics of the synthesised compounds was measured in a ... aid6603.table aid6603.tbin
6604 2 Title: Synthesis and structure-activity relationship of 2-(aminoalkyl)-2,3,3a,8-tetrahydrodibenzo[c,f]isoxazolo[2,3-a]azepine derivatives: a novel series of 5-HT(2A/2C) receptor antagonists. Part 1. Abstract: The synthesis of a series of novel 2-(aminoalkyl)-2,3,3a,8-tetrahydrodibenzo[c,f]isoxazolo[2,3-a]azepine derivatives as well as their 5-HT(2A/2C) and H(1) receptor binding affinities are described. The in vivo activity as potential anxiolytics of the synthesised compounds was measured in a ... aid6604.table aid6604.tbin
6605 9 Title: Tetrahydrothienopyridylbutyl-tetrahydrobenzindoles: new selective ligands of the 5-HT(7) receptor. Abstract: The synthesis and the affinity for the 5-HT(7) receptor and other receptors of a novel series of fused-ring tetrahydropyridine derivatives are described. Some of the compounds showed high affinity for the 5-HT(7) receptor. Tetrahydrothienopyridylbutyl-tetrahydrobenzindoles and are potent ligands for the 5-HT(7) receptor, with high selectivity over the 5-HT(2) receptor and other rec... aid6605.table aid6605.tbin
6606 5 Title: New tetrahydrobenzindoles as potent and selective 5-HT(7) antagonists with increased In vitro metabolic stability. Abstract: Chemical modifications of compound 1 (DR4004), a potent, selective antagonist of the 5-HT(7) receptor, were conducted with the aim of improving its metabolic stability. Halogenation of putative sites of oxidative metabolism afforded compounds 7-10, which retained high affinity and selectivity for the 5-HT(7) receptor, and showed increased in vitro metabolic stabilit... aid6606.table aid6606.tbin
6607 9 Title: Novel (4-piperazin-1-ylquinolin-6-yl) arylsulfonamides with high affinity and selectivity for the 5-HT(6) receptor. Abstract: The discovery of (4-piperazin-1-ylquinolin-6-yl) arylsulfonamides and their binding affinities for a selection of 5-HT and dopamine subreceptors is described. Many compounds show high affinity (pK(i)&gt;8) for the 5-HT(6) receptor and &gt;100-fold selectivity against a range of other receptors. Structure-activity relationships of these compounds are discussed. aid6607.table aid6607.tbin
6608 21 Title: Identification of a novel series of selective 5-HT7 receptor antagonists. Abstract: Novel 5-HT(7) receptor antagonists containing the benzocycloheptanone core were identified from high throughput screening. Molecular modelling and SAR studies have converted these intractable hits into a more potent, selective and tractable series, exemplified by compound (25), SB-691673. aid6608.table aid6608.tbin
6609 16 Title: Optimization of the pharmacophore model for 5-HT7R antagonism. Design and synthesis of new naphtholactam and naphthosultam derivatives. Abstract: We present in this study an optimization of a preliminary pharmacophore model for 5-HT(7)R antagonism, with the incorporation of recently reported ligands and using an efficient procedure with the CATALYST program. The model consists of five features: a positive ionizable atom (PI), a H-bonding acceptor group (HBA), and three hydrophobic regions... aid6609.table aid6609.tbin
6610 8 Title: Optimization of the pharmacophore model for 5-HT7R antagonism. Design and synthesis of new naphtholactam and naphthosultam derivatives. Abstract: We present in this study an optimization of a preliminary pharmacophore model for 5-HT(7)R antagonism, with the incorporation of recently reported ligands and using an efficient procedure with the CATALYST program. The model consists of five features: a positive ionizable atom (PI), a H-bonding acceptor group (HBA), and three hydrophobic regions... aid6610.table aid6610.tbin
6611 5 Title: A novel ergot alkaloid as a 5-HT(1A) inhibitor produced by Dicyma sp. Abstract: In the course of a search for small-molecule inhibitors of 5-hydroxytryptamine receptors we have identified a novel ergoline derivative (1) from the fungal culture of Dicyma sp. This compound has a pK(i) of 10.2 versus the 5-hydroxytryptamine(1A) receptor subtype. The structure was elucidated by extensive NMR spectroscopy and mass spectrometry. aid6611.table aid6611.tbin
6612 40 Title: 2a-[4-(Tetrahydropyridoindol-2-yl)butyl]tetrahydrobenzindole derivatives: new selective antagonists of the 5-hydroxytryptamine7 receptor. Abstract: A series of tetrahydrobenzindoles was prepared, and the affinity of these compounds for the 5-hydroxytryptamine7 (5-HT7) receptor and other receptors was evaluated. Most of the compounds showed high affinity for the 5-HT7 receptor, and 2a-[4-(tetrahydropyridoindol-2-yl)butyl]tetrahydrobenzindole derivatives (26a-j) exhibited high selectivity f... aid6612.table aid6612.tbin
6613 1 Title: A novel, potent, and selective 5-HT(7) antagonist: (R)-3-(2-(2-(4-methylpiperidin-1-yl)ethyl)pyrrolidine-1-sulfonyl) phen ol (SB-269970). aid6613.table aid6613.tbin
6614 5 Title: A novel, potent, and selective 5-HT(7) antagonist: (R)-3-(2-(2-(4-methylpiperidin-1-yl)ethyl)pyrrolidine-1-sulfonyl) phen ol (SB-269970). aid6614.table aid6614.tbin
6615 1 Title: A novel, potent, and selective 5-HT(7) antagonist: (R)-3-(2-(2-(4-methylpiperidin-1-yl)ethyl)pyrrolidine-1-sulfonyl) phen ol (SB-269970). aid6615.table aid6615.tbin
6616 2 Title: A novel, potent, and selective 5-HT(7) antagonist: (R)-3-(2-(2-(4-methylpiperidin-1-yl)ethyl)pyrrolidine-1-sulfonyl) phen ol (SB-269970). aid6616.table aid6616.tbin
6617 2 Title: A novel, potent, and selective 5-HT(7) antagonist: (R)-3-(2-(2-(4-methylpiperidin-1-yl)ethyl)pyrrolidine-1-sulfonyl) phen ol (SB-269970). aid6617.table aid6617.tbin
6618 4 Title: Influence of the 5-HT6 receptor on acetylcholine release in the cortex: pharmacological characterization of 4-(2-bromo-6-pyrrolidin-1-ylpyridine-4-sulfonyl)phenylamine, a potent and selective 5-HT6 receptor antagonist. Abstract: A small series of aryl pyridyl sulfones has been prepared and investigated for its 5-HT(6) receptor binding properties. Thereof, pyrrolidinyl derivative 11 proved to be a very potent (pK(i) 9) and selective 5-HT(6) receptor antagonist. By means of in vivo microdia... aid6618.table aid6618.tbin
6619 2 Title: Phenyl benzenesulfonamides are novel and selective 5-HT6 antagonists: identification of N-(2,5-dibromo-3-fluorophenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide (SB-357134). Abstract: Substituted N-phenyl-4-methoxy-3-piperazin-1-ylbenzenesulfonamides and conformationally restricted analogues have been identified as high affinity and selective 5-HT6 antagonists. Compounds from this series had a range of pharmacokinetic profiles in rat and in general there was a correlation between clear... aid6619.table aid6619.tbin
6620 1 Title: Phenyl benzenesulfonamides are novel and selective 5-HT6 antagonists: identification of N-(2,5-dibromo-3-fluorophenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide (SB-357134). Abstract: Substituted N-phenyl-4-methoxy-3-piperazin-1-ylbenzenesulfonamides and conformationally restricted analogues have been identified as high affinity and selective 5-HT6 antagonists. Compounds from this series had a range of pharmacokinetic profiles in rat and in general there was a correlation between clear... aid6620.table aid6620.tbin
6621 1 Title: Phenyl benzenesulfonamides are novel and selective 5-HT6 antagonists: identification of N-(2,5-dibromo-3-fluorophenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide (SB-357134). Abstract: Substituted N-phenyl-4-methoxy-3-piperazin-1-ylbenzenesulfonamides and conformationally restricted analogues have been identified as high affinity and selective 5-HT6 antagonists. Compounds from this series had a range of pharmacokinetic profiles in rat and in general there was a correlation between clear... aid6621.table aid6621.tbin
6622 11 Title: First pharmacophoric hypothesis for 5-HT7 antagonism. Abstract: In order to make the first contribution to the elucidation of essential structural features for 5-HT7 antagonism, a set of thirty 5-HT7 antagonists were selected from the literature. A pharmacophore model was built using Molecular Modeling studies with Catalyst program. The information contained in this model was validated with new synthesized compounds. aid6622.table aid6622.tbin
6623 7 Title: First pharmacophoric hypothesis for 5-HT7 antagonism. Abstract: In order to make the first contribution to the elucidation of essential structural features for 5-HT7 antagonism, a set of thirty 5-HT7 antagonists were selected from the literature. A pharmacophore model was built using Molecular Modeling studies with Catalyst program. The information contained in this model was validated with new synthesized compounds. aid6623.table aid6623.tbin
6624 8 Title: Tetrahydrobenzindoles: selective antagonists of the 5-HT7 receptor. aid6624.table aid6624.tbin
6625 3 Title: 5-Chloro-N-(4-methoxy-3-piperazin-1-yl- phenyl)-3-methyl-2-benzothiophenesulfon- amide (SB-271046): a potent, selective, and orally bioavailable 5-HT6 receptor antagonist. aid6625.table aid6625.tbin
6626 15 Title: SB-656104-A: a novel 5-HT(7) receptor antagonist with improved in vivo properties. Abstract: A focused SAR study around the previously reported selective 5-HT(7) receptor antagonist, SB-269970-A has resulted in the identification of a structurally related analogue having an improved pharmacokinetic profile. Replacement of the phenolic group in SB-269970-A with an indole moiety, and replacement of the piperidinyl 4-methyl group with a heterocyclic ring system proved to be the key changes l... aid6626.table aid6626.tbin
6627 1 Title: SB-656104-A: a novel 5-HT(7) receptor antagonist with improved in vivo properties. Abstract: A focused SAR study around the previously reported selective 5-HT(7) receptor antagonist, SB-269970-A has resulted in the identification of a structurally related analogue having an improved pharmacokinetic profile. Replacement of the phenolic group in SB-269970-A with an indole moiety, and replacement of the piperidinyl 4-methyl group with a heterocyclic ring system proved to be the key changes l... aid6627.table aid6627.tbin
6628 9 Title: (R)-3,N-dimethyl-N-[1-methyl-3-(4-methyl-piperidin-1-yl) propyl]benzenesulfonamide: the first selective 5-HT7 receptor antagonist. aid6628.table aid6628.tbin
6629 1 Title: (R)-3,N-dimethyl-N-[1-methyl-3-(4-methyl-piperidin-1-yl) propyl]benzenesulfonamide: the first selective 5-HT7 receptor antagonist. aid6629.table aid6629.tbin
6630 1 Title: (R)-3,N-dimethyl-N-[1-methyl-3-(4-methyl-piperidin-1-yl) propyl]benzenesulfonamide: the first selective 5-HT7 receptor antagonist. aid6630.table aid6630.tbin
6631 5 Title: Bicyclic piperazinylbenzenesulphonamides are potent and selective 5-HT6 receptor antagonists. Abstract: The synthesis of novel 3-(octahydropyrido[1,2-a]pyrazin-2-yl)- and 3-(hexahydropyrrolo[1,2-a]pyrazin-2-yl)phenyl-2-benzo[b]thiophene sulphonamide derivatives 3, (S)-4 and (R)-4 is described. The compounds show high affinity for the 5-HT6 receptor, excellent selectivity against a range of other receptors and good brain penetration. aid6631.table aid6631.tbin
6632 1 Title: A novel and selective 5-HT2 receptor agonist with ocular hypotensive activity: (S)-(+)-1-(2-aminopropyl)-8,9-dihydropyrano[3,2-e]indole. Abstract: Serotonin 5-HT2 receptor agonists have recently been shown to be effective in lowering intraocular pressure in nonhuman primates and represent a potential new class of antiglaucoma agents. As part of an effort to identify new selective agonists at this receptor, we have found that (S)-(+)-1-(2-aminopropyl)-8,9-dihydropyrano[3,2-e]indole (AL-373... aid6632.table aid6632.tbin
6633 1 Title: Higher-end serotonin receptors: 5-HT(5), 5-HT(6), and 5-HT(7). aid6633.table aid6633.tbin
6634 1 Title: A novel series of 2,5-substituted tryptamine derivatives as vascular 5HT1B/1D receptor antagonists. Abstract: The design, synthesis, and activity of a novel series of 2,5-substituted tryptamine derivatives at vascular 5HT1B-like receptors is described. Several important auxiliary binding sites of the 5HT1B-like receptor have been proposed following various modifications to the 2-substituent and especially to the methylene- or ethylene-linked 5-side chain. Careful design of new molecules b... aid6634.table aid6634.tbin
6635 1 Title: 3-[3-(Piperidin-1-yl)propyl]indoles as highly selective h5-HT(1D) receptor agonists. Abstract: Several 5-HT(1D/1B) receptor agonists are now entering the marketplace as treatments for migraine. This paper describes the development of selective h5-HT(1D) receptor agonists as potential antimigraine agents which may produce fewer side effects. A series of 3-[3-(piperidin-1-yl)propyl]indoles has been synthesized which has led to the identification of 80 (L-772,405), a high-affinity h5-HT(1D) ... aid6635.table aid6635.tbin
6636 1 Title: Atropisomeric derivatives of 2',6'-disubstituted (R)-11-phenylaporphine: selective serotonin 5-HT(7) receptor antagonists. aid6636.table aid6636.tbin
6637 1 Title: Atropisomeric derivatives of 2',6'-disubstituted (R)-11-phenylaporphine: selective serotonin 5-HT(7) receptor antagonists. aid6637.table aid6637.tbin
6638 1 Title: Atropisomeric derivatives of 2',6'-disubstituted (R)-11-phenylaporphine: selective serotonin 5-HT(7) receptor antagonists. aid6638.table aid6638.tbin
6639 1 Title: Atropisomeric derivatives of 2',6'-disubstituted (R)-11-phenylaporphine: selective serotonin 5-HT(7) receptor antagonists. aid6639.table aid6639.tbin
6640 1 Title: Atropisomeric derivatives of 2',6'-disubstituted (R)-11-phenylaporphine: selective serotonin 5-HT(7) receptor antagonists. aid6640.table aid6640.tbin
6641 1 Title: Atropisomeric derivatives of 2',6'-disubstituted (R)-11-phenylaporphine: selective serotonin 5-HT(7) receptor antagonists. aid6641.table aid6641.tbin
6642 2 Title: Atropisomeric derivatives of 2',6'-disubstituted (R)-11-phenylaporphine: selective serotonin 5-HT(7) receptor antagonists. aid6642.table aid6642.tbin
6643 2 Title: Atropisomeric derivatives of 2',6'-disubstituted (R)-11-phenylaporphine: selective serotonin 5-HT(7) receptor antagonists. aid6643.table aid6643.tbin
6644 2 Title: Atropisomeric derivatives of 2',6'-disubstituted (R)-11-phenylaporphine: selective serotonin 5-HT(7) receptor antagonists. aid6644.table aid6644.tbin
6645 1 Title: Atropisomeric derivatives of 2',6'-disubstituted (R)-11-phenylaporphine: selective serotonin 5-HT(7) receptor antagonists. aid6645.table aid6645.tbin
6646 1 Title: Atropisomeric derivatives of 2',6'-disubstituted (R)-11-phenylaporphine: selective serotonin 5-HT(7) receptor antagonists. aid6646.table aid6646.tbin
6647 1 Title: Atropisomeric derivatives of 2',6'-disubstituted (R)-11-phenylaporphine: selective serotonin 5-HT(7) receptor antagonists. aid6647.table aid6647.tbin
6648 18 Title: Higher-end serotonin receptors: 5-HT(5), 5-HT(6), and 5-HT(7). aid6648.table aid6648.tbin
6649 1 Title: Higher-end serotonin receptors: 5-HT(5), 5-HT(6), and 5-HT(7). aid6649.table aid6649.tbin
6650 24 Title: Synthesis and structure-affinity relationships of 1-[omega-(4-aryl-1-piperazinyl)alkyl]-1-aryl ketones as 5-HT(7) receptor ligands. Abstract: Structural requirements for 5-HT(7) receptor affinity and selectivity over that for the 5-HT(1A) receptor were studied on a series of 1-[omega-(4-aryl-1-piperazinyl)alkyl]-1-aryl ketones. The presence of a hydroxy or methoxy substituent on aryl ketone moiety, alkyl chain length, and the nature of N-1-piperazine substituent were explored. 6-[4-(3-Ben... aid6650.table aid6650.tbin
6651 1 Title: (R)-(+)-2-[[[3-(Morpholinomethyl)-2H-chromen-8-yl]oxy]methyl] morpholine methanesulfonate: a new selective rat 5-hydroxytryptamine1B receptor antagonist. Abstract: In the search for new 5-hydroxytryptamine (5-HT) receptor antagonists it was found that the compound (R)-(+)-2-[[[3-(morpholinomethyl)-2H-chromen-8-yl]oxy] methyl] morpholine methanesulfonate, (R)-25, is a selective rat 5-hydroxytryptamine1B (r5-HT1B) receptor antagonist. The binding profile showed a 13-fold preference for r5-H... aid6651.table aid6651.tbin
6652 9 Title: Derivatives of (R)-1,11-methyleneaporphine: synthesis, structure, and interactions with G-protein coupled receptors. Abstract: The design and synthesis of a well-characterized novel ring system, (R)-lambda1,11-methyleneaporphine [(R)-4], and 15 derivatives thereof are presented. The addition of various nucleophiles to (R)-lambda1,11-carbonylaporphine [(R)-11] or to the 1,11-hydroxymethyleneaporphine epimers gave separable mixtures of epimers. The epimeric ratios obtained in most reactions... aid6652.table aid6652.tbin
6653 13 Title: Derivatives of (R)-1,11-methyleneaporphine: synthesis, structure, and interactions with G-protein coupled receptors. Abstract: The design and synthesis of a well-characterized novel ring system, (R)-lambda1,11-methyleneaporphine [(R)-4], and 15 derivatives thereof are presented. The addition of various nucleophiles to (R)-lambda1,11-carbonylaporphine [(R)-11] or to the 1,11-hydroxymethyleneaporphine epimers gave separable mixtures of epimers. The epimeric ratios obtained in most reactions... aid6653.table aid6653.tbin
6654 12 Title: Atropisomeric derivatives of 2',6'-disubstituted (R)-11-phenylaporphine: selective serotonin 5-HT(7) receptor antagonists. aid6654.table aid6654.tbin
6655 8 Title: Serotonergic and dopaminergic activities of rigidified (R)-aporphine derivatives. Abstract: Novel rigidified (R)-aporphine derivatives were synthesized from (R)-1,11-carbonylaporphine by ring expansion reactions. The structures of the novel analogues were assigned by NMR spectroscopy and X-ray crystallography. The compounds showed moderate affinities and selectivities at serotonin S-HT1A and 5-HT7 and dopamine D2A receptors. aid6655.table aid6655.tbin
6656 1 Title: N-Substituted (2,3-dihydro-1,4-benzodioxin-2-yl)methylamine derivatives as D(2) antagonists/5-HT(1A) partial agonists with potential as atypical antipsychotic agents. Abstract: A series of N-substituted 1-(2,3-dihydro-1, 4-benzodioxin-2-yl)methylamine derivatives with D(2) antagonist/5-HT(1A) partial agonist activity has been prepared as potential atypical antipsychotic agents. Optimization of in vitro receptor binding activity and in vivo activity in rodent models of psychosis has led to... aid6656.table aid6656.tbin
6657 2 Title: Atropisomeric derivatives of 2',6'-disubstituted (R)-11-phenylaporphine: selective serotonin 5-HT(7) receptor antagonists. aid6657.table aid6657.tbin
6658 2 Title: Atropisomeric derivatives of 2',6'-disubstituted (R)-11-phenylaporphine: selective serotonin 5-HT(7) receptor antagonists. aid6658.table aid6658.tbin
6659 1 Title: Atropisomeric derivatives of 2',6'-disubstituted (R)-11-phenylaporphine: selective serotonin 5-HT(7) receptor antagonists. aid6659.table aid6659.tbin
6660 1 Title: Atropisomeric derivatives of 2',6'-disubstituted (R)-11-phenylaporphine: selective serotonin 5-HT(7) receptor antagonists. aid6660.table aid6660.tbin
6661 1 Title: Synthesis and structure-affinity relationships of 1-[omega-(4-aryl-1-piperazinyl)alkyl]-1-aryl ketones as 5-HT(7) receptor ligands. Abstract: Structural requirements for 5-HT(7) receptor affinity and selectivity over that for the 5-HT(1A) receptor were studied on a series of 1-[omega-(4-aryl-1-piperazinyl)alkyl]-1-aryl ketones. The presence of a hydroxy or methoxy substituent on aryl ketone moiety, alkyl chain length, and the nature of N-1-piperazine substituent were explored. 6-[4-(3-Ben... aid6661.table aid6661.tbin
6662 2 Title: Synthesis and structure-affinity relationships of 1-[omega-(4-aryl-1-piperazinyl)alkyl]-1-aryl ketones as 5-HT(7) receptor ligands. Abstract: Structural requirements for 5-HT(7) receptor affinity and selectivity over that for the 5-HT(1A) receptor were studied on a series of 1-[omega-(4-aryl-1-piperazinyl)alkyl]-1-aryl ketones. The presence of a hydroxy or methoxy substituent on aryl ketone moiety, alkyl chain length, and the nature of N-1-piperazine substituent were explored. 6-[4-(3-Ben... aid6662.table aid6662.tbin
6663 1 Title: Synthesis and structure-affinity relationships of 1-[omega-(4-aryl-1-piperazinyl)alkyl]-1-aryl ketones as 5-HT(7) receptor ligands. Abstract: Structural requirements for 5-HT(7) receptor affinity and selectivity over that for the 5-HT(1A) receptor were studied on a series of 1-[omega-(4-aryl-1-piperazinyl)alkyl]-1-aryl ketones. The presence of a hydroxy or methoxy substituent on aryl ketone moiety, alkyl chain length, and the nature of N-1-piperazine substituent were explored. 6-[4-(3-Ben... aid6663.table aid6663.tbin
6664 14 Title: Discovery of a series of (4,5-dihydroimidazol-2-yl)-biphenylamine 5-HT7 agonists. Abstract: A novel (4,5-dihydroimidazol-2-yl)-biphenylamine series of 5-HT(7) agonist compounds was developed from a structurally related lead compound 1. The newly discovered series is exemplified by compound 2 that possesses high affinity for 5-HT(7) receptors and shows intrinsic agonist activity in functional assays. This new series has significant alpha(1) and alpha(2) activities perhaps due to the presen... aid6664.table aid6664.tbin
6665 1 Title: Discovery and SAR of org 24598-a selective glycine uptake inhibitor. Abstract: The discovery of Org 24598, one of the first potent and selective inhibitors of the glycine transporter is discussed. In vitro structure-activity relationships (SARs) data for interaction of a ligand with this system is discussed. aid6665.table aid6665.tbin
6666 20 Title: Characterization of the 5-HT(7) receptor. Determination of the pharmacophore for 5-HT(7) receptor agonism and CoMFA-based modeling of the agonist binding site. Abstract: On the basis of a set of 20 diverse 5-HT(7) receptor agonists, the pharmacophore for 5-HT(7) receptor agonism was determined. Additionally two CoMFA models were developed, based on different alignments of the agonists. Both models show good correlations between experimental and predictive pK(i) values and show a high degr... aid6666.table aid6666.tbin
6667 37 Title: Optimization of the pharmacophore model for 5-HT7R antagonism. Design and synthesis of new naphtholactam and naphthosultam derivatives. Abstract: We present in this study an optimization of a preliminary pharmacophore model for 5-HT(7)R antagonism, with the incorporation of recently reported ligands and using an efficient procedure with the CATALYST program. The model consists of five features: a positive ionizable atom (PI), a H-bonding acceptor group (HBA), and three hydrophobic regions... aid6667.table aid6667.tbin
6668 3 Title: Optimization of the pharmacophore model for 5-HT7R antagonism. Design and synthesis of new naphtholactam and naphthosultam derivatives. Abstract: We present in this study an optimization of a preliminary pharmacophore model for 5-HT(7)R antagonism, with the incorporation of recently reported ligands and using an efficient procedure with the CATALYST program. The model consists of five features: a positive ionizable atom (PI), a H-bonding acceptor group (HBA), and three hydrophobic regions... aid6668.table aid6668.tbin
6669 15 Title: First pharmacophoric hypothesis for 5-HT7 antagonism. Abstract: In order to make the first contribution to the elucidation of essential structural features for 5-HT7 antagonism, a set of thirty 5-HT7 antagonists were selected from the literature. A pharmacophore model was built using Molecular Modeling studies with Catalyst program. The information contained in this model was validated with new synthesized compounds. aid6669.table aid6669.tbin
6670 12 Title: First pharmacophoric hypothesis for 5-HT7 antagonism. Abstract: In order to make the first contribution to the elucidation of essential structural features for 5-HT7 antagonism, a set of thirty 5-HT7 antagonists were selected from the literature. A pharmacophore model was built using Molecular Modeling studies with Catalyst program. The information contained in this model was validated with new synthesized compounds. aid6670.table aid6670.tbin
6671 10 Title: Characterization of the 5-HT(7) receptor. Determination of the pharmacophore for 5-HT(7) receptor agonism and CoMFA-based modeling of the agonist binding site. Abstract: On the basis of a set of 20 diverse 5-HT(7) receptor agonists, the pharmacophore for 5-HT(7) receptor agonism was determined. Additionally two CoMFA models were developed, based on different alignments of the agonists. Both models show good correlations between experimental and predictive pK(i) values and show a high degr... aid6671.table aid6671.tbin
6672 9 Title: Characterization of the 5-HT(7) receptor. Determination of the pharmacophore for 5-HT(7) receptor agonism and CoMFA-based modeling of the agonist binding site. Abstract: On the basis of a set of 20 diverse 5-HT(7) receptor agonists, the pharmacophore for 5-HT(7) receptor agonism was determined. Additionally two CoMFA models were developed, based on different alignments of the agonists. Both models show good correlations between experimental and predictive pK(i) values and show a high degr... aid6672.table aid6672.tbin
6673 1 Title: Characterization of the 5-HT(7) receptor. Determination of the pharmacophore for 5-HT(7) receptor agonism and CoMFA-based modeling of the agonist binding site. Abstract: On the basis of a set of 20 diverse 5-HT(7) receptor agonists, the pharmacophore for 5-HT(7) receptor agonism was determined. Additionally two CoMFA models were developed, based on different alignments of the agonists. Both models show good correlations between experimental and predictive pK(i) values and show a high degr... aid6673.table aid6673.tbin
6674 2 Title: Combinatorial synthesis of 3-(amidoalkyl) and 3-(aminoalkyl)-2-arylindole derivatives: discovery of potent ligands for a variety of G-protein coupled receptors. Abstract: Preparation and screening of mixture libraries based on a 2-arylindole scaffold resulted in the discovery of potent ligands for a variety of G-protein coupled receptors. aid6674.table aid6674.tbin
6675 1 Title: First tricyclic oximino derivatives as 5-HT3 ligands. Abstract: The design and synthesis of a new type of 5-HT3 ligand with subnanomolar affinity are described. The O-dialkylaminoethyloximinothienopyrrolizine structure was deduced from molecular modeling studies by replacement of an amidine moiety by an oximino one. aid6675.table aid6675.tbin
6676 1 Title: Design, synthesis and biological activity of novel dimethyl-[2-[6-substituted-indol-1-yl]-ethyl]-amine as potent, selective, and orally-bioavailable 5-HT(1D) agonists. Abstract: A novel series of highly potent human 5-HT(1D) agonists, dimethyl-[2-[6-substituted-indol-1-yl]-ethyl]-amine, was synthesized. Structure-activity relationship (SAR) investigation revealed 4-[1-(2-dimethylamino-ethyl)-1H-indol-6-yl]-tetrahydro-thiopyran-4-ol, 11b (ALX-2732), as a potent (K(i)=2.4 nM) agonist at the... aid6676.table aid6676.tbin
6677 26 Title: Higher-end serotonin receptors: 5-HT(5), 5-HT(6), and 5-HT(7). aid6677.table aid6677.tbin
6678 9 Title: Higher-end serotonin receptors: 5-HT(5), 5-HT(6), and 5-HT(7). aid6678.table aid6678.tbin
6679 1 Title: N-phenylphenylglycines as novel corticotropin releasing factor receptor antagonists. Abstract: Screening of a computationally designed synthetic library led to the discovery of the N-phenylphenylglycines (NPPGs) as a novel class of human corticotropin releasing factor (h-CRF(1)) antagonists. Several NPPGs with greater potency than the original hit 1 were rapidly identified, and resolution of the racemate demonstrated that only the R-enantiomer displays activity. This structural class repr... aid6679.table aid6679.tbin
6680 3 Title: Conformationally restricted indolopiperidine derivatives as potent CCR2B receptor antagonists. Abstract: The preparation and biological evaluation of a series of indolopiperidine CCR2B receptor antagonists possessing a conformationally restricted C-5 linker chain in combination with a restricted piperidine ring are described. Compared to the parent compound 1, analogue 8 shows a dramatic improvement in selectivity against a range of 5-HT and dopaminergic receptors. aid6680.table aid6680.tbin
6681 1 Title: Higher-end serotonin receptors: 5-HT(5), 5-HT(6), and 5-HT(7). aid6681.table aid6681.tbin
6682 1 Title: Conformationally restricted indolopiperidine derivatives as potent CCR2B receptor antagonists. Abstract: The preparation and biological evaluation of a series of indolopiperidine CCR2B receptor antagonists possessing a conformationally restricted C-5 linker chain in combination with a restricted piperidine ring are described. Compared to the parent compound 1, analogue 8 shows a dramatic improvement in selectivity against a range of 5-HT and dopaminergic receptors. aid6682.table aid6682.tbin
6683 1 Title: Conformationally restricted indolopiperidine derivatives as potent CCR2B receptor antagonists. Abstract: The preparation and biological evaluation of a series of indolopiperidine CCR2B receptor antagonists possessing a conformationally restricted C-5 linker chain in combination with a restricted piperidine ring are described. Compared to the parent compound 1, analogue 8 shows a dramatic improvement in selectivity against a range of 5-HT and dopaminergic receptors. aid6683.table aid6683.tbin
6684 1 Title: Design and synthesis of novel 2,3-dihydro-1H-isoindoles with high affinity and selectivity for the dopamine D3 receptor. Abstract: Starting from the tetrahydroisoquinoline SB-277011 1, a novel series of 5-substituted-2,3-dihydro-1H-isoindoles has been designed. Subsequent optimisation resulted in identification of 19, which has high affinity for the dopamine D3 receptor (pKi 8.3) and &gt; or = 100-fold selectivity over other aminergic receptors. In rat studies 19 was brain penetrant with ... aid6684.table aid6684.tbin
6685 11 Title: Optimization of the pharmacophore model for 5-HT7R antagonism. Design and synthesis of new naphtholactam and naphthosultam derivatives. Abstract: We present in this study an optimization of a preliminary pharmacophore model for 5-HT(7)R antagonism, with the incorporation of recently reported ligands and using an efficient procedure with the CATALYST program. The model consists of five features: a positive ionizable atom (PI), a H-bonding acceptor group (HBA), and three hydrophobic regions... aid6685.table aid6685.tbin
6686 1 Title: New benzo[h][1,6]naphthyridine and azepino[3,2-c]quinoline derivatives as selective antagonists of 5-HT4 receptors: binding profile and pharmacological characterization. Abstract: A series of benzo[h][1,6]naphthyridine and azepino[3,2-c]quinoline derivatives were prepared and evaluated to determine the necessary requirements for high affinity on the 5-HT(4) receptors and high selectivity versus other receptors. The compounds were synthesized by substituting the chlorine atom of benzonapht... aid6686.table aid6686.tbin
6687 1 Title: New benzo[h][1,6]naphthyridine and azepino[3,2-c]quinoline derivatives as selective antagonists of 5-HT4 receptors: binding profile and pharmacological characterization. Abstract: A series of benzo[h][1,6]naphthyridine and azepino[3,2-c]quinoline derivatives were prepared and evaluated to determine the necessary requirements for high affinity on the 5-HT(4) receptors and high selectivity versus other receptors. The compounds were synthesized by substituting the chlorine atom of benzonapht... aid6687.table aid6687.tbin
6688 1 Title: Lysergamides of isomeric 2,4-dimethylazetidines map the binding orientation of the diethylamide moiety in the potent hallucinogenic agent N,N-diethyllysergamide (LSD). Abstract: Lysergic acid amides were prepared from (R,R)-(-)-, (S,S)-(+)-, and cis-2,4-dimethyl azetidine. The dimethylazetidine moiety is considered here to be a rigid analogue of diethylamine, and thus, the target compounds are all conformationally constrained analogues of the potent hallucinogenic agent, N,N-diethyllyserg... aid6688.table aid6688.tbin
6689 3 Title: Lysergamides of isomeric 2,4-dimethylazetidines map the binding orientation of the diethylamide moiety in the potent hallucinogenic agent N,N-diethyllysergamide (LSD). Abstract: Lysergic acid amides were prepared from (R,R)-(-)-, (S,S)-(+)-, and cis-2,4-dimethyl azetidine. The dimethylazetidine moiety is considered here to be a rigid analogue of diethylamine, and thus, the target compounds are all conformationally constrained analogues of the potent hallucinogenic agent, N,N-diethyllyserg... aid6689.table aid6689.tbin
6690 1 Title: Higher-end serotonin receptors: 5-HT(5), 5-HT(6), and 5-HT(7). aid6690.table aid6690.tbin
6691 1 Title: Homoazanicotine: a structure-affinity study for nicotinic acetylcholine (nACh) receptor binding. Abstract: We have recently identified 3-[(1-methyl)-4,5-dihydro-1H-imidazol-2-yl)methyl]pyridine (homoazanicotine, 8) as a novel nicotinic acetylcholinergic (nACh) receptor ligand. In the present investigation, after we determined that 8 binds selectively at nicotinic (K(i) = 7.8 nM) vs muscarinic (K(i) &gt; 10,000 nM) acetylcholinergic receptors, we examined its structure-affinity relationshi... aid6691.table aid6691.tbin
6692 1 Title: Synthesis and structure-affinity relationships of 1-[omega-(4-aryl-1-piperazinyl)alkyl]-1-aryl ketones as 5-HT(7) receptor ligands. Abstract: Structural requirements for 5-HT(7) receptor affinity and selectivity over that for the 5-HT(1A) receptor were studied on a series of 1-[omega-(4-aryl-1-piperazinyl)alkyl]-1-aryl ketones. The presence of a hydroxy or methoxy substituent on aryl ketone moiety, alkyl chain length, and the nature of N-1-piperazine substituent were explored. 6-[4-(3-Ben... aid6692.table aid6692.tbin
6693 2 Title: Substituted (pyridylmethoxy)naphthalenes as potent and orally active 5-lipoxygenase inhibitors; synthesis, biological profile, and pharmacokinetics of L-739,010. Abstract: Dioxabicyclooctanyl naphthalenenitriles have been reported as a class of potent and nonredox 5-lipoxygenase (5-LO) inhibitors. These bicyclo derivatives were shown to be metabolically more stable than their tetrahydropyranyl counterparts but were not well orally absorbed. Replacement of the phenyl ring in the naphthalen... aid6693.table aid6693.tbin
6694 10 Title: Substituted (pyridylmethoxy)naphthalenes as potent and orally active 5-lipoxygenase inhibitors; synthesis, biological profile, and pharmacokinetics of L-739,010. Abstract: Dioxabicyclooctanyl naphthalenenitriles have been reported as a class of potent and nonredox 5-lipoxygenase (5-LO) inhibitors. These bicyclo derivatives were shown to be metabolically more stable than their tetrahydropyranyl counterparts but were not well orally absorbed. Replacement of the phenyl ring in the naphthalen... aid6694.table aid6694.tbin
6695 1 In vitro inhibition of human recombinant 5-lipoxygenase enzyme aid6695.table aid6695.tbin
6696 1 In vitro inhibition of human recombinant lipoxygenase enzyme aid6696.table aid6696.tbin
6697 1 In vitro inhibition of human recombinant lipoxygenase enzyme; No inhibition aid6697.table aid6697.tbin
6698 18 Title: (Methoxyalkyl)thiazoles: a new series of potent, selective, and orally active 5-lipoxygenase inhibitors displaying high enantioselectivity. Abstract: (Methoxyalkyl)thiazoles are novel 5-lipoxygenase (5-LPO) inhibitors that are neither redox agents nor iron chelators. Consideration of a hypothetical model of the enzyme active site led to this series which is exemplified by 1-[3-(naphth-2-ylmethoxy)phenyl]-1-(thiazol-2-yl)propy l methyl ether (2d, ICI211965). 2d inhibits cell-free guinea pi... aid6698.table aid6698.tbin
6699 8 Title: (Methoxyalkyl)thiazoles: a new series of potent, selective, and orally active 5-lipoxygenase inhibitors displaying high enantioselectivity. Abstract: (Methoxyalkyl)thiazoles are novel 5-lipoxygenase (5-LPO) inhibitors that are neither redox agents nor iron chelators. Consideration of a hypothetical model of the enzyme active site led to this series which is exemplified by 1-[3-(naphth-2-ylmethoxy)phenyl]-1-(thiazol-2-yl)propy l methyl ether (2d, ICI211965). 2d inhibits cell-free guinea pi... aid6699.table aid6699.tbin
6700 3 Compound was tested for the inhibition of 5-lipoxygenase of human PMN stimulated by calcium ionophore A-23187 for the formation of 5-HETE aid6700.table aid6700.tbin
6701 3 Compound was tested for the inhibition of 5-lipoxygenase of human PMN stimulated by calcium ionophore A-23187 for the formation of leukotriene B4 (LTB4) aid6701.table aid6701.tbin
6702 37 Title: 5-Lipoxygenase inhibitors: synthesis and structure-activity relationships of a series of 1-aryl-2H,4H-tetrahydro-1,2,4-triazin-3-ones. Abstract: Synthetic routes were developed to access a variety of novel 1-aryl-2H,4H-tetrahydro-1,2,4-triazin-3-one analogs which were evaluated as 5-lipoxygenase (5-LO) inhibitors. The parent structure, 1-phenylperhydro-1,2,4-triazin-3-one (4), was found to be a selective inhibitor of 5-LO in broken cell, intact cell, and human blood assays with IC50 value... aid6702.table aid6702.tbin
6703 3 Title: 5-Lipoxygenase inhibitors: synthesis and structure-activity relationships of a series of 1-aryl-2H,4H-tetrahydro-1,2,4-triazin-3-ones. Abstract: Synthetic routes were developed to access a variety of novel 1-aryl-2H,4H-tetrahydro-1,2,4-triazin-3-one analogs which were evaluated as 5-lipoxygenase (5-LO) inhibitors. The parent structure, 1-phenylperhydro-1,2,4-triazin-3-one (4), was found to be a selective inhibitor of 5-LO in broken cell, intact cell, and human blood assays with IC50 value... aid6703.table aid6703.tbin
6704 3 Title: Acetohydroxamic acids as potent, selective, orally active 5-lipoxygenase inhibitors. aid6704.table aid6704.tbin
6705 2 Title: Methoxytetrahydropyrans. A new series of selective and orally potent 5-lipoxygenase inhibitors. Abstract: Investigation of the SAR of the lead (methoxyalkyl)thiazole 1-[3-(naphth-2-ylmethoxy)phenyl]-1-thiazol-2-ylprop yl methyl ether (1, ICI 211965) led to the methoxytetrahydropyrans, a new series of 5-lipoxygenase (5-LPO) inhibitors exemplified by the parent compound 4-[3-(naphth-2-ylmethoxy)phenyl]-4- methoxy-3,4,5,6-tetrahydro-2H-pyran (4f). In vitro 4f inhibited leukotriene C4 (LTC4) ... aid6705.table aid6705.tbin
6706 41 Title: Methoxytetrahydropyrans. A new series of selective and orally potent 5-lipoxygenase inhibitors. Abstract: Investigation of the SAR of the lead (methoxyalkyl)thiazole 1-[3-(naphth-2-ylmethoxy)phenyl]-1-thiazol-2-ylprop yl methyl ether (1, ICI 211965) led to the methoxytetrahydropyrans, a new series of 5-lipoxygenase (5-LPO) inhibitors exemplified by the parent compound 4-[3-(naphth-2-ylmethoxy)phenyl]-4- methoxy-3,4,5,6-tetrahydro-2H-pyran (4f). In vitro 4f inhibited leukotriene C4 (LTC4) ... aid6706.table aid6706.tbin
6707 10 Title: 5-lipoxygenase inhibitors with histamine H(1) receptor antagonist activity. Abstract: A series of novel compounds with both 5-lipoxygenase (5-LO) inhibitory and histamine H(1) receptor antagonist activity were designed for the treatment of asthma. These dual-function compounds were made by connecting 5-LO and H(1) pharmacophores,N-hydroxyureas and benzhydryl piperazines, respectively. A range of in vitro activities was observed, with the furan analog 10 demonstrating both activities in an... aid6707.table aid6707.tbin
6708 12 Title: 4-[5-Fluoro-3-[4-(2-methyl-1H-imidazol-1-yl)benzyloxy]phenyl]-3,4,5,6- tetrahydro-2H-pyran-4-carboxamide, an orally active inhibitor of 5-lipoxygenase with improved pharmacokinetic and toxicology characteristics. Abstract: Described herein are structure-activity relationships (SARs) of 4-[5-fluoro-3-[4-(2-methyl-1H-imidazol-1-yl)benzyloxy]-phenyl]-4-methoxy-3,4,5,6-tetrahydro-2H-pyran (1, CJ-12,918), an imidazole 5-lipoxygenase (5-LO) inhibitor. When 1 was tested in preclinical studies, c... aid6708.table aid6708.tbin
6709 10 Title: Naphthalenic lignan lactones as selective, nonredox 5-lipoxygenase inhibitors. Synthesis and biological activity of (methoxyalkyl)thiazole and methoxytetrahydropyran hybrids. Abstract: Combinations of structural elements found in (methoxyalkyl)thiazole 1a and methoxytetrahydropyran 2a with a naphthalenic lignan lactone produce the potent 5-lipoxygenase (5-LO) inhibitors 3 and 4. While the nature of link Y-Z has a major effect on the in vitro activity of compounds 1 and 2, inhibitors 3 and... aid6709.table aid6709.tbin
6710 9 Title: Nonsteroidal anti-inflammatory drugs as scaffolds for the design of 5-lipoxygenase inhibitors. Abstract: Representative nonsteroidal anti-inflammatory drug (NSAID) cyclooxygenase inhibitors such as ibuprofen, naproxen, and indomethacin were used as orally bioavailable scaffolds to design selective 5-lipoxygenase (5-LO) inhibitors. Replacement of the NSAID carboxylic acid group with a N-hydroxyurea group provided congeners with selective 5-LO inhibitory activity. aid6710.table aid6710.tbin
6711 1 Title: Nonsteroidal anti-inflammatory drugs as scaffolds for the design of 5-lipoxygenase inhibitors. Abstract: Representative nonsteroidal anti-inflammatory drug (NSAID) cyclooxygenase inhibitors such as ibuprofen, naproxen, and indomethacin were used as orally bioavailable scaffolds to design selective 5-lipoxygenase (5-LO) inhibitors. Replacement of the NSAID carboxylic acid group with a N-hydroxyurea group provided congeners with selective 5-LO inhibitory activity. aid6711.table aid6711.tbin
6712 1 Title: Synthesis and activity of a new methoxytetrahydropyran derivative as dual cyclooxygenase-2/5-lipoxygenase inhibitor. Abstract: Dual COX-2/5-LO inhibitors are described as potential new therapeutic agents for inflammatory diseases. A surprisingly potent effect of a 5-LO pharmacophoric group on the COX-2 inhibition is presented as well as pharmacological in vitro and in vivo results. aid6712.table aid6712.tbin
6713 2 Inhibition of 5-lipoxygenase was evaluated in human polymorphonuclear leukocytes stimulated by calcium ionophore A-23187 for formation of 5-HETE aid6713.table aid6713.tbin
6714 3 Inhibition of 5-lipoxygenase was evaluated in human polymorphonuclear leukocytes stimulated by calcium ionophore A-23187 for formation of 5-HETE; NA means Not active aid6714.table aid6714.tbin
6715 2 Inhibition of 5-lipoxygenase was evaluated in human polymorphonuclear leukocytes stimulated by calcium ionophore A-23187 for formation of LTB4 aid6715.table aid6715.tbin
6716 3 Inhibition of 5-lipoxygenase was evaluated in human polymorphonuclear leukocytes stimulated by calcium ionophore A-23187 for formation of LTB4; NA means Not active aid6716.table aid6716.tbin
6717 1 Title: (6,7-Diaryldihydropyrrolizin-5-yl)acetic acids, a novel class of potent dual inhibitors of both cyclooxygenase and 5-lipoxygenase. Abstract: A novel class of nonantioxidant dual inhibitors of both CO and 5-LO is described. The balance between the activity against CO and 5-LO can be shifted by modifying the substitution pattern of the phenyl moiety at the 6-position of the pyrrolizine ring. Structure-activity relationships are discussed. Compound 3e with a 4-Cl substituent (IC50 = 0.21 mic... aid6717.table aid6717.tbin
6718 65 Title: Effect of structure on potency and selectivity in 2,6-disubstituted 4-(2-arylethenyl)phenol lipoxygenase inhibitors. Abstract: A series of 2,6-disubstituted 4-(2-arylethenyl)phenols with potent human neutrophil 5-lipoxygenase (5-LO) inhibiting activity (IC50S in the 10(-7) M range) and weaker human platelet cyclooxygenase (CO) inhibiting activity (IC50S in the 10(-6) M range) is described. This series evolved from the chemical modification of an antiinflammatory dual CO/5-LO inhibitor, 2,... aid6718.table aid6718.tbin
6719 1 Title: Design, synthesis, and 5-lipoxygenase-inhibiting properties of 1-thio-substituted butadienes. Abstract: The synthesis of novel 1-thio-substituted butadienes, designed as mechanism-based 5-lipoxygenase inhibitors, is described. The structure of these compounds closely resembles a proposed high-energy intermediate during the lipoxygenation of arachidonic acid. They demonstrate 5-lipoxygenase inhibition in vitro and in vivo. The most potent compound is 15a with an IC50 of 1.8 microM in vitro... aid6719.table aid6719.tbin
6720 21 Title: Conformational analysis of 5-lipoxygenase inhibitors: role of the substituents in chiral recognition and on the active conformations of the (methoxyalkyl)thiazole and methoxytetrahydropyran series. Abstract: The investigation of the SAR of 5-lipoxygenase (5-LO) inhibition of a series of racemic (methoxyalkyl)thiazoles, exemplified by compound 7 (ZM-211965), has led to other active, racemic derivatives in which the thiazole moiety has been replaced by an ester or an ether. Furthermore, the... aid6720.table aid6720.tbin
6721 5 Title: Synthesis and anti-inflammatory activity of chalcone derivatives. Abstract: Chalcones and their derivatives were synthesized and evaluated for their anti-inflammatory activity. In vitro, chalcones 2, 4, 8, 10 and 13 inhibited degranulation and 5-lipoxygenase in human neutrophils, whereas 11 behaved as scavenger of superoxide. Only four compounds (4-7) inhibited cyclo-oxygenase-2 activity. The majority of these samples showed anti-inflammatory effects in the mouse air pouch model. aid6721.table aid6721.tbin
6722 1 Title: Synthesis and anti-inflammatory activity of chalcone derivatives. Abstract: Chalcones and their derivatives were synthesized and evaluated for their anti-inflammatory activity. In vitro, chalcones 2, 4, 8, 10 and 13 inhibited degranulation and 5-lipoxygenase in human neutrophils, whereas 11 behaved as scavenger of superoxide. Only four compounds (4-7) inhibited cyclo-oxygenase-2 activity. The majority of these samples showed anti-inflammatory effects in the mouse air pouch model. aid6722.table aid6722.tbin
6723 24 Title: Differential effects of a series of hydroxamic acid derivatives on 5-lipoxygenase and cyclooxygenase from neutrophils and 12-lipoxygenase from platelets and their in vivo effects on inflammation and anaphylaxis. Abstract: The synthesis of a series of novel substituted hydroxamates has been described along with their profile of inhibitory activity against 5-lipoxygenase, 12-lipoxygenase, and cyclooxygenase enzymes. The structure--activity relationship suggests that future molecules could b... aid6723.table aid6723.tbin
6724 1 Title: Differential effects of a series of hydroxamic acid derivatives on 5-lipoxygenase and cyclooxygenase from neutrophils and 12-lipoxygenase from platelets and their in vivo effects on inflammation and anaphylaxis. Abstract: The synthesis of a series of novel substituted hydroxamates has been described along with their profile of inhibitory activity against 5-lipoxygenase, 12-lipoxygenase, and cyclooxygenase enzymes. The structure--activity relationship suggests that future molecules could b... aid6724.table aid6724.tbin
6725 52 Title: Dioxabicyclooctanyl naphthalenenitriles as nonredox 5-lipoxygenase inhibitors: structure-activity relationship study directed toward the improvement of metabolic stability. Abstract: Naphthalenic lignan lactone 3a (L-702,539), a potent and selective 5-lipoxygenase (5-LO) inhibitor, is extensively metabolized at two different sites: the tetrahydropyran and the lactone rings. Early knowledge of the metabolic pathways triggered and directed a structure-activity relationship study aimed towar... aid6725.table aid6725.tbin
6726 1 Title: Thiopyrano[2,3,4-cd]indoles as 5-lipoxygenase inhibitors: synthesis, biological profile, and resolution of 2-[2-[1-(4-chlorobenzyl)-4-methyl-6-[(5-phenylpyridin-2-yl)methoxy]-4,5 -dihydro-1H-thiopyrano[2,3,4-cd]indol-2-yl]ethoxy]butanoic acid. Abstract: Leukotriene biosynthesis inhibitors have potential as new therapies for asthma and inflammatory diseases. The recently disclosed thiopyrano[2,3,4-cd]indole class of 5-lipoxygenase (5-LO) inhibitors has been investigated with particular emp... aid6726.table aid6726.tbin
6727 1 Title: Thiopyrano[2,3,4-cd]indoles as 5-lipoxygenase inhibitors: synthesis, biological profile, and resolution of 2-[2-[1-(4-chlorobenzyl)-4-methyl-6-[(5-phenylpyridin-2-yl)methoxy]-4,5 -dihydro-1H-thiopyrano[2,3,4-cd]indol-2-yl]ethoxy]butanoic acid. Abstract: Leukotriene biosynthesis inhibitors have potential as new therapies for asthma and inflammatory diseases. The recently disclosed thiopyrano[2,3,4-cd]indole class of 5-lipoxygenase (5-LO) inhibitors has been investigated with particular emp... aid6727.table aid6727.tbin
6728 1 Title: Thiopyrano[2,3,4-cd]indoles as 5-lipoxygenase inhibitors: synthesis, biological profile, and resolution of 2-[2-[1-(4-chlorobenzyl)-4-methyl-6-[(5-phenylpyridin-2-yl)methoxy]-4,5 -dihydro-1H-thiopyrano[2,3,4-cd]indol-2-yl]ethoxy]butanoic acid. Abstract: Leukotriene biosynthesis inhibitors have potential as new therapies for asthma and inflammatory diseases. The recently disclosed thiopyrano[2,3,4-cd]indole class of 5-lipoxygenase (5-LO) inhibitors has been investigated with particular emp... aid6728.table aid6728.tbin
6729 1 Title: Substituted thiopyrano[2,3,4-c,d]indoles as potent, selective, and orally active inhibitors of 5-lipoxygenase. Synthesis and biological evaluation of L-691,816. Abstract: Thiopyrano[2,3,4-c,d]indoles are a new class of 5-lipoxygenase (5-LO) inhibitors. SAR studies have demonstrated that the thiopyran ring, the 5-phenylpyridine substituent, and an acidic functional group on a four-carbon C-2 side chain are all required for optimal inhibitor potency. In contrast, the indolic nitrogen may be... aid6729.table aid6729.tbin
6730 1 Title: Synthesis and activity of a new methoxytetrahydropyran derivative as dual cyclooxygenase-2/5-lipoxygenase inhibitor. Abstract: Dual COX-2/5-LO inhibitors are described as potential new therapeutic agents for inflammatory diseases. A surprisingly potent effect of a 5-LO pharmacophoric group on the COX-2 inhibition is presented as well as pharmacological in vitro and in vivo results. aid6730.table aid6730.tbin
6731 21 Title: Thiopyranol[2,3,4-c,d]indoles as inhibitors of 5-lipoxygenase, 5-lipoxygenase-activating protein, and leukotriene C4 synthase. Abstract: The attachment of an arylacetic or benzoic acid moiety to the thiopyrano[2,3,4-c,d]indole nucleus results in compounds which are highly potent and selective 5-lipoxygenase (5-LO) inhibitors. These compounds are structurally simpler than previous compounds of similar potency in that they contain a single chiral center. From the data presented, 2-[[1-(3-ch... aid6731.table aid6731.tbin
6732 8 Title: Synthesis and activity of a new methoxytetrahydropyran derivative as dual cyclooxygenase-2/5-lipoxygenase inhibitor. Abstract: Dual COX-2/5-LO inhibitors are described as potential new therapeutic agents for inflammatory diseases. A surprisingly potent effect of a 5-LO pharmacophoric group on the COX-2 inhibition is presented as well as pharmacological in vitro and in vivo results. aid6732.table aid6732.tbin
6733 3 Title: 5-lipoxygenase: properties, pharmacology, and the quinolinyl(bridged)aryl class of inhibitors. Abstract: In conclusion, an effective modulator of the AA cascade for the treatment of asthma and other inflammatory diseases may require 5-LO inhibitory activity as well as LTD4 antagonism in order to limit the effects of LTB4, LTD4, and 5-HPETE. The unknown role of LTC4 with respect to bronchoconstriction and mucus production could mask the efficacy of a pure LTD4 antagonist in man, whereas th... aid6733.table aid6733.tbin
6734 1 Title: 5-lipoxygenase: properties, pharmacology, and the quinolinyl(bridged)aryl class of inhibitors. Abstract: In conclusion, an effective modulator of the AA cascade for the treatment of asthma and other inflammatory diseases may require 5-LO inhibitory activity as well as LTD4 antagonism in order to limit the effects of LTB4, LTD4, and 5-HPETE. The unknown role of LTC4 with respect to bronchoconstriction and mucus production could mask the efficacy of a pure LTD4 antagonist in man, whereas th... aid6734.table aid6734.tbin
6735 8 Title: New cyclooxygenase-2/5-lipoxygenase inhibitors. 1. 7-tert-buty1-2,3-dihydro-3,3-dimethylbenzofuran derivatives as gastrointestinal safe antiinflammatory and analgesic agents: discovery and variation of the 5-keto substituent. Abstract: A series of 5-keto-substituted 7-tert-buty1-2,3-dihydro-3,3- dimethylbenzofurans (DHDMBFs) were prepared and evaluated as potential nonsteroidal antiinflammatory and analgesic agents. Interest in this class of compounds arose when a DHDMBF was found to be a... aid6735.table aid6735.tbin
6736 7 Title: New cyclooxygenase-2/5-lipoxygenase inhibitors. 1. 7-tert-buty1-2,3-dihydro-3,3-dimethylbenzofuran derivatives as gastrointestinal safe antiinflammatory and analgesic agents: discovery and variation of the 5-keto substituent. Abstract: A series of 5-keto-substituted 7-tert-buty1-2,3-dihydro-3,3- dimethylbenzofurans (DHDMBFs) were prepared and evaluated as potential nonsteroidal antiinflammatory and analgesic agents. Interest in this class of compounds arose when a DHDMBF was found to be a... aid6736.table aid6736.tbin
6737 10 Title: 4-hydroxythiazole inhibitors of 5-lipoxygenase. Abstract: 4-Hydroxythiazoles have been identified as potent inhibitors of 5-lipoxygenase in vitro exhibiting IC50's of less than 1 microM. An investigation of structure-activity relationships showed that the most potent inhibitors of this series are the 5-phenyl derivatives. The corresponding thiazolidin-4-one analogues were found to be relatively inactive. The 4-hydroxythiazoles were active inhibitors against 5-lipoxygenase in both intact r... aid6737.table aid6737.tbin
6738 4 The compound was tested in vitro for inhibition against 5-lipoxygenase in intact human neutrophils aid6738.table aid6738.tbin
6739 2 Title: (R)-(+)-N-[3-[5-[(4-fluorophenyl)methyl]-2-thienyl]-1-methyl- 2-propynyl]-N-hydroxyurea (ABT-761), a second-generation 5-lipoxygenase inhibitor. Abstract: Structure-activity optimization of inhibitory potency and duration of action of N-hydroxyurea containing 5-lipoxygenase inhibitors was conducted. The lipophilic heteroaryl template and the link group connecting the template to the N-hydroxyurea pharmacophore were modified. Inhibition of 5-lipoxygenase was evaluated in vitro in a human w... aid6739.table aid6739.tbin
6740 30 Title: Substituted 1,3-dihydro-2H-pyrrolo[2,3-b]pyridin-2-ones as potential antiinflammatory agents. Abstract: A series of analogues based on the 1,3-dihydro-2H-pyrrolo[2,3-b]pyridin-2-one ring system have been synthesized and shown to possess oral antiinflammatory activity in both the reverse passive Arthus reaction (RPAR) pleural cavity assay in rats and in the adjuvant-induced arthritic rat model (AAR). Several members of this series additionally exhibit an inhibitory effect on the in vivo pr... aid6740.table aid6740.tbin
6741 1 Title: Differential effects of a series of hydroxamic acid derivatives on 5-lipoxygenase and cyclooxygenase from neutrophils and 12-lipoxygenase from platelets and their in vivo effects on inflammation and anaphylaxis. Abstract: The synthesis of a series of novel substituted hydroxamates has been described along with their profile of inhibitory activity against 5-lipoxygenase, 12-lipoxygenase, and cyclooxygenase enzymes. The structure--activity relationship suggests that future molecules could b... aid6741.table aid6741.tbin
6742 4 Inhibition of 5-lipoxygenase was evaluated in human polymorphonuclear leukocytes stimulated by calcium ionophore A-23187 for formation of 5-HETE at 10 uM aid6742.table aid6742.tbin
6743 1 Inhibition of 5-lipoxygenase was evaluated in human polymorphonuclear leukocytes stimulated by calcium ionophore A-23187 for formation of 5-HETE at 10 uM; NA means Inactive aid6743.table aid6743.tbin
6744 4 Inhibition of 5-lipoxygenase was evaluated in human polymorphonuclear leukocytes stimulated by calcium ionophore A-23187 for formation of LTB4 at 10 uM aid6744.table aid6744.tbin
6745 1 Inhibition of 5-lipoxygenase was evaluated in human polymorphonuclear leukocytes stimulated by calcium ionophore A-23187 for formation of LTB4 at 10 uM; NA means Inactive aid6745.table aid6745.tbin
6746 12 Title: Antiinflammatory 2,6-di-tert-butyl-4-(2-arylethenyl)phenols. Abstract: A series of 2,6-di-tert-butyl-4-(2-arylethenyl)phenols was prepared and examined for their ability to inhibit cyclooxygenase and 5-lipoxygenase in vitro and developing adjuvant arthritis in vivo in the rat. Structure-activity relationships are discussed. Among the best compounds is (E)-2,6-di-tert-butyl-4-[2-(3-pyridinyl)ethenyl]phenol (7d). It has an IC50 of 0.67 microM for cyclooxygenase and 2.7 microM for 5-lipoxyge... aid6746.table aid6746.tbin
6747 14 Title: Antiinflammatory 2,6-di-tert-butyl-4-(2-arylethenyl)phenols. Abstract: A series of 2,6-di-tert-butyl-4-(2-arylethenyl)phenols was prepared and examined for their ability to inhibit cyclooxygenase and 5-lipoxygenase in vitro and developing adjuvant arthritis in vivo in the rat. Structure-activity relationships are discussed. Among the best compounds is (E)-2,6-di-tert-butyl-4-[2-(3-pyridinyl)ethenyl]phenol (7d). It has an IC50 of 0.67 microM for cyclooxygenase and 2.7 microM for 5-lipoxyge... aid6747.table aid6747.tbin
6748 3 Title: Antiinflammatory 2,6-di-tert-butyl-4-(2-arylethenyl)phenols. Abstract: A series of 2,6-di-tert-butyl-4-(2-arylethenyl)phenols was prepared and examined for their ability to inhibit cyclooxygenase and 5-lipoxygenase in vitro and developing adjuvant arthritis in vivo in the rat. Structure-activity relationships are discussed. Among the best compounds is (E)-2,6-di-tert-butyl-4-[2-(3-pyridinyl)ethenyl]phenol (7d). It has an IC50 of 0.67 microM for cyclooxygenase and 2.7 microM for 5-lipoxyge... aid6748.table aid6748.tbin
6749 9 Title: Synthesis and anti-inflammatory activity of chalcone derivatives. Abstract: Chalcones and their derivatives were synthesized and evaluated for their anti-inflammatory activity. In vitro, chalcones 2, 4, 8, 10 and 13 inhibited degranulation and 5-lipoxygenase in human neutrophils, whereas 11 behaved as scavenger of superoxide. Only four compounds (4-7) inhibited cyclo-oxygenase-2 activity. The majority of these samples showed anti-inflammatory effects in the mouse air pouch model. aid6749.table aid6749.tbin
6750 1 Title: Differential effects of a series of hydroxamic acid derivatives on 5-lipoxygenase and cyclooxygenase from neutrophils and 12-lipoxygenase from platelets and their in vivo effects on inflammation and anaphylaxis. Abstract: The synthesis of a series of novel substituted hydroxamates has been described along with their profile of inhibitory activity against 5-lipoxygenase, 12-lipoxygenase, and cyclooxygenase enzymes. The structure--activity relationship suggests that future molecules could b... aid6750.table aid6750.tbin
6751 2 Title: Differential effects of a series of hydroxamic acid derivatives on 5-lipoxygenase and cyclooxygenase from neutrophils and 12-lipoxygenase from platelets and their in vivo effects on inflammation and anaphylaxis. Abstract: The synthesis of a series of novel substituted hydroxamates has been described along with their profile of inhibitory activity against 5-lipoxygenase, 12-lipoxygenase, and cyclooxygenase enzymes. The structure--activity relationship suggests that future molecules could b... aid6751.table aid6751.tbin
6752 2 Tested for the inhibition of 5-lipoxygenase from human polymorphonuclear leukocytes(PMN) at 10 uM concentration of the compound; IA= Inactive aid6752.table aid6752.tbin
6753 3 Tested for the inhibition of 5-lipoxygenase from human polymorphonuclear leukocytes(PMN) at 10 uM concentration of the compound; value ranges from 70-90 aid6753.table aid6753.tbin
6754 16 Title: Effect of structure on potency and selectivity in 2,6-disubstituted 4-(2-arylethenyl)phenol lipoxygenase inhibitors. Abstract: A series of 2,6-disubstituted 4-(2-arylethenyl)phenols with potent human neutrophil 5-lipoxygenase (5-LO) inhibiting activity (IC50S in the 10(-7) M range) and weaker human platelet cyclooxygenase (CO) inhibiting activity (IC50S in the 10(-6) M range) is described. This series evolved from the chemical modification of an antiinflammatory dual CO/5-LO inhibitor, 2,... aid6754.table aid6754.tbin
6755 20 Title: Effect of structure on potency and selectivity in 2,6-disubstituted 4-(2-arylethenyl)phenol lipoxygenase inhibitors. Abstract: A series of 2,6-disubstituted 4-(2-arylethenyl)phenols with potent human neutrophil 5-lipoxygenase (5-LO) inhibiting activity (IC50S in the 10(-7) M range) and weaker human platelet cyclooxygenase (CO) inhibiting activity (IC50S in the 10(-6) M range) is described. This series evolved from the chemical modification of an antiinflammatory dual CO/5-LO inhibitor, 2,... aid6755.table aid6755.tbin
6756 1 Title: Effect of structure on potency and selectivity in 2,6-disubstituted 4-(2-arylethenyl)phenol lipoxygenase inhibitors. Abstract: A series of 2,6-disubstituted 4-(2-arylethenyl)phenols with potent human neutrophil 5-lipoxygenase (5-LO) inhibiting activity (IC50S in the 10(-7) M range) and weaker human platelet cyclooxygenase (CO) inhibiting activity (IC50S in the 10(-6) M range) is described. This series evolved from the chemical modification of an antiinflammatory dual CO/5-LO inhibitor, 2,... aid6756.table aid6756.tbin
6757 13 Title: Effect of structure on potency and selectivity in 2,6-disubstituted 4-(2-arylethenyl)phenol lipoxygenase inhibitors. Abstract: A series of 2,6-disubstituted 4-(2-arylethenyl)phenols with potent human neutrophil 5-lipoxygenase (5-LO) inhibiting activity (IC50S in the 10(-7) M range) and weaker human platelet cyclooxygenase (CO) inhibiting activity (IC50S in the 10(-6) M range) is described. This series evolved from the chemical modification of an antiinflammatory dual CO/5-LO inhibitor, 2,... aid6757.table aid6757.tbin
6758 22 Title: Effect of structure on potency and selectivity in 2,6-disubstituted 4-(2-arylethenyl)phenol lipoxygenase inhibitors. Abstract: A series of 2,6-disubstituted 4-(2-arylethenyl)phenols with potent human neutrophil 5-lipoxygenase (5-LO) inhibiting activity (IC50S in the 10(-7) M range) and weaker human platelet cyclooxygenase (CO) inhibiting activity (IC50S in the 10(-6) M range) is described. This series evolved from the chemical modification of an antiinflammatory dual CO/5-LO inhibitor, 2,... aid6758.table aid6758.tbin
6759 1 Title: Differential effects of a series of hydroxamic acid derivatives on 5-lipoxygenase and cyclooxygenase from neutrophils and 12-lipoxygenase from platelets and their in vivo effects on inflammation and anaphylaxis. Abstract: The synthesis of a series of novel substituted hydroxamates has been described along with their profile of inhibitory activity against 5-lipoxygenase, 12-lipoxygenase, and cyclooxygenase enzymes. The structure--activity relationship suggests that future molecules could b... aid6759.table aid6759.tbin
6760 13 Title: New cyclooxygenase-2/5-lipoxygenase inhibitors. 3. 7-tert-butyl-2, 3-dihydro-3,3-dimethylbenzofuran derivatives as gastrointestinal safe antiinflammatory and analgesic agents: variations at the 5 position. Abstract: We report an expansion of the scope of our initial discovery that 5-keto-substituted 7-tert-butyl-2,3-dihydro-3,3-dimethylbenzofurans (DHDMBFs) are antiinflammatory and analgesic agents. Several other functional groups have been introduced at the 5 position: amides, amidines, ... aid6760.table aid6760.tbin
6761 9 Title: (Methoxyalkyl)thiazoles: a new series of potent, selective, and orally active 5-lipoxygenase inhibitors displaying high enantioselectivity. Abstract: (Methoxyalkyl)thiazoles are novel 5-lipoxygenase (5-LPO) inhibitors that are neither redox agents nor iron chelators. Consideration of a hypothetical model of the enzyme active site led to this series which is exemplified by 1-[3-(naphth-2-ylmethoxy)phenyl]-1-(thiazol-2-yl)propy l methyl ether (2d, ICI211965). 2d inhibits cell-free guinea pi... aid6761.table aid6761.tbin
6762 3 Title: (Methoxyalkyl)thiazoles: a new series of potent, selective, and orally active 5-lipoxygenase inhibitors displaying high enantioselectivity. Abstract: (Methoxyalkyl)thiazoles are novel 5-lipoxygenase (5-LPO) inhibitors that are neither redox agents nor iron chelators. Consideration of a hypothetical model of the enzyme active site led to this series which is exemplified by 1-[3-(naphth-2-ylmethoxy)phenyl]-1-(thiazol-2-yl)propy l methyl ether (2d, ICI211965). 2d inhibits cell-free guinea pi... aid6762.table aid6762.tbin
6763 1 Title: Simple aromatic compounds containing propenone moiety show considerable dual COX/5-LOX inhibitory activities. Abstract: For the development of safer anti-inflammatory agents, simple aromatic compounds containing propenone moiety were prepared and evaluated for their dual COX/5-LOX inhibitory activities. Among the 17 prepared compounds, most of the compounds exhibited considerable COX/5-LOX inhibitory activities. Especially compound C(15) showed the most significant dual COX/5-LOX inhibito... aid6763.table aid6763.tbin
6764 17 Title: Simple aromatic compounds containing propenone moiety show considerable dual COX/5-LOX inhibitory activities. Abstract: For the development of safer anti-inflammatory agents, simple aromatic compounds containing propenone moiety were prepared and evaluated for their dual COX/5-LOX inhibitory activities. Among the 17 prepared compounds, most of the compounds exhibited considerable COX/5-LOX inhibitory activities. Especially compound C(15) showed the most significant dual COX/5-LOX inhibito... aid6764.table aid6764.tbin
6765 11 Title: Conformational analysis of 5-lipoxygenase inhibitors: role of the substituents in chiral recognition and on the active conformations of the (methoxyalkyl)thiazole and methoxytetrahydropyran series. Abstract: The investigation of the SAR of 5-lipoxygenase (5-LO) inhibition of a series of racemic (methoxyalkyl)thiazoles, exemplified by compound 7 (ZM-211965), has led to other active, racemic derivatives in which the thiazole moiety has been replaced by an ester or an ether. Furthermore, the... aid6765.table aid6765.tbin
6766 1 Title: 5-lipoxygenase: properties, pharmacology, and the quinolinyl(bridged)aryl class of inhibitors. Abstract: In conclusion, an effective modulator of the AA cascade for the treatment of asthma and other inflammatory diseases may require 5-LO inhibitory activity as well as LTD4 antagonism in order to limit the effects of LTB4, LTD4, and 5-HPETE. The unknown role of LTC4 with respect to bronchoconstriction and mucus production could mask the efficacy of a pure LTD4 antagonist in man, whereas th... aid6766.table aid6766.tbin
6767 8 Title: Syntheses of 5,7,8- and 5,6,7-trioxygenated 3-alkyl-3',4'-dihydroxyflavones and their inhibitory activities against arachidonate 5-lipoxygenase. Abstract: 5,6,7- and 5,7,8-Trioxygenated 3',4'-dihydroxyflavones were derivatized by introducing alkyl groups of various chain lengths at the 3-position of the flavone skeleton. These compounds were tested as inhibitors for arachidonate 5-lipoxygenase purified from porcine leukocytes. Modification of the 3-position with an alkyl group of 6-10 car... aid6767.table aid6767.tbin
6768 1 Title: Synthesis and structure-activity relationships of a novel class of 5-lipoxygenase inhibitors. 2-(Phenylmethyl)-4-hydroxy-3,5-dialkylbenzofurans: the development of L-656,224. Abstract: The synthesis of a series of 2-(phenylmethyl)-4-hydroxy-3,5-dialkylbenzofurans and their inhibitory effects against leukotriene biosynthesis and 5-lipoxygenase activity in vitro are described. Many compounds in this series were found to be potent inhibitors of LTB4 production by human polymorphonuclear leuk... aid6768.table aid6768.tbin
6769 1 Title: Novel indole-2-carboxamide and cycloalkeno[1,2-b]indole derivatives. Structure-activity relationships for high inhibition of human LDL peroxidation. Abstract: Series of indole-2-carboxamide and cycloalkeno[1,2-b]indole derivatives were synthesized and evaluated in order to determine the necessary structural requirements for a high inhibition of human LDL copper-induced peroxidation. Various modulations were systematically performed on the indole and cycloalkeno[1,2-b]indole nuclei as well... aid6769.table aid6769.tbin
6770 11 Title: Synthesis and antiinflammatory activity of certain 5,6,7,8-tetrahydroquinolines and related compounds. Abstract: Modification of some 8-benzylidene-5,6,7,8-tetrahydroquinolines, which have good antiulcer activity, led to three distinct classes of compounds with good in vivo antiinflammatory activity. Initial efforts led to a series of alkenes derived from 5,6,7,8-tetrahydroquinolines substituted at the 8-position. A second approach concentrated on replacing the CH linkage of these 8-benzy... aid6770.table aid6770.tbin
6771 1 Title: Synthesis and antiinflammatory activity of certain 5,6,7,8-tetrahydroquinolines and related compounds. Abstract: Modification of some 8-benzylidene-5,6,7,8-tetrahydroquinolines, which have good antiulcer activity, led to three distinct classes of compounds with good in vivo antiinflammatory activity. Initial efforts led to a series of alkenes derived from 5,6,7,8-tetrahydroquinolines substituted at the 8-position. A second approach concentrated on replacing the CH linkage of these 8-benzy... aid6771.table aid6771.tbin
6772 3 Title: Synthesis and antiinflammatory activity of certain 5,6,7,8-tetrahydroquinolines and related compounds. Abstract: Modification of some 8-benzylidene-5,6,7,8-tetrahydroquinolines, which have good antiulcer activity, led to three distinct classes of compounds with good in vivo antiinflammatory activity. Initial efforts led to a series of alkenes derived from 5,6,7,8-tetrahydroquinolines substituted at the 8-position. A second approach concentrated on replacing the CH linkage of these 8-benzy... aid6772.table aid6772.tbin
6773 4 Title: Synthesis and antiinflammatory activity of certain 5,6,7,8-tetrahydroquinolines and related compounds. Abstract: Modification of some 8-benzylidene-5,6,7,8-tetrahydroquinolines, which have good antiulcer activity, led to three distinct classes of compounds with good in vivo antiinflammatory activity. Initial efforts led to a series of alkenes derived from 5,6,7,8-tetrahydroquinolines substituted at the 8-position. A second approach concentrated on replacing the CH linkage of these 8-benzy... aid6773.table aid6773.tbin
6774 23 Title: Synthesis and antiinflammatory activity of certain 5,6,7,8-tetrahydroquinolines and related compounds. Abstract: Modification of some 8-benzylidene-5,6,7,8-tetrahydroquinolines, which have good antiulcer activity, led to three distinct classes of compounds with good in vivo antiinflammatory activity. Initial efforts led to a series of alkenes derived from 5,6,7,8-tetrahydroquinolines substituted at the 8-position. A second approach concentrated on replacing the CH linkage of these 8-benzy... aid6774.table aid6774.tbin
6775 34 Title: Synthesis and antiinflammatory activity of certain 5,6,7,8-tetrahydroquinolines and related compounds. Abstract: Modification of some 8-benzylidene-5,6,7,8-tetrahydroquinolines, which have good antiulcer activity, led to three distinct classes of compounds with good in vivo antiinflammatory activity. Initial efforts led to a series of alkenes derived from 5,6,7,8-tetrahydroquinolines substituted at the 8-position. A second approach concentrated on replacing the CH linkage of these 8-benzy... aid6775.table aid6775.tbin
6776 3 Title: Synthesis and antiinflammatory activity of certain 5,6,7,8-tetrahydroquinolines and related compounds. Abstract: Modification of some 8-benzylidene-5,6,7,8-tetrahydroquinolines, which have good antiulcer activity, led to three distinct classes of compounds with good in vivo antiinflammatory activity. Initial efforts led to a series of alkenes derived from 5,6,7,8-tetrahydroquinolines substituted at the 8-position. A second approach concentrated on replacing the CH linkage of these 8-benzy... aid6776.table aid6776.tbin
6777 1 Title: 5-lipoxygenase: properties, pharmacology, and the quinolinyl(bridged)aryl class of inhibitors. Abstract: In conclusion, an effective modulator of the AA cascade for the treatment of asthma and other inflammatory diseases may require 5-LO inhibitory activity as well as LTD4 antagonism in order to limit the effects of LTB4, LTD4, and 5-HPETE. The unknown role of LTC4 with respect to bronchoconstriction and mucus production could mask the efficacy of a pure LTD4 antagonist in man, whereas th... aid6777.table aid6777.tbin
6778 1 Title: 5-lipoxygenase: properties, pharmacology, and the quinolinyl(bridged)aryl class of inhibitors. Abstract: In conclusion, an effective modulator of the AA cascade for the treatment of asthma and other inflammatory diseases may require 5-LO inhibitory activity as well as LTD4 antagonism in order to limit the effects of LTB4, LTD4, and 5-HPETE. The unknown role of LTC4 with respect to bronchoconstriction and mucus production could mask the efficacy of a pure LTD4 antagonist in man, whereas th... aid6778.table aid6778.tbin
6779 1 In vitro inhibition of 5-lipoxygenase HETE (5-hydroperoxyeicosatetraenoic acid) in RBL-1 macrophage, a cell-free enzyme assay aid6779.table aid6779.tbin
6780 3 In vitro inhibition of 5-lipoxygenase HETE (5-hydroperoxyeicosatetraenoic acid) in RBL-1 macrophage, a cell-free enzyme assay aid6780.table aid6780.tbin
6781 10 Title: Substituted arylmethyl phenyl ethers. 1. A novel series of 5-lipoxygenase inhibitors and leukotriene antagonists. Abstract: A series of new substituted arylmethyl phenyl ethers has been prepared. These compounds were tested as inhibitors of 5-lipoxygenase (5-LO) in rat neutrophils, in vitro antagonists of leukotriene-induced contraction of guinea pig (GP) lung parenchymal strips, and inhibitors of slow reacting substance of anaphylaxis (SRS-A) mediated bronchospasm in the GP in vivo. Most... aid6781.table aid6781.tbin
6782 4 Title: Substituted arylmethyl phenyl ethers. 1. A novel series of 5-lipoxygenase inhibitors and leukotriene antagonists. Abstract: A series of new substituted arylmethyl phenyl ethers has been prepared. These compounds were tested as inhibitors of 5-lipoxygenase (5-LO) in rat neutrophils, in vitro antagonists of leukotriene-induced contraction of guinea pig (GP) lung parenchymal strips, and inhibitors of slow reacting substance of anaphylaxis (SRS-A) mediated bronchospasm in the GP in vivo. Most... aid6782.table aid6782.tbin
6783 1 Title: Substituted arylmethyl phenyl ethers. 1. A novel series of 5-lipoxygenase inhibitors and leukotriene antagonists. Abstract: A series of new substituted arylmethyl phenyl ethers has been prepared. These compounds were tested as inhibitors of 5-lipoxygenase (5-LO) in rat neutrophils, in vitro antagonists of leukotriene-induced contraction of guinea pig (GP) lung parenchymal strips, and inhibitors of slow reacting substance of anaphylaxis (SRS-A) mediated bronchospasm in the GP in vivo. Most... aid6783.table aid6783.tbin
6784 1 Title: (+/-)-trans-2-[3-methoxy-4-(4-chlorophenylthioethoxy)-5-(N-methyl-N- hydroxyureidyl)methylphenyl]-5-(3,4, 5-trimethoxyphenyl)tetrahydrofuran (CMI-392), a potent dual 5-lipoxygenase inhibitor and platelet-activating factor receptor antagonist. Abstract: By incorporating an N-hydroxyurea functionality onto diaryltetrahydrofurans, a novel series of compounds was investigated as dual 5-lipoxygenese (5-LO) inhibitor and platelet-activating factor (PAF) receptor antagonist. These dual functiona... aid6784.table aid6784.tbin
6785 1 Title: Synthesis and antiinflammatory activity of certain 5,6,7,8-tetrahydroquinolines and related compounds. Abstract: Modification of some 8-benzylidene-5,6,7,8-tetrahydroquinolines, which have good antiulcer activity, led to three distinct classes of compounds with good in vivo antiinflammatory activity. Initial efforts led to a series of alkenes derived from 5,6,7,8-tetrahydroquinolines substituted at the 8-position. A second approach concentrated on replacing the CH linkage of these 8-benzy... aid6785.table aid6785.tbin
6786 1 Title: Synthesis and antiinflammatory activity of certain 5,6,7,8-tetrahydroquinolines and related compounds. Abstract: Modification of some 8-benzylidene-5,6,7,8-tetrahydroquinolines, which have good antiulcer activity, led to three distinct classes of compounds with good in vivo antiinflammatory activity. Initial efforts led to a series of alkenes derived from 5,6,7,8-tetrahydroquinolines substituted at the 8-position. A second approach concentrated on replacing the CH linkage of these 8-benzy... aid6786.table aid6786.tbin
6787 12 Title: (+/-)-trans-2-[3-methoxy-4-(4-chlorophenylthioethoxy)-5-(N-methyl-N- hydroxyureidyl)methylphenyl]-5-(3,4, 5-trimethoxyphenyl)tetrahydrofuran (CMI-392), a potent dual 5-lipoxygenase inhibitor and platelet-activating factor receptor antagonist. Abstract: By incorporating an N-hydroxyurea functionality onto diaryltetrahydrofurans, a novel series of compounds was investigated as dual 5-lipoxygenese (5-LO) inhibitor and platelet-activating factor (PAF) receptor antagonist. These dual functiona... aid6787.table aid6787.tbin
6788 1 Title: (+/-)-trans-2-[3-methoxy-4-(4-chlorophenylthioethoxy)-5-(N-methyl-N- hydroxyureidyl)methylphenyl]-5-(3,4, 5-trimethoxyphenyl)tetrahydrofuran (CMI-392), a potent dual 5-lipoxygenase inhibitor and platelet-activating factor receptor antagonist. Abstract: By incorporating an N-hydroxyurea functionality onto diaryltetrahydrofurans, a novel series of compounds was investigated as dual 5-lipoxygenese (5-LO) inhibitor and platelet-activating factor (PAF) receptor antagonist. These dual functiona... aid6788.table aid6788.tbin
6789 1 Title: (+/-)-trans-2-[3-methoxy-4-(4-chlorophenylthioethoxy)-5-(N-methyl-N- hydroxyureidyl)methylphenyl]-5-(3,4, 5-trimethoxyphenyl)tetrahydrofuran (CMI-392), a potent dual 5-lipoxygenase inhibitor and platelet-activating factor receptor antagonist. Abstract: By incorporating an N-hydroxyurea functionality onto diaryltetrahydrofurans, a novel series of compounds was investigated as dual 5-lipoxygenese (5-LO) inhibitor and platelet-activating factor (PAF) receptor antagonist. These dual functiona... aid6789.table aid6789.tbin
6790 77 Title: 2-substituted-1-naphthols as potent 5-lipoxygenase inhibitors with topical antiinflammatory activity. Abstract: The synthesis, biological evaluation, and structure-activity relationships of a series of 1-naphthols bearing carbon substituents at the 2-position are described. These compounds are potent inhibitors of the 5-lipoxygenase from RBL-1 cells and also inhibit bovine seminal vesicle cyclooxygenase. Structure-activity relationships for these two enzymes are different, implying specif... aid6790.table aid6790.tbin
6791 12 Inhibition of 5-Lipoxygenase of rat basophilic leukemia cells aid6791.table aid6791.tbin
6792 2 Compound was evaluated for its inhibitory activity against 5-LO (5-lipoxygenase) aid6792.table aid6792.tbin
6793 4 Compound was evaluated for its inhibitory activity against 5-LO (5-lipoxygenase) in intact RBL-1 cell line assay aid6793.table aid6793.tbin
6794 30 Title: Structural requirements for the inhibition of 5-lipoxygenase by 15-hydroxyeicosa-5,8,11,13-tetraenoic acid analogues. Abstract: The structural requirements for inhibition of RBL-1 (rat basophilic leukemia) 5-lipoxygenase by 15-hydroxyeicosa-5,8,11,13-tetraenoic acid (15-HETE, 1) were studied by systematic chemical modifications of the molecule at the hydroxyl and carboxyl groups, the double bonds, and the carboxylate and omega side chains. The most potent inhibitors were analogues that co... aid6794.table aid6794.tbin
6795 1 Title: Structural requirements for the inhibition of 5-lipoxygenase by 15-hydroxyeicosa-5,8,11,13-tetraenoic acid analogues. Abstract: The structural requirements for inhibition of RBL-1 (rat basophilic leukemia) 5-lipoxygenase by 15-hydroxyeicosa-5,8,11,13-tetraenoic acid (15-HETE, 1) were studied by systematic chemical modifications of the molecule at the hydroxyl and carboxyl groups, the double bonds, and the carboxylate and omega side chains. The most potent inhibitors were analogues that co... aid6795.table aid6795.tbin
6796 1 Compound was evaluated in an intact RBL-1 cell line for inhibition of 5-lipoxygenase aid6796.table aid6796.tbin
6797 15 Title: Novel 1,2,4-oxadiazoles and 1,2,4-thiadiazoles as dual 5-lipoxygenase and cyclooxygenase inhibitors. Abstract: A series of 1,2,4-oxadiazoles and 1,2,4-thiadiazoles containing a 2,6-di-tert-butylphenol substituent were prepared and evaluated as dual inhibitors of 5-lipoxygenase and cyclooxygenase in rat basophilic leukemia (RBL-1) cells. Several of these compounds show oral efficacy in the rat carrageenan footpad edema (CFE) and mycobacterium footpad edema (MFE) antiinflammatory models, wi... aid6797.table aid6797.tbin
6798 9 Title: Novel 1,2,4-oxadiazoles and 1,2,4-thiadiazoles as dual 5-lipoxygenase and cyclooxygenase inhibitors. Abstract: A series of 1,2,4-oxadiazoles and 1,2,4-thiadiazoles containing a 2,6-di-tert-butylphenol substituent were prepared and evaluated as dual inhibitors of 5-lipoxygenase and cyclooxygenase in rat basophilic leukemia (RBL-1) cells. Several of these compounds show oral efficacy in the rat carrageenan footpad edema (CFE) and mycobacterium footpad edema (MFE) antiinflammatory models, wi... aid6798.table aid6798.tbin
6799 25 Title: Synthesis of [[(naphthalenylmethoxy)- and [[(quinolinylmethoxy)phenyl]amino]oxoalkanoic acid esters. A novel series of leukotriene D4 antagonists and 5-lipoxygenase inhibitors. Abstract: A series of novel [[(naphthalenylmethoxy)- and [[(quinolinylmethoxy)phenyl]amino]oxoalkanoic acid esters have been prepared. These compounds were tested as inhibitors of rat polymorphonuclear leukocyte (PMN) 5-lipoxygenase (LO) in vitro and as inhibitors of ovalbumin (OA) and leukotriene D4 (LTD4) induced... aid6799.table aid6799.tbin
6800 2 Compound was tested for inhibition of 5-lipoxygenase activity in a broken cell supernatant rat basophilic leukemia cells aid6800.table aid6800.tbin
6801 1 Compound was tested for inhibition of 5-lipoxygenase activity in a broken cell supernatant rat basophilic leukemia cells at concentration of 32 uM; Not active aid6801.table aid6801.tbin
6802 1 Compound was tested for inhibition of 5-lipoxygenase activity in a broken cell supernatant rat basophilic leukemia cells at concentration of 50 uM; Not active aid6802.table aid6802.tbin
6803 3 Compound was tested for inhibition of 5-lipoxygenase activity in a broken cell supernatant rat basophilic leukemia cells; No data aid6803.table aid6803.tbin
6804 25 Title: Dibenzoxepinone hydroxylamines and hydroxamic acids: dual inhibitors of cyclooxygenase and 5-lipoxygenase with potent topical antiinflammatory activity. Abstract: Hydroxylamine and hydroxamic acid derivatives of a known nonsteroidal antiinflammatory dibenzoxepine series display both cyclooxygenase (CO) and 5-lipoxygenase (5-LO) inhibitory properties. Many of these new dual CO/5-LO inhibitors also exhibit potent topical antiinflammatory activity in the arachidonic acid-induced murine ear e... aid6804.table aid6804.tbin
6805 18 Inhibitory activity against 5-lipoxygenase enzyme from RBL-1 cells aid6805.table aid6805.tbin
6806 51 Title: Syntheses of 5,6,7- and 5,7,8-trioxygenated 3',4'-dihydroxyflavones having alkoxy groups and their inhibitory activities against arachidonate 5-lipoxygenase. Abstract: Arachidonate 5-lipoxygenase plays a pivotal role in the biosynthesis of leukotrienes. Cirsiliol (3',4',5-trihydroxy-6,7-dimethoxyflavone), a selective inhibitor of the enzyme, was derivatized by introducing alkyl groups of various chain lengths at positions 5, 6, 7, and 8 of the A ring of the flavone skeleton. Modification ... aid6806.table aid6806.tbin
6807 2 Title: Syntheses of 5,6,7- and 5,7,8-trioxygenated 3',4'-dihydroxyflavones having alkoxy groups and their inhibitory activities against arachidonate 5-lipoxygenase. Abstract: Arachidonate 5-lipoxygenase plays a pivotal role in the biosynthesis of leukotrienes. Cirsiliol (3',4',5-trihydroxy-6,7-dimethoxyflavone), a selective inhibitor of the enzyme, was derivatized by introducing alkyl groups of various chain lengths at positions 5, 6, 7, and 8 of the A ring of the flavone skeleton. Modification ... aid6807.table aid6807.tbin
6808 10 Inhibition of rat basophilic leukemia cell 5-lipoxygenase aid6808.table aid6808.tbin
6809 47 Title: Hydroxamic acid inhibitors of 5-lipoxygenase. Abstract: The hydroxamic acid functionality can be incorporated in a variety of simple molecules to produce potent inhibitors of 5-lipoxygenase. As an example of this, the structure-activity relationships in a series of omega-phenylalkyl and omega-naphthylalkyl hydroxamic acids are presented. Among the features described are the influence of hydrophobicity, aryl substitution, and modifications of the hydroxamate group on enzyme inhibitory pote... aid6809.table aid6809.tbin
6810 1 Title: Hydroxamic acid inhibitors of 5-lipoxygenase. Abstract: The hydroxamic acid functionality can be incorporated in a variety of simple molecules to produce potent inhibitors of 5-lipoxygenase. As an example of this, the structure-activity relationships in a series of omega-phenylalkyl and omega-naphthylalkyl hydroxamic acids are presented. Among the features described are the influence of hydrophobicity, aryl substitution, and modifications of the hydroxamate group on enzyme inhibitory pote... aid6810.table aid6810.tbin
6811 1 Title: Hydroxamic acid inhibitors of 5-lipoxygenase. Abstract: The hydroxamic acid functionality can be incorporated in a variety of simple molecules to produce potent inhibitors of 5-lipoxygenase. As an example of this, the structure-activity relationships in a series of omega-phenylalkyl and omega-naphthylalkyl hydroxamic acids are presented. Among the features described are the influence of hydrophobicity, aryl substitution, and modifications of the hydroxamate group on enzyme inhibitory pote... aid6811.table aid6811.tbin
6812 1 Title: Hydroxamic acid inhibitors of 5-lipoxygenase. Abstract: The hydroxamic acid functionality can be incorporated in a variety of simple molecules to produce potent inhibitors of 5-lipoxygenase. As an example of this, the structure-activity relationships in a series of omega-phenylalkyl and omega-naphthylalkyl hydroxamic acids are presented. Among the features described are the influence of hydrophobicity, aryl substitution, and modifications of the hydroxamate group on enzyme inhibitory pote... aid6812.table aid6812.tbin
6813 1 Title: Hydroxamic acid inhibitors of 5-lipoxygenase. Abstract: The hydroxamic acid functionality can be incorporated in a variety of simple molecules to produce potent inhibitors of 5-lipoxygenase. As an example of this, the structure-activity relationships in a series of omega-phenylalkyl and omega-naphthylalkyl hydroxamic acids are presented. Among the features described are the influence of hydrophobicity, aryl substitution, and modifications of the hydroxamate group on enzyme inhibitory pote... aid6813.table aid6813.tbin
6814 7 Compound was tested for its inhibitory activity against 5-lipoxygenase in rat. aid6814.table aid6814.tbin
6815 1 Title: (Methoxyalkyl)thiazoles: a new series of potent, selective, and orally active 5-lipoxygenase inhibitors displaying high enantioselectivity. Abstract: (Methoxyalkyl)thiazoles are novel 5-lipoxygenase (5-LPO) inhibitors that are neither redox agents nor iron chelators. Consideration of a hypothetical model of the enzyme active site led to this series which is exemplified by 1-[3-(naphth-2-ylmethoxy)phenyl]-1-(thiazol-2-yl)propy l methyl ether (2d, ICI211965). 2d inhibits cell-free guinea pi... aid6815.table aid6815.tbin
6816 6 Title: (Methoxyalkyl)thiazoles: a new series of potent, selective, and orally active 5-lipoxygenase inhibitors displaying high enantioselectivity. Abstract: (Methoxyalkyl)thiazoles are novel 5-lipoxygenase (5-LPO) inhibitors that are neither redox agents nor iron chelators. Consideration of a hypothetical model of the enzyme active site led to this series which is exemplified by 1-[3-(naphth-2-ylmethoxy)phenyl]-1-(thiazol-2-yl)propy l methyl ether (2d, ICI211965). 2d inhibits cell-free guinea pi... aid6816.table aid6816.tbin
6817 7 Title: Synthesis and structure-activity relationships of a novel class of 5-lipoxygenase inhibitors. 2-(Phenylmethyl)-4-hydroxy-3,5-dialkylbenzofurans: the development of L-656,224. Abstract: The synthesis of a series of 2-(phenylmethyl)-4-hydroxy-3,5-dialkylbenzofurans and their inhibitory effects against leukotriene biosynthesis and 5-lipoxygenase activity in vitro are described. Many compounds in this series were found to be potent inhibitors of LTB4 production by human polymorphonuclear leuk... aid6817.table aid6817.tbin
6818 1 Title: N-[(arylmethoxy)phenyl] carboxylic acids, hydroxamic acids, tetrazoles, and sulfonyl carboxamides. Potent orally active leukotriene D4 antagonists of novel structure. Abstract: Four series of N-[(arylmethoxy)phenyl] compounds were prepared as leukotriene D4 (LTD4) antagonists. In the hydroxamic acid series, methyl 3-(2-quinolinylmethoxy)benzeneacetohydroxamate (Wy-48,422, 20) was the most potent inhibitor of LTD4-induced bronchoconstriction with an oral ED50 of 7.9 mg/kg. Compound 20 also... aid6818.table aid6818.tbin
6819 3 Title: 5-Lipoxygenase inhibitors: synthesis and structure-activity relationships of a series of 1-aryl-2H,4H-tetrahydro-1,2,4-triazin-3-ones. Abstract: Synthetic routes were developed to access a variety of novel 1-aryl-2H,4H-tetrahydro-1,2,4-triazin-3-one analogs which were evaluated as 5-lipoxygenase (5-LO) inhibitors. The parent structure, 1-phenylperhydro-1,2,4-triazin-3-one (4), was found to be a selective inhibitor of 5-LO in broken cell, intact cell, and human blood assays with IC50 value... aid6819.table aid6819.tbin
6820 57 Title: 3,4-Dihydroxychalcones as potent 5-lipoxygenase and cyclooxygenase inhibitors. Abstract: A novel series of 3,4-dihydroxychalcones was synthesized to evaluate their effects against 5-lipoxygenase and cyclooxygenase. Almost all compounds exhibited potent inhibitory effects on 5-lipoxygenase with antioxidative effects, and some also inhibited cyclooxygenase. The 2',5'-disubstituted 3,4-dihydroxychalcones with hydroxy or alkoxy groups exhibited optimal inhibition of cyclooxygenase. We found t... aid6820.table aid6820.tbin
6821 24 Title: Synthesis and 5-lipoxygenase inhibitory activities of some novel 2-substituted 5-benzofuran hydroxamic acids. Abstract: A series of 2-substituted benzofuran hydroxyamic acids were synthesized as rigid analogs of simple (benzyloxy)phenyl hydroxamates, evaluated for their in vitro and in vivo 5-lipoxygenase activity and found to be potent inhibitors of the enzyme. Substituents which enhanced lipophilicity near the 2-position of the benzofuran nucleus increased inhibitor potency but reduced ... aid6821.table aid6821.tbin
6822 33 Title: Structure-activity analysis of a class of orally active hydroxamic acid inhibitors of leukotriene biosynthesis. Abstract: The nature of the carbonyl and nitrogen substituents of hydroxamic acids has a major influence on the biological profile of these compounds. Hydroxamates with small groups such as methyl appended to the carbonyl and relatively large nitrogen substituents generally have longer duration in vivo, produce greater plasma concentrations, and often are more potent inhibitors ... aid6822.table aid6822.tbin
6823 8 Title: Orally active hydroxamic acid inhibitors of leukotriene biosynthesis. aid6823.table aid6823.tbin
6824 68 Title: 1,2-Dihydro-1-oxopyrrolo[3,2,1-kl]phenothiazine-2-carboxamides and congeners, dual cyclooxygenase/5-lipoxygenase inhibitors with antiinflammatory activity. Abstract: A series of 1,2-dihydro-1-oxopyrrolo[3,2,1-kl]phenothiazine, 1,2-dihydro-1-oxopyrrolo[3,2,1-kl]phenoxazine, and 1,2-dihydro-1-oxopyrrolo[3,2,1-de]acridine-2-carboxamides were prepared by reaction of 1,2-dihydro-1-oxo-pyrrolo[3,2,1-kl]phenothiazine or other corresponding phenoxazine and acridan ethyl or methyl esters with appr... aid6824.table aid6824.tbin
6825 5 Title: Novel 1H-benzimidazol-4-ols with potent 5-lipoxygenase inhibitory activity. Abstract: The synthesis and structure--activity profile of 2-substituted benzimidazol-4-ols as inhibitors of cell-free RBL-1 5-lipoxygenase are discussed, and their potency is compared with that of the standard inhibitors phenidone, AA 861, BW 755C, and nordihydroguaiaretic acid. In contrast to the standard compounds, most did not inhibit the release of slow-reacting substance of anaphylaxis (SRS-A) in vivo when a... aid6825.table aid6825.tbin
6826 1 Title: Novel 1H-benzimidazol-4-ols with potent 5-lipoxygenase inhibitory activity. Abstract: The synthesis and structure--activity profile of 2-substituted benzimidazol-4-ols as inhibitors of cell-free RBL-1 5-lipoxygenase are discussed, and their potency is compared with that of the standard inhibitors phenidone, AA 861, BW 755C, and nordihydroguaiaretic acid. In contrast to the standard compounds, most did not inhibit the release of slow-reacting substance of anaphylaxis (SRS-A) in vivo when a... aid6826.table aid6826.tbin
6827 1 Title: Novel 1H-benzimidazol-4-ols with potent 5-lipoxygenase inhibitory activity. Abstract: The synthesis and structure--activity profile of 2-substituted benzimidazol-4-ols as inhibitors of cell-free RBL-1 5-lipoxygenase are discussed, and their potency is compared with that of the standard inhibitors phenidone, AA 861, BW 755C, and nordihydroguaiaretic acid. In contrast to the standard compounds, most did not inhibit the release of slow-reacting substance of anaphylaxis (SRS-A) in vivo when a... aid6827.table aid6827.tbin
6828 1 Title: Novel 1H-benzimidazol-4-ols with potent 5-lipoxygenase inhibitory activity. Abstract: The synthesis and structure--activity profile of 2-substituted benzimidazol-4-ols as inhibitors of cell-free RBL-1 5-lipoxygenase are discussed, and their potency is compared with that of the standard inhibitors phenidone, AA 861, BW 755C, and nordihydroguaiaretic acid. In contrast to the standard compounds, most did not inhibit the release of slow-reacting substance of anaphylaxis (SRS-A) in vivo when a... aid6828.table aid6828.tbin
6829 1 Title: Novel 1H-benzimidazol-4-ols with potent 5-lipoxygenase inhibitory activity. Abstract: The synthesis and structure--activity profile of 2-substituted benzimidazol-4-ols as inhibitors of cell-free RBL-1 5-lipoxygenase are discussed, and their potency is compared with that of the standard inhibitors phenidone, AA 861, BW 755C, and nordihydroguaiaretic acid. In contrast to the standard compounds, most did not inhibit the release of slow-reacting substance of anaphylaxis (SRS-A) in vivo when a... aid6829.table aid6829.tbin
6830 1 Title: Novel 1H-benzimidazol-4-ols with potent 5-lipoxygenase inhibitory activity. Abstract: The synthesis and structure--activity profile of 2-substituted benzimidazol-4-ols as inhibitors of cell-free RBL-1 5-lipoxygenase are discussed, and their potency is compared with that of the standard inhibitors phenidone, AA 861, BW 755C, and nordihydroguaiaretic acid. In contrast to the standard compounds, most did not inhibit the release of slow-reacting substance of anaphylaxis (SRS-A) in vivo when a... aid6830.table aid6830.tbin
6831 1 Title: Novel 1H-benzimidazol-4-ols with potent 5-lipoxygenase inhibitory activity. Abstract: The synthesis and structure--activity profile of 2-substituted benzimidazol-4-ols as inhibitors of cell-free RBL-1 5-lipoxygenase are discussed, and their potency is compared with that of the standard inhibitors phenidone, AA 861, BW 755C, and nordihydroguaiaretic acid. In contrast to the standard compounds, most did not inhibit the release of slow-reacting substance of anaphylaxis (SRS-A) in vivo when a... aid6831.table aid6831.tbin
6832 1 Title: Novel 1H-benzimidazol-4-ols with potent 5-lipoxygenase inhibitory activity. Abstract: The synthesis and structure--activity profile of 2-substituted benzimidazol-4-ols as inhibitors of cell-free RBL-1 5-lipoxygenase are discussed, and their potency is compared with that of the standard inhibitors phenidone, AA 861, BW 755C, and nordihydroguaiaretic acid. In contrast to the standard compounds, most did not inhibit the release of slow-reacting substance of anaphylaxis (SRS-A) in vivo when a... aid6832.table aid6832.tbin
6833 1 Title: Novel 1H-benzimidazol-4-ols with potent 5-lipoxygenase inhibitory activity. Abstract: The synthesis and structure--activity profile of 2-substituted benzimidazol-4-ols as inhibitors of cell-free RBL-1 5-lipoxygenase are discussed, and their potency is compared with that of the standard inhibitors phenidone, AA 861, BW 755C, and nordihydroguaiaretic acid. In contrast to the standard compounds, most did not inhibit the release of slow-reacting substance of anaphylaxis (SRS-A) in vivo when a... aid6833.table aid6833.tbin
6834 1 Title: Novel 1H-benzimidazol-4-ols with potent 5-lipoxygenase inhibitory activity. Abstract: The synthesis and structure--activity profile of 2-substituted benzimidazol-4-ols as inhibitors of cell-free RBL-1 5-lipoxygenase are discussed, and their potency is compared with that of the standard inhibitors phenidone, AA 861, BW 755C, and nordihydroguaiaretic acid. In contrast to the standard compounds, most did not inhibit the release of slow-reacting substance of anaphylaxis (SRS-A) in vivo when a... aid6834.table aid6834.tbin
6835 1 Title: Novel 1H-benzimidazol-4-ols with potent 5-lipoxygenase inhibitory activity. Abstract: The synthesis and structure--activity profile of 2-substituted benzimidazol-4-ols as inhibitors of cell-free RBL-1 5-lipoxygenase are discussed, and their potency is compared with that of the standard inhibitors phenidone, AA 861, BW 755C, and nordihydroguaiaretic acid. In contrast to the standard compounds, most did not inhibit the release of slow-reacting substance of anaphylaxis (SRS-A) in vivo when a... aid6835.table aid6835.tbin
6836 1 Title: Novel 1H-benzimidazol-4-ols with potent 5-lipoxygenase inhibitory activity. Abstract: The synthesis and structure--activity profile of 2-substituted benzimidazol-4-ols as inhibitors of cell-free RBL-1 5-lipoxygenase are discussed, and their potency is compared with that of the standard inhibitors phenidone, AA 861, BW 755C, and nordihydroguaiaretic acid. In contrast to the standard compounds, most did not inhibit the release of slow-reacting substance of anaphylaxis (SRS-A) in vivo when a... aid6836.table aid6836.tbin
6837 1 Title: Novel 1H-benzimidazol-4-ols with potent 5-lipoxygenase inhibitory activity. Abstract: The synthesis and structure--activity profile of 2-substituted benzimidazol-4-ols as inhibitors of cell-free RBL-1 5-lipoxygenase are discussed, and their potency is compared with that of the standard inhibitors phenidone, AA 861, BW 755C, and nordihydroguaiaretic acid. In contrast to the standard compounds, most did not inhibit the release of slow-reacting substance of anaphylaxis (SRS-A) in vivo when a... aid6837.table aid6837.tbin
6838 1 Title: Novel 1H-benzimidazol-4-ols with potent 5-lipoxygenase inhibitory activity. Abstract: The synthesis and structure--activity profile of 2-substituted benzimidazol-4-ols as inhibitors of cell-free RBL-1 5-lipoxygenase are discussed, and their potency is compared with that of the standard inhibitors phenidone, AA 861, BW 755C, and nordihydroguaiaretic acid. In contrast to the standard compounds, most did not inhibit the release of slow-reacting substance of anaphylaxis (SRS-A) in vivo when a... aid6838.table aid6838.tbin
6839 1 Title: Novel 1H-benzimidazol-4-ols with potent 5-lipoxygenase inhibitory activity. Abstract: The synthesis and structure--activity profile of 2-substituted benzimidazol-4-ols as inhibitors of cell-free RBL-1 5-lipoxygenase are discussed, and their potency is compared with that of the standard inhibitors phenidone, AA 861, BW 755C, and nordihydroguaiaretic acid. In contrast to the standard compounds, most did not inhibit the release of slow-reacting substance of anaphylaxis (SRS-A) in vivo when a... aid6839.table aid6839.tbin
6840 1 Title: Novel 1H-benzimidazol-4-ols with potent 5-lipoxygenase inhibitory activity. Abstract: The synthesis and structure--activity profile of 2-substituted benzimidazol-4-ols as inhibitors of cell-free RBL-1 5-lipoxygenase are discussed, and their potency is compared with that of the standard inhibitors phenidone, AA 861, BW 755C, and nordihydroguaiaretic acid. In contrast to the standard compounds, most did not inhibit the release of slow-reacting substance of anaphylaxis (SRS-A) in vivo when a... aid6840.table aid6840.tbin
6841 1 Title: Novel 1H-benzimidazol-4-ols with potent 5-lipoxygenase inhibitory activity. Abstract: The synthesis and structure--activity profile of 2-substituted benzimidazol-4-ols as inhibitors of cell-free RBL-1 5-lipoxygenase are discussed, and their potency is compared with that of the standard inhibitors phenidone, AA 861, BW 755C, and nordihydroguaiaretic acid. In contrast to the standard compounds, most did not inhibit the release of slow-reacting substance of anaphylaxis (SRS-A) in vivo when a... aid6841.table aid6841.tbin
6842 1 Title: Novel 1H-benzimidazol-4-ols with potent 5-lipoxygenase inhibitory activity. Abstract: The synthesis and structure--activity profile of 2-substituted benzimidazol-4-ols as inhibitors of cell-free RBL-1 5-lipoxygenase are discussed, and their potency is compared with that of the standard inhibitors phenidone, AA 861, BW 755C, and nordihydroguaiaretic acid. In contrast to the standard compounds, most did not inhibit the release of slow-reacting substance of anaphylaxis (SRS-A) in vivo when a... aid6842.table aid6842.tbin
6843 1 Title: Novel 1H-benzimidazol-4-ols with potent 5-lipoxygenase inhibitory activity. Abstract: The synthesis and structure--activity profile of 2-substituted benzimidazol-4-ols as inhibitors of cell-free RBL-1 5-lipoxygenase are discussed, and their potency is compared with that of the standard inhibitors phenidone, AA 861, BW 755C, and nordihydroguaiaretic acid. In contrast to the standard compounds, most did not inhibit the release of slow-reacting substance of anaphylaxis (SRS-A) in vivo when a... aid6843.table aid6843.tbin
6844 1 Title: Novel 1H-benzimidazol-4-ols with potent 5-lipoxygenase inhibitory activity. Abstract: The synthesis and structure--activity profile of 2-substituted benzimidazol-4-ols as inhibitors of cell-free RBL-1 5-lipoxygenase are discussed, and their potency is compared with that of the standard inhibitors phenidone, AA 861, BW 755C, and nordihydroguaiaretic acid. In contrast to the standard compounds, most did not inhibit the release of slow-reacting substance of anaphylaxis (SRS-A) in vivo when a... aid6844.table aid6844.tbin
6845 1 Title: Novel 1H-benzimidazol-4-ols with potent 5-lipoxygenase inhibitory activity. Abstract: The synthesis and structure--activity profile of 2-substituted benzimidazol-4-ols as inhibitors of cell-free RBL-1 5-lipoxygenase are discussed, and their potency is compared with that of the standard inhibitors phenidone, AA 861, BW 755C, and nordihydroguaiaretic acid. In contrast to the standard compounds, most did not inhibit the release of slow-reacting substance of anaphylaxis (SRS-A) in vivo when a... aid6845.table aid6845.tbin
6846 1 Title: Novel 1H-benzimidazol-4-ols with potent 5-lipoxygenase inhibitory activity. Abstract: The synthesis and structure--activity profile of 2-substituted benzimidazol-4-ols as inhibitors of cell-free RBL-1 5-lipoxygenase are discussed, and their potency is compared with that of the standard inhibitors phenidone, AA 861, BW 755C, and nordihydroguaiaretic acid. In contrast to the standard compounds, most did not inhibit the release of slow-reacting substance of anaphylaxis (SRS-A) in vivo when a... aid6846.table aid6846.tbin
6847 1 Title: Novel 1H-benzimidazol-4-ols with potent 5-lipoxygenase inhibitory activity. Abstract: The synthesis and structure--activity profile of 2-substituted benzimidazol-4-ols as inhibitors of cell-free RBL-1 5-lipoxygenase are discussed, and their potency is compared with that of the standard inhibitors phenidone, AA 861, BW 755C, and nordihydroguaiaretic acid. In contrast to the standard compounds, most did not inhibit the release of slow-reacting substance of anaphylaxis (SRS-A) in vivo when a... aid6847.table aid6847.tbin
6848 1 Title: Novel 1H-benzimidazol-4-ols with potent 5-lipoxygenase inhibitory activity. Abstract: The synthesis and structure--activity profile of 2-substituted benzimidazol-4-ols as inhibitors of cell-free RBL-1 5-lipoxygenase are discussed, and their potency is compared with that of the standard inhibitors phenidone, AA 861, BW 755C, and nordihydroguaiaretic acid. In contrast to the standard compounds, most did not inhibit the release of slow-reacting substance of anaphylaxis (SRS-A) in vivo when a... aid6848.table aid6848.tbin
6849 29 Title: Synthesis and 5-lipoxygenase inhibitory activity of 5-hydroperoxy-6,8,11,14-eicosatetraenoic acid analogues. Abstract: A series of eicosatetraenes (2-24) were designed, synthesized, and evaluated in vitro for inhibitory activity against 5-lipoxygenase (20000g supernatant from homogenized rat basophilic leukemia cells). All compounds were found to be active with the potencies (IC50's) ranging from 0.19 to 97 microM. Compounds containing the hydroxamic acid functionality (10-12) exhibited t... aid6849.table aid6849.tbin
6850 8 Title: Penta- and hexadienoic acid derivatives: a novel series of 5-lipoxygenase inhibitors. Abstract: The synthesis of a series of pentadienoic and hexadienoic acid derivatives is reported. These compounds were tested as inhibitors of 5-lipoxygenase (5 LO) and cyclooxygenase (CO) in vitro and as inhibitors of arachidonic acid (AA) induced ear edema in mice in vivo. Their potency is compared with that of the standard inhibitors nafazatrom, BW 755C, NDGA, KME4, quercetine, and L 652,243. The most... aid6850.table aid6850.tbin
6851 13 In vitro inhibition of 5-lipoxygenase in RBL-2H3 (Rat basophilic leukemia) cells. aid6851.table aid6851.tbin
6852 6 In vitro inhibition of 5-lipoxygenase in RBL-2H3 (Rat basophilic leukemia) cells; Not tested aid6852.table aid6852.tbin
6853 12 Inhibition of 5-lipoxygenase from rat basophilic leukemia(RBL-1) cells aid6853.table aid6853.tbin
6854 2 Title: 5-lipoxygenase inhibitors with histamine H(1) receptor antagonist activity. Abstract: A series of novel compounds with both 5-lipoxygenase (5-LO) inhibitory and histamine H(1) receptor antagonist activity were designed for the treatment of asthma. These dual-function compounds were made by connecting 5-LO and H(1) pharmacophores,N-hydroxyureas and benzhydryl piperazines, respectively. A range of in vitro activities was observed, with the furan analog 10 demonstrating both activities in an... aid6854.table aid6854.tbin
6855 17 Title: Penta- and hexadienoic acid derivatives: a novel series of 5-lipoxygenase inhibitors. Abstract: The synthesis of a series of pentadienoic and hexadienoic acid derivatives is reported. These compounds were tested as inhibitors of 5-lipoxygenase (5 LO) and cyclooxygenase (CO) in vitro and as inhibitors of arachidonic acid (AA) induced ear edema in mice in vivo. Their potency is compared with that of the standard inhibitors nafazatrom, BW 755C, NDGA, KME4, quercetine, and L 652,243. The most... aid6855.table aid6855.tbin
6856 11 Title: In vivo characterization of hydroxamic acid inhibitors of 5-lipoxygenase. Abstract: The hydroxamic acid functionally can be incorporated into simple molecules to produce potent inhibitors of 5-lipoxygenase. The ability of many of these hydroxamates to inhibit leukotriene synthesis in vivo has been measured directly with a rat peritoneal anaphylaxis model. Despite their potent enzyme inhibitory activity in vitro, many orally dosed hydroxamic acids only weakly inhibited leukotriene synthesi... aid6856.table aid6856.tbin
6857 59 Title: Synthesis, chemical, and biological properties of vinylogous hydroxamic acids: dual inhibitors of 5-lipoxygenase and IL-1 biosynthesis. Abstract: Vinylogous hydroxamic acids (3-(N-hydroxy-N-alkylamino)-2-propen-1-ones, VHA) were prepared as antiinflammatory agents. The synthesis, chemical properties, and in vitro biological activities of these relatively unexplored compounds are described. The VHAs were prepared by condensation of the appropriate N-substituted hydroxylamine with any of th... aid6857.table aid6857.tbin
6858 6 In vitro inhibitory activity against 5-lipoxygenase was determined aid6858.table aid6858.tbin
6859 3 Title: N-Aminoindoline derivatives as inhibitors of 5-lipoxygenase. Abstract: N-Aminoindoline derivatives were prepared and their 5-lipoxygenase inhibitory activities were evaluated in vitro and compared with those of phenidone and NDGA. Compound 4 presents the most effective 5-LO inhibition. aid6859.table aid6859.tbin
6860 17 Title: Nonsteroidal antiinflammatory drug hydroxamic acids. Dual inhibitors of both cyclooxygenase and 5-lipoxygenase. aid6860.table aid6860.tbin
6861 10 Title: Nonsteroidal anti-inflammatory drugs as scaffolds for the design of 5-lipoxygenase inhibitors. Abstract: Representative nonsteroidal anti-inflammatory drug (NSAID) cyclooxygenase inhibitors such as ibuprofen, naproxen, and indomethacin were used as orally bioavailable scaffolds to design selective 5-lipoxygenase (5-LO) inhibitors. Replacement of the NSAID carboxylic acid group with a N-hydroxyurea group provided congeners with selective 5-LO inhibitory activity. aid6861.table aid6861.tbin
6862 2 Inhibition of 5-Lipoxygenase (5-LO) in rat basophilic leukemia cells aid6862.table aid6862.tbin
6863 1 Inhibition of 5-Lipoxygenase (5-LO) in rat basophilic leukemic cells aid6863.table aid6863.tbin
6864 63 Title: 5-Lipoxygenase inhibitors: synthesis and structure-activity relationships of a series of 1-aryl-2H,4H-tetrahydro-1,2,4-triazin-3-ones. Abstract: Synthetic routes were developed to access a variety of novel 1-aryl-2H,4H-tetrahydro-1,2,4-triazin-3-one analogs which were evaluated as 5-lipoxygenase (5-LO) inhibitors. The parent structure, 1-phenylperhydro-1,2,4-triazin-3-one (4), was found to be a selective inhibitor of 5-LO in broken cell, intact cell, and human blood assays with IC50 value... aid6864.table aid6864.tbin
6865 8 Title: 4-Hydroxy-3-quinolinecarboxamides with antiarthritic and analgesic activities. Abstract: A series of 4-hydroxy-3-quinolinecarboxamides has been synthesized and evaluated by the oral route as antiinflammatory agents in carrageenin-induced foot edema and adjuvant-induced arthritis and as analgesic agents in the acetic acid induced writhing test. Among the most active molecules, some have shown both analgesic and acute antiinflammatory activities. Others, such as compounds 24, 37, and 52, we... aid6865.table aid6865.tbin
6866 14 Inhibition of 5-lipoxygenase of rat basophilic leukemia (RBL) cell cytosolic enzymes aid6866.table aid6866.tbin
6867 14 Title: 1,3,4-Oxadiazole, 1,3,4-thiadiazole, and 1,2,4-triazole analogs of the fenamates: in vitro inhibition of cyclooxygenase and 5-lipoxygenase activities. Abstract: N-Arylanthranilic acids, known generically as the fenamates, are nonsteroidal antiinflammatory drugs (NSAIDs) that block the metabolism of arachidonic acid by the enzyme cyclooxygenase (CO). Substitution of the carboxylic acid functionality of several fenamates with acidic heterocycles provided dual inhibitors of CO and 5-lipoxyge... aid6867.table aid6867.tbin
6868 7 Title: N-hydroxyurea and hydroxamic acid inhibitors of cyclooxygenase and 5-lipoxygenase. Abstract: Two series of compounds (1 and 2) having structural features of the dual COX/5-LO inhibitor tepoxalin and the 5-LO inhibitor ABT-761 were prepared. Many of these hybrid compounds are potent COX and 5-LO inhibitors; two compounds (1a and 2t) inhibit eicosanoid biosynthesis in an ex vivo assay. aid6868.table aid6868.tbin
6869 5 Title: N-hydroxyurea and hydroxamic acid inhibitors of cyclooxygenase and 5-lipoxygenase. Abstract: Two series of compounds (1 and 2) having structural features of the dual COX/5-LO inhibitor tepoxalin and the 5-LO inhibitor ABT-761 were prepared. Many of these hybrid compounds are potent COX and 5-LO inhibitors; two compounds (1a and 2t) inhibit eicosanoid biosynthesis in an ex vivo assay. aid6869.table aid6869.tbin
6870 12 Title: Design, synthesis, and 5-lipoxygenase-inhibiting properties of 1-thio-substituted butadienes. Abstract: The synthesis of novel 1-thio-substituted butadienes, designed as mechanism-based 5-lipoxygenase inhibitors, is described. The structure of these compounds closely resembles a proposed high-energy intermediate during the lipoxygenation of arachidonic acid. They demonstrate 5-lipoxygenase inhibition in vitro and in vivo. The most potent compound is 15a with an IC50 of 1.8 microM in vitro... aid6870.table aid6870.tbin
6871 28 Title: Synthesis and biological evaluation of 5-[[3,5-bis(1,1-dimethylethyl)- 4-hydroxyphenyl]methylene]oxazoles, -thiazoles, and -imidazoles: novel dual 5-lipoxygenase and cyclooxygenase inhibitors with antiinflammatory activity. Abstract: A variety of benzylideneoxazoles, -thiazoles, and -imidazoles derived from 2,6-di-tert-butylphenol were prepared and evaluated as dual inhibitors of 5-lipoxygenase and cyclooxygenase in rat basophilic leukemia (RBL-1) cells. The target compounds exhibit varyi... aid6871.table aid6871.tbin
6872 4 Title: Resolved N,N-dialkylated 2-amino-8-hydroxytetralins: stereoselective interactions with 5-HT1A receptors in the brain. Abstract: The enantiomers of the N,N-dimethylamino (1), N,N-diethylamino (2), and N,N-dibutylamino (4) derivatives of 8-hydroxy-2-(dipropylamino)tetralin (8-OH DPAT; 3) have been synthesized. The compounds have been tested for activity at central 5-hydroxytryptamine and dopamine receptors by use of biochemical and behavioral tests in rats. In addition, the ability of the e... aid6872.table aid6872.tbin
6873 1 Title: Resolved N,N-dialkylated 2-amino-8-hydroxytetralins: stereoselective interactions with 5-HT1A receptors in the brain. Abstract: The enantiomers of the N,N-dimethylamino (1), N,N-diethylamino (2), and N,N-dibutylamino (4) derivatives of 8-hydroxy-2-(dipropylamino)tetralin (8-OH DPAT; 3) have been synthesized. The compounds have been tested for activity at central 5-hydroxytryptamine and dopamine receptors by use of biochemical and behavioral tests in rats. In addition, the ability of the e... aid6873.table aid6873.tbin
6874 8 Title: Resolved N,N-dialkylated 2-amino-8-hydroxytetralins: stereoselective interactions with 5-HT1A receptors in the brain. Abstract: The enantiomers of the N,N-dimethylamino (1), N,N-diethylamino (2), and N,N-dibutylamino (4) derivatives of 8-hydroxy-2-(dipropylamino)tetralin (8-OH DPAT; 3) have been synthesized. The compounds have been tested for activity at central 5-hydroxytryptamine and dopamine receptors by use of biochemical and behavioral tests in rats. In addition, the ability of the e... aid6874.table aid6874.tbin
6875 5 Title: Design and synthesis of propranolol analogues as serotonergic agents. Abstract: Serotonin (5-HT) binds with nearly identical affinity at the various central 5-HT binding sites. Few agents bind with selectivity for 5-HT1A sites. The beta-adrenergic antagonist propranolol binds stereoselectively both at 5-HT1A and 5-HT1B sites (with a several-fold selectivity for the latter) and, whereas it is a 5-HT1A antagonist, it appears to be a 5-HT1B agonist. As such, it could serve as a lead compound... aid6875.table aid6875.tbin
6876 1 Title: Design and synthesis of propranolol analogues as serotonergic agents. Abstract: Serotonin (5-HT) binds with nearly identical affinity at the various central 5-HT binding sites. Few agents bind with selectivity for 5-HT1A sites. The beta-adrenergic antagonist propranolol binds stereoselectively both at 5-HT1A and 5-HT1B sites (with a several-fold selectivity for the latter) and, whereas it is a 5-HT1A antagonist, it appears to be a 5-HT1B agonist. As such, it could serve as a lead compound... aid6876.table aid6876.tbin
6877 2 Title: Design and synthesis of propranolol analogues as serotonergic agents. Abstract: Serotonin (5-HT) binds with nearly identical affinity at the various central 5-HT binding sites. Few agents bind with selectivity for 5-HT1A sites. The beta-adrenergic antagonist propranolol binds stereoselectively both at 5-HT1A and 5-HT1B sites (with a several-fold selectivity for the latter) and, whereas it is a 5-HT1A antagonist, it appears to be a 5-HT1B agonist. As such, it could serve as a lead compound... aid6877.table aid6877.tbin
6878 3 Title: Substituted chromenes as potent, orally active 5-lipoxygenase inhibitors. Abstract: A series of chromene derivatives was synthesized and evaluated for their in vitro and ex vivo 5-lipoxygenase (5-LO) inhibitory activity. These compounds were prepared by condensation of appropriate salicyl aldehydes with alpha, beta-unsaturated carbonyl compounds, followed by transformation to the corresponding hydroxamic acids or N-hydroxyureas. Placement of phenoxy or p-fluorophenoxy substituents at the ... aid6878.table aid6878.tbin
6879 3 Title: Substituted chromenes as potent, orally active 5-lipoxygenase inhibitors. Abstract: A series of chromene derivatives was synthesized and evaluated for their in vitro and ex vivo 5-lipoxygenase (5-LO) inhibitory activity. These compounds were prepared by condensation of appropriate salicyl aldehydes with alpha, beta-unsaturated carbonyl compounds, followed by transformation to the corresponding hydroxamic acids or N-hydroxyureas. Placement of phenoxy or p-fluorophenoxy substituents at the ... aid6879.table aid6879.tbin
6880 1 Title: 5-lipoxygenase: properties, pharmacology, and the quinolinyl(bridged)aryl class of inhibitors. Abstract: In conclusion, an effective modulator of the AA cascade for the treatment of asthma and other inflammatory diseases may require 5-LO inhibitory activity as well as LTD4 antagonism in order to limit the effects of LTB4, LTD4, and 5-HPETE. The unknown role of LTC4 with respect to bronchoconstriction and mucus production could mask the efficacy of a pure LTD4 antagonist in man, whereas th... aid6880.table aid6880.tbin
6881 40 Title: Antipsoriatic anthrones with modulated redox properties. 2. Novel derivatives of chrysarobin and isochrysarobin--antiproliferative activity and 5-lipoxygenase inhibition. Abstract: A novel series of 2- and 3-substituted 1,8-dihydroxy-9(10H)-anthracenones were synthesized and tested for their inhibitory activity against 5-lipoxygenase (5-LO) in bovine polymorphonuclear leukocytes and the growth of human keratinocytes. Structure-activity relationships are discussed with respect to the follo... aid6881.table aid6881.tbin
6882 29 Title: Antipsoriatic anthrones with modulated redox properties. 1. Novel 10-substituted 1,8-dihydroxy-9(10H)-anthracenones as inhibitors of 5-lipoxygenase. Abstract: The syntheses, the biological evaluation, and the structure-activity relationships of a novel series of 1,8-dihydroxy-9(10H)-anthracenones bearing acyl-, alkyl-, or alkylidene-linked aromatic substituents in the 10-position are described. The phenylacyl and phenylalkylidene analogs were far more potent inhibitors of 5-lipoxygenase (... aid6882.table aid6882.tbin
6883 1 Title: Antipsoriatic anthrones with modulated redox properties. 1. Novel 10-substituted 1,8-dihydroxy-9(10H)-anthracenones as inhibitors of 5-lipoxygenase. Abstract: The syntheses, the biological evaluation, and the structure-activity relationships of a novel series of 1,8-dihydroxy-9(10H)-anthracenones bearing acyl-, alkyl-, or alkylidene-linked aromatic substituents in the 10-position are described. The phenylacyl and phenylalkylidene analogs were far more potent inhibitors of 5-lipoxygenase (... aid6883.table aid6883.tbin
6884 13 Title: Antipsoriatic anthrones with modulated redox properties. 1. Novel 10-substituted 1,8-dihydroxy-9(10H)-anthracenones as inhibitors of 5-lipoxygenase. Abstract: The syntheses, the biological evaluation, and the structure-activity relationships of a novel series of 1,8-dihydroxy-9(10H)-anthracenones bearing acyl-, alkyl-, or alkylidene-linked aromatic substituents in the 10-position are described. The phenylacyl and phenylalkylidene analogs were far more potent inhibitors of 5-lipoxygenase (... aid6884.table aid6884.tbin
6885 1 Title: Antipsoriatic anthrones with modulated redox properties. 1. Novel 10-substituted 1,8-dihydroxy-9(10H)-anthracenones as inhibitors of 5-lipoxygenase. Abstract: The syntheses, the biological evaluation, and the structure-activity relationships of a novel series of 1,8-dihydroxy-9(10H)-anthracenones bearing acyl-, alkyl-, or alkylidene-linked aromatic substituents in the 10-position are described. The phenylacyl and phenylalkylidene analogs were far more potent inhibitors of 5-lipoxygenase (... aid6885.table aid6885.tbin
6886 18 Title: (6,7-Diaryldihydropyrrolizin-5-yl)acetic acids, a novel class of potent dual inhibitors of both cyclooxygenase and 5-lipoxygenase. Abstract: A novel class of nonantioxidant dual inhibitors of both CO and 5-LO is described. The balance between the activity against CO and 5-LO can be shifted by modifying the substitution pattern of the phenyl moiety at the 6-position of the pyrrolizine ring. Structure-activity relationships are discussed. Compound 3e with a 4-Cl substituent (IC50 = 0.21 mic... aid6886.table aid6886.tbin
6887 27 Title: Antipsoriatic anthrones with modulated redox properties. 3. 10-thio-substituted 1,8-dihydroxy-9(10H)-anthracenones as inhibitors of keratinocyte growth, 5-lipoxygenase, and the formation of 12(S)-HETE in mouse epidermis. Abstract: The synthesis of a series of 1,8-dihydroxy-9(10H)-anthracenones bearing sulfur-linked substituents in the 10-position is described. These compounds were evaluated for their ability to inhibit the growth of the human keratinocyte cell line HaCaT and the 5- and 12... aid6887.table aid6887.tbin
6888 1 Title: Derivatives of 2-[[N-(Aminocarbonyl)-N-hydroxyamino]methyl]-1,4- benzodioxan as orally active 5-lipoxygenase inhibitors. Abstract: N-Hydroxyureas based on the 1,4-benzodioxan template were prepared from appropriately substituted 1,4-benzodioxan-2-methanols as the key intermediates and evaluated in the in vitro guinea pig polymorphonuclear leukocyte 5-lipoxygenase (5-LO) assay for their 5-LO inhibitory activity. Placement of a 7-phenoxy or 7-p-fluorophenoxy substituent resulted in a dramat... aid6888.table aid6888.tbin
6889 1 Title: Derivatives of 2-[[N-(Aminocarbonyl)-N-hydroxyamino]methyl]-1,4- benzodioxan as orally active 5-lipoxygenase inhibitors. Abstract: N-Hydroxyureas based on the 1,4-benzodioxan template were prepared from appropriately substituted 1,4-benzodioxan-2-methanols as the key intermediates and evaluated in the in vitro guinea pig polymorphonuclear leukocyte 5-lipoxygenase (5-LO) assay for their 5-LO inhibitory activity. Placement of a 7-phenoxy or 7-p-fluorophenoxy substituent resulted in a dramat... aid6889.table aid6889.tbin
6890 1 Title: Derivatives of 2-[[N-(Aminocarbonyl)-N-hydroxyamino]methyl]-1,4- benzodioxan as orally active 5-lipoxygenase inhibitors. Abstract: N-Hydroxyureas based on the 1,4-benzodioxan template were prepared from appropriately substituted 1,4-benzodioxan-2-methanols as the key intermediates and evaluated in the in vitro guinea pig polymorphonuclear leukocyte 5-lipoxygenase (5-LO) assay for their 5-LO inhibitory activity. Placement of a 7-phenoxy or 7-p-fluorophenoxy substituent resulted in a dramat... aid6890.table aid6890.tbin
6891 1 Title: Derivatives of 2-[[N-(Aminocarbonyl)-N-hydroxyamino]methyl]-1,4- benzodioxan as orally active 5-lipoxygenase inhibitors. Abstract: N-Hydroxyureas based on the 1,4-benzodioxan template were prepared from appropriately substituted 1,4-benzodioxan-2-methanols as the key intermediates and evaluated in the in vitro guinea pig polymorphonuclear leukocyte 5-lipoxygenase (5-LO) assay for their 5-LO inhibitory activity. Placement of a 7-phenoxy or 7-p-fluorophenoxy substituent resulted in a dramat... aid6891.table aid6891.tbin
6892 2 Title: Derivatives of 2-[[N-(Aminocarbonyl)-N-hydroxyamino]methyl]-1,4- benzodioxan as orally active 5-lipoxygenase inhibitors. Abstract: N-Hydroxyureas based on the 1,4-benzodioxan template were prepared from appropriately substituted 1,4-benzodioxan-2-methanols as the key intermediates and evaluated in the in vitro guinea pig polymorphonuclear leukocyte 5-lipoxygenase (5-LO) assay for their 5-LO inhibitory activity. Placement of a 7-phenoxy or 7-p-fluorophenoxy substituent resulted in a dramat... aid6892.table aid6892.tbin
6893 1 Title: Derivatives of 2-[[N-(Aminocarbonyl)-N-hydroxyamino]methyl]-1,4- benzodioxan as orally active 5-lipoxygenase inhibitors. Abstract: N-Hydroxyureas based on the 1,4-benzodioxan template were prepared from appropriately substituted 1,4-benzodioxan-2-methanols as the key intermediates and evaluated in the in vitro guinea pig polymorphonuclear leukocyte 5-lipoxygenase (5-LO) assay for their 5-LO inhibitory activity. Placement of a 7-phenoxy or 7-p-fluorophenoxy substituent resulted in a dramat... aid6893.table aid6893.tbin
6894 2 Title: Derivatives of 2-[[N-(Aminocarbonyl)-N-hydroxyamino]methyl]-1,4- benzodioxan as orally active 5-lipoxygenase inhibitors. Abstract: N-Hydroxyureas based on the 1,4-benzodioxan template were prepared from appropriately substituted 1,4-benzodioxan-2-methanols as the key intermediates and evaluated in the in vitro guinea pig polymorphonuclear leukocyte 5-lipoxygenase (5-LO) assay for their 5-LO inhibitory activity. Placement of a 7-phenoxy or 7-p-fluorophenoxy substituent resulted in a dramat... aid6894.table aid6894.tbin
6895 2 Title: Derivatives of 2-[[N-(Aminocarbonyl)-N-hydroxyamino]methyl]-1,4- benzodioxan as orally active 5-lipoxygenase inhibitors. Abstract: N-Hydroxyureas based on the 1,4-benzodioxan template were prepared from appropriately substituted 1,4-benzodioxan-2-methanols as the key intermediates and evaluated in the in vitro guinea pig polymorphonuclear leukocyte 5-lipoxygenase (5-LO) assay for their 5-LO inhibitory activity. Placement of a 7-phenoxy or 7-p-fluorophenoxy substituent resulted in a dramat... aid6895.table aid6895.tbin
6896 6 Title: Derivatives of 2-[[N-(Aminocarbonyl)-N-hydroxyamino]methyl]-1,4- benzodioxan as orally active 5-lipoxygenase inhibitors. Abstract: N-Hydroxyureas based on the 1,4-benzodioxan template were prepared from appropriately substituted 1,4-benzodioxan-2-methanols as the key intermediates and evaluated in the in vitro guinea pig polymorphonuclear leukocyte 5-lipoxygenase (5-LO) assay for their 5-LO inhibitory activity. Placement of a 7-phenoxy or 7-p-fluorophenoxy substituent resulted in a dramat... aid6896.table aid6896.tbin
6897 6 Title: Derivatives of 2-[[N-(Aminocarbonyl)-N-hydroxyamino]methyl]-1,4- benzodioxan as orally active 5-lipoxygenase inhibitors. Abstract: N-Hydroxyureas based on the 1,4-benzodioxan template were prepared from appropriately substituted 1,4-benzodioxan-2-methanols as the key intermediates and evaluated in the in vitro guinea pig polymorphonuclear leukocyte 5-lipoxygenase (5-LO) assay for their 5-LO inhibitory activity. Placement of a 7-phenoxy or 7-p-fluorophenoxy substituent resulted in a dramat... aid6897.table aid6897.tbin
6898 1 Title: Derivatives of 2-[[N-(Aminocarbonyl)-N-hydroxyamino]methyl]-1,4- benzodioxan as orally active 5-lipoxygenase inhibitors. Abstract: N-Hydroxyureas based on the 1,4-benzodioxan template were prepared from appropriately substituted 1,4-benzodioxan-2-methanols as the key intermediates and evaluated in the in vitro guinea pig polymorphonuclear leukocyte 5-lipoxygenase (5-LO) assay for their 5-LO inhibitory activity. Placement of a 7-phenoxy or 7-p-fluorophenoxy substituent resulted in a dramat... aid6898.table aid6898.tbin
6899 3 Title: Derivatives of 2-[[N-(Aminocarbonyl)-N-hydroxyamino]methyl]-1,4- benzodioxan as orally active 5-lipoxygenase inhibitors. Abstract: N-Hydroxyureas based on the 1,4-benzodioxan template were prepared from appropriately substituted 1,4-benzodioxan-2-methanols as the key intermediates and evaluated in the in vitro guinea pig polymorphonuclear leukocyte 5-lipoxygenase (5-LO) assay for their 5-LO inhibitory activity. Placement of a 7-phenoxy or 7-p-fluorophenoxy substituent resulted in a dramat... aid6899.table aid6899.tbin
6900 1 Title: Derivatives of 2-[[N-(Aminocarbonyl)-N-hydroxyamino]methyl]-1,4- benzodioxan as orally active 5-lipoxygenase inhibitors. Abstract: N-Hydroxyureas based on the 1,4-benzodioxan template were prepared from appropriately substituted 1,4-benzodioxan-2-methanols as the key intermediates and evaluated in the in vitro guinea pig polymorphonuclear leukocyte 5-lipoxygenase (5-LO) assay for their 5-LO inhibitory activity. Placement of a 7-phenoxy or 7-p-fluorophenoxy substituent resulted in a dramat... aid6900.table aid6900.tbin
6901 6 Title: Derivatives of 2-[[N-(Aminocarbonyl)-N-hydroxyamino]methyl]-1,4- benzodioxan as orally active 5-lipoxygenase inhibitors. Abstract: N-Hydroxyureas based on the 1,4-benzodioxan template were prepared from appropriately substituted 1,4-benzodioxan-2-methanols as the key intermediates and evaluated in the in vitro guinea pig polymorphonuclear leukocyte 5-lipoxygenase (5-LO) assay for their 5-LO inhibitory activity. Placement of a 7-phenoxy or 7-p-fluorophenoxy substituent resulted in a dramat... aid6901.table aid6901.tbin
6902 1 Title: Derivatives of 2-[[N-(Aminocarbonyl)-N-hydroxyamino]methyl]-1,4- benzodioxan as orally active 5-lipoxygenase inhibitors. Abstract: N-Hydroxyureas based on the 1,4-benzodioxan template were prepared from appropriately substituted 1,4-benzodioxan-2-methanols as the key intermediates and evaluated in the in vitro guinea pig polymorphonuclear leukocyte 5-lipoxygenase (5-LO) assay for their 5-LO inhibitory activity. Placement of a 7-phenoxy or 7-p-fluorophenoxy substituent resulted in a dramat... aid6902.table aid6902.tbin
6903 4 Title: Derivatives of 2-[[N-(Aminocarbonyl)-N-hydroxyamino]methyl]-1,4- benzodioxan as orally active 5-lipoxygenase inhibitors. Abstract: N-Hydroxyureas based on the 1,4-benzodioxan template were prepared from appropriately substituted 1,4-benzodioxan-2-methanols as the key intermediates and evaluated in the in vitro guinea pig polymorphonuclear leukocyte 5-lipoxygenase (5-LO) assay for their 5-LO inhibitory activity. Placement of a 7-phenoxy or 7-p-fluorophenoxy substituent resulted in a dramat... aid6903.table aid6903.tbin
6904 1 Title: Derivatives of 2-[[N-(Aminocarbonyl)-N-hydroxyamino]methyl]-1,4- benzodioxan as orally active 5-lipoxygenase inhibitors. Abstract: N-Hydroxyureas based on the 1,4-benzodioxan template were prepared from appropriately substituted 1,4-benzodioxan-2-methanols as the key intermediates and evaluated in the in vitro guinea pig polymorphonuclear leukocyte 5-lipoxygenase (5-LO) assay for their 5-LO inhibitory activity. Placement of a 7-phenoxy or 7-p-fluorophenoxy substituent resulted in a dramat... aid6904.table aid6904.tbin
6905 6 Title: Derivatives of 2-[[N-(Aminocarbonyl)-N-hydroxyamino]methyl]-1,4- benzodioxan as orally active 5-lipoxygenase inhibitors. Abstract: N-Hydroxyureas based on the 1,4-benzodioxan template were prepared from appropriately substituted 1,4-benzodioxan-2-methanols as the key intermediates and evaluated in the in vitro guinea pig polymorphonuclear leukocyte 5-lipoxygenase (5-LO) assay for their 5-LO inhibitory activity. Placement of a 7-phenoxy or 7-p-fluorophenoxy substituent resulted in a dramat... aid6905.table aid6905.tbin
6906 1 Title: Derivatives of 2-[[N-(Aminocarbonyl)-N-hydroxyamino]methyl]-1,4- benzodioxan as orally active 5-lipoxygenase inhibitors. Abstract: N-Hydroxyureas based on the 1,4-benzodioxan template were prepared from appropriately substituted 1,4-benzodioxan-2-methanols as the key intermediates and evaluated in the in vitro guinea pig polymorphonuclear leukocyte 5-lipoxygenase (5-LO) assay for their 5-LO inhibitory activity. Placement of a 7-phenoxy or 7-p-fluorophenoxy substituent resulted in a dramat... aid6906.table aid6906.tbin
6907 4 Title: Derivatives of 2-[[N-(Aminocarbonyl)-N-hydroxyamino]methyl]-1,4- benzodioxan as orally active 5-lipoxygenase inhibitors. Abstract: N-Hydroxyureas based on the 1,4-benzodioxan template were prepared from appropriately substituted 1,4-benzodioxan-2-methanols as the key intermediates and evaluated in the in vitro guinea pig polymorphonuclear leukocyte 5-lipoxygenase (5-LO) assay for their 5-LO inhibitory activity. Placement of a 7-phenoxy or 7-p-fluorophenoxy substituent resulted in a dramat... aid6907.table aid6907.tbin
6908 1 Title: Derivatives of 2-[[N-(Aminocarbonyl)-N-hydroxyamino]methyl]-1,4- benzodioxan as orally active 5-lipoxygenase inhibitors. Abstract: N-Hydroxyureas based on the 1,4-benzodioxan template were prepared from appropriately substituted 1,4-benzodioxan-2-methanols as the key intermediates and evaluated in the in vitro guinea pig polymorphonuclear leukocyte 5-lipoxygenase (5-LO) assay for their 5-LO inhibitory activity. Placement of a 7-phenoxy or 7-p-fluorophenoxy substituent resulted in a dramat... aid6908.table aid6908.tbin
6909 4 Title: Derivatives of 2-[[N-(Aminocarbonyl)-N-hydroxyamino]methyl]-1,4- benzodioxan as orally active 5-lipoxygenase inhibitors. Abstract: N-Hydroxyureas based on the 1,4-benzodioxan template were prepared from appropriately substituted 1,4-benzodioxan-2-methanols as the key intermediates and evaluated in the in vitro guinea pig polymorphonuclear leukocyte 5-lipoxygenase (5-LO) assay for their 5-LO inhibitory activity. Placement of a 7-phenoxy or 7-p-fluorophenoxy substituent resulted in a dramat... aid6909.table aid6909.tbin
6910 1 Title: Derivatives of 2-[[N-(Aminocarbonyl)-N-hydroxyamino]methyl]-1,4- benzodioxan as orally active 5-lipoxygenase inhibitors. Abstract: N-Hydroxyureas based on the 1,4-benzodioxan template were prepared from appropriately substituted 1,4-benzodioxan-2-methanols as the key intermediates and evaluated in the in vitro guinea pig polymorphonuclear leukocyte 5-lipoxygenase (5-LO) assay for their 5-LO inhibitory activity. Placement of a 7-phenoxy or 7-p-fluorophenoxy substituent resulted in a dramat... aid6910.table aid6910.tbin
6911 4 Title: Derivatives of 2-[[N-(Aminocarbonyl)-N-hydroxyamino]methyl]-1,4- benzodioxan as orally active 5-lipoxygenase inhibitors. Abstract: N-Hydroxyureas based on the 1,4-benzodioxan template were prepared from appropriately substituted 1,4-benzodioxan-2-methanols as the key intermediates and evaluated in the in vitro guinea pig polymorphonuclear leukocyte 5-lipoxygenase (5-LO) assay for their 5-LO inhibitory activity. Placement of a 7-phenoxy or 7-p-fluorophenoxy substituent resulted in a dramat... aid6911.table aid6911.tbin
6912 1 Title: Derivatives of 2-[[N-(Aminocarbonyl)-N-hydroxyamino]methyl]-1,4- benzodioxan as orally active 5-lipoxygenase inhibitors. Abstract: N-Hydroxyureas based on the 1,4-benzodioxan template were prepared from appropriately substituted 1,4-benzodioxan-2-methanols as the key intermediates and evaluated in the in vitro guinea pig polymorphonuclear leukocyte 5-lipoxygenase (5-LO) assay for their 5-LO inhibitory activity. Placement of a 7-phenoxy or 7-p-fluorophenoxy substituent resulted in a dramat... aid6912.table aid6912.tbin
6913 6 Title: Derivatives of 2-[[N-(Aminocarbonyl)-N-hydroxyamino]methyl]-1,4- benzodioxan as orally active 5-lipoxygenase inhibitors. Abstract: N-Hydroxyureas based on the 1,4-benzodioxan template were prepared from appropriately substituted 1,4-benzodioxan-2-methanols as the key intermediates and evaluated in the in vitro guinea pig polymorphonuclear leukocyte 5-lipoxygenase (5-LO) assay for their 5-LO inhibitory activity. Placement of a 7-phenoxy or 7-p-fluorophenoxy substituent resulted in a dramat... aid6913.table aid6913.tbin
6914 1 Title: Derivatives of 2-[[N-(Aminocarbonyl)-N-hydroxyamino]methyl]-1,4- benzodioxan as orally active 5-lipoxygenase inhibitors. Abstract: N-Hydroxyureas based on the 1,4-benzodioxan template were prepared from appropriately substituted 1,4-benzodioxan-2-methanols as the key intermediates and evaluated in the in vitro guinea pig polymorphonuclear leukocyte 5-lipoxygenase (5-LO) assay for their 5-LO inhibitory activity. Placement of a 7-phenoxy or 7-p-fluorophenoxy substituent resulted in a dramat... aid6914.table aid6914.tbin
6915 4 Title: Derivatives of 2-[[N-(Aminocarbonyl)-N-hydroxyamino]methyl]-1,4- benzodioxan as orally active 5-lipoxygenase inhibitors. Abstract: N-Hydroxyureas based on the 1,4-benzodioxan template were prepared from appropriately substituted 1,4-benzodioxan-2-methanols as the key intermediates and evaluated in the in vitro guinea pig polymorphonuclear leukocyte 5-lipoxygenase (5-LO) assay for their 5-LO inhibitory activity. Placement of a 7-phenoxy or 7-p-fluorophenoxy substituent resulted in a dramat... aid6915.table aid6915.tbin
6916 1 Title: Derivatives of 2-[[N-(Aminocarbonyl)-N-hydroxyamino]methyl]-1,4- benzodioxan as orally active 5-lipoxygenase inhibitors. Abstract: N-Hydroxyureas based on the 1,4-benzodioxan template were prepared from appropriately substituted 1,4-benzodioxan-2-methanols as the key intermediates and evaluated in the in vitro guinea pig polymorphonuclear leukocyte 5-lipoxygenase (5-LO) assay for their 5-LO inhibitory activity. Placement of a 7-phenoxy or 7-p-fluorophenoxy substituent resulted in a dramat... aid6916.table aid6916.tbin
6917 5 Title: Derivatives of 2-[[N-(Aminocarbonyl)-N-hydroxyamino]methyl]-1,4- benzodioxan as orally active 5-lipoxygenase inhibitors. Abstract: N-Hydroxyureas based on the 1,4-benzodioxan template were prepared from appropriately substituted 1,4-benzodioxan-2-methanols as the key intermediates and evaluated in the in vitro guinea pig polymorphonuclear leukocyte 5-lipoxygenase (5-LO) assay for their 5-LO inhibitory activity. Placement of a 7-phenoxy or 7-p-fluorophenoxy substituent resulted in a dramat... aid6917.table aid6917.tbin
6918 1 Title: Derivatives of 2-[[N-(Aminocarbonyl)-N-hydroxyamino]methyl]-1,4- benzodioxan as orally active 5-lipoxygenase inhibitors. Abstract: N-Hydroxyureas based on the 1,4-benzodioxan template were prepared from appropriately substituted 1,4-benzodioxan-2-methanols as the key intermediates and evaluated in the in vitro guinea pig polymorphonuclear leukocyte 5-lipoxygenase (5-LO) assay for their 5-LO inhibitory activity. Placement of a 7-phenoxy or 7-p-fluorophenoxy substituent resulted in a dramat... aid6918.table aid6918.tbin
6919 4 Title: Derivatives of 2-[[N-(Aminocarbonyl)-N-hydroxyamino]methyl]-1,4- benzodioxan as orally active 5-lipoxygenase inhibitors. Abstract: N-Hydroxyureas based on the 1,4-benzodioxan template were prepared from appropriately substituted 1,4-benzodioxan-2-methanols as the key intermediates and evaluated in the in vitro guinea pig polymorphonuclear leukocyte 5-lipoxygenase (5-LO) assay for their 5-LO inhibitory activity. Placement of a 7-phenoxy or 7-p-fluorophenoxy substituent resulted in a dramat... aid6919.table aid6919.tbin
6920 1 Title: Derivatives of 2-[[N-(Aminocarbonyl)-N-hydroxyamino]methyl]-1,4- benzodioxan as orally active 5-lipoxygenase inhibitors. Abstract: N-Hydroxyureas based on the 1,4-benzodioxan template were prepared from appropriately substituted 1,4-benzodioxan-2-methanols as the key intermediates and evaluated in the in vitro guinea pig polymorphonuclear leukocyte 5-lipoxygenase (5-LO) assay for their 5-LO inhibitory activity. Placement of a 7-phenoxy or 7-p-fluorophenoxy substituent resulted in a dramat... aid6920.table aid6920.tbin
6921 4 Title: Derivatives of 2-[[N-(Aminocarbonyl)-N-hydroxyamino]methyl]-1,4- benzodioxan as orally active 5-lipoxygenase inhibitors. Abstract: N-Hydroxyureas based on the 1,4-benzodioxan template were prepared from appropriately substituted 1,4-benzodioxan-2-methanols as the key intermediates and evaluated in the in vitro guinea pig polymorphonuclear leukocyte 5-lipoxygenase (5-LO) assay for their 5-LO inhibitory activity. Placement of a 7-phenoxy or 7-p-fluorophenoxy substituent resulted in a dramat... aid6921.table aid6921.tbin
6922 1 Title: Derivatives of 2-[[N-(Aminocarbonyl)-N-hydroxyamino]methyl]-1,4- benzodioxan as orally active 5-lipoxygenase inhibitors. Abstract: N-Hydroxyureas based on the 1,4-benzodioxan template were prepared from appropriately substituted 1,4-benzodioxan-2-methanols as the key intermediates and evaluated in the in vitro guinea pig polymorphonuclear leukocyte 5-lipoxygenase (5-LO) assay for their 5-LO inhibitory activity. Placement of a 7-phenoxy or 7-p-fluorophenoxy substituent resulted in a dramat... aid6922.table aid6922.tbin
6923 3 Title: Derivatives of 2-[[N-(Aminocarbonyl)-N-hydroxyamino]methyl]-1,4- benzodioxan as orally active 5-lipoxygenase inhibitors. Abstract: N-Hydroxyureas based on the 1,4-benzodioxan template were prepared from appropriately substituted 1,4-benzodioxan-2-methanols as the key intermediates and evaluated in the in vitro guinea pig polymorphonuclear leukocyte 5-lipoxygenase (5-LO) assay for their 5-LO inhibitory activity. Placement of a 7-phenoxy or 7-p-fluorophenoxy substituent resulted in a dramat... aid6923.table aid6923.tbin
6924 1 Title: Derivatives of 2-[[N-(Aminocarbonyl)-N-hydroxyamino]methyl]-1,4- benzodioxan as orally active 5-lipoxygenase inhibitors. Abstract: N-Hydroxyureas based on the 1,4-benzodioxan template were prepared from appropriately substituted 1,4-benzodioxan-2-methanols as the key intermediates and evaluated in the in vitro guinea pig polymorphonuclear leukocyte 5-lipoxygenase (5-LO) assay for their 5-LO inhibitory activity. Placement of a 7-phenoxy or 7-p-fluorophenoxy substituent resulted in a dramat... aid6924.table aid6924.tbin
6925 1 Title: Derivatives of 2-[[N-(Aminocarbonyl)-N-hydroxyamino]methyl]-1,4- benzodioxan as orally active 5-lipoxygenase inhibitors. Abstract: N-Hydroxyureas based on the 1,4-benzodioxan template were prepared from appropriately substituted 1,4-benzodioxan-2-methanols as the key intermediates and evaluated in the in vitro guinea pig polymorphonuclear leukocyte 5-lipoxygenase (5-LO) assay for their 5-LO inhibitory activity. Placement of a 7-phenoxy or 7-p-fluorophenoxy substituent resulted in a dramat... aid6925.table aid6925.tbin
6926 1 Title: Derivatives of 2-[[N-(Aminocarbonyl)-N-hydroxyamino]methyl]-1,4- benzodioxan as orally active 5-lipoxygenase inhibitors. Abstract: N-Hydroxyureas based on the 1,4-benzodioxan template were prepared from appropriately substituted 1,4-benzodioxan-2-methanols as the key intermediates and evaluated in the in vitro guinea pig polymorphonuclear leukocyte 5-lipoxygenase (5-LO) assay for their 5-LO inhibitory activity. Placement of a 7-phenoxy or 7-p-fluorophenoxy substituent resulted in a dramat... aid6926.table aid6926.tbin
6927 1 Title: Derivatives of 2-[[N-(Aminocarbonyl)-N-hydroxyamino]methyl]-1,4- benzodioxan as orally active 5-lipoxygenase inhibitors. Abstract: N-Hydroxyureas based on the 1,4-benzodioxan template were prepared from appropriately substituted 1,4-benzodioxan-2-methanols as the key intermediates and evaluated in the in vitro guinea pig polymorphonuclear leukocyte 5-lipoxygenase (5-LO) assay for their 5-LO inhibitory activity. Placement of a 7-phenoxy or 7-p-fluorophenoxy substituent resulted in a dramat... aid6927.table aid6927.tbin
6928 1 Title: Derivatives of 2-[[N-(Aminocarbonyl)-N-hydroxyamino]methyl]-1,4- benzodioxan as orally active 5-lipoxygenase inhibitors. Abstract: N-Hydroxyureas based on the 1,4-benzodioxan template were prepared from appropriately substituted 1,4-benzodioxan-2-methanols as the key intermediates and evaluated in the in vitro guinea pig polymorphonuclear leukocyte 5-lipoxygenase (5-LO) assay for their 5-LO inhibitory activity. Placement of a 7-phenoxy or 7-p-fluorophenoxy substituent resulted in a dramat... aid6928.table aid6928.tbin
6929 1 Title: Derivatives of 2-[[N-(Aminocarbonyl)-N-hydroxyamino]methyl]-1,4- benzodioxan as orally active 5-lipoxygenase inhibitors. Abstract: N-Hydroxyureas based on the 1,4-benzodioxan template were prepared from appropriately substituted 1,4-benzodioxan-2-methanols as the key intermediates and evaluated in the in vitro guinea pig polymorphonuclear leukocyte 5-lipoxygenase (5-LO) assay for their 5-LO inhibitory activity. Placement of a 7-phenoxy or 7-p-fluorophenoxy substituent resulted in a dramat... aid6929.table aid6929.tbin
6930 1 Title: Derivatives of 2-[[N-(Aminocarbonyl)-N-hydroxyamino]methyl]-1,4- benzodioxan as orally active 5-lipoxygenase inhibitors. Abstract: N-Hydroxyureas based on the 1,4-benzodioxan template were prepared from appropriately substituted 1,4-benzodioxan-2-methanols as the key intermediates and evaluated in the in vitro guinea pig polymorphonuclear leukocyte 5-lipoxygenase (5-LO) assay for their 5-LO inhibitory activity. Placement of a 7-phenoxy or 7-p-fluorophenoxy substituent resulted in a dramat... aid6930.table aid6930.tbin
6931 1 Title: Derivatives of 2-[[N-(Aminocarbonyl)-N-hydroxyamino]methyl]-1,4- benzodioxan as orally active 5-lipoxygenase inhibitors. Abstract: N-Hydroxyureas based on the 1,4-benzodioxan template were prepared from appropriately substituted 1,4-benzodioxan-2-methanols as the key intermediates and evaluated in the in vitro guinea pig polymorphonuclear leukocyte 5-lipoxygenase (5-LO) assay for their 5-LO inhibitory activity. Placement of a 7-phenoxy or 7-p-fluorophenoxy substituent resulted in a dramat... aid6931.table aid6931.tbin
6932 1 Title: Derivatives of 2-[[N-(Aminocarbonyl)-N-hydroxyamino]methyl]-1,4- benzodioxan as orally active 5-lipoxygenase inhibitors. Abstract: N-Hydroxyureas based on the 1,4-benzodioxan template were prepared from appropriately substituted 1,4-benzodioxan-2-methanols as the key intermediates and evaluated in the in vitro guinea pig polymorphonuclear leukocyte 5-lipoxygenase (5-LO) assay for their 5-LO inhibitory activity. Placement of a 7-phenoxy or 7-p-fluorophenoxy substituent resulted in a dramat... aid6932.table aid6932.tbin
6933 1 Title: Derivatives of 2-[[N-(Aminocarbonyl)-N-hydroxyamino]methyl]-1,4- benzodioxan as orally active 5-lipoxygenase inhibitors. Abstract: N-Hydroxyureas based on the 1,4-benzodioxan template were prepared from appropriately substituted 1,4-benzodioxan-2-methanols as the key intermediates and evaluated in the in vitro guinea pig polymorphonuclear leukocyte 5-lipoxygenase (5-LO) assay for their 5-LO inhibitory activity. Placement of a 7-phenoxy or 7-p-fluorophenoxy substituent resulted in a dramat... aid6933.table aid6933.tbin
6934 1 Title: N-hydroxyurea and hydroxamic acid inhibitors of cyclooxygenase and 5-lipoxygenase. Abstract: Two series of compounds (1 and 2) having structural features of the dual COX/5-LO inhibitor tepoxalin and the 5-LO inhibitor ABT-761 were prepared. Many of these hybrid compounds are potent COX and 5-LO inhibitors; two compounds (1a and 2t) inhibit eicosanoid biosynthesis in an ex vivo assay. aid6934.table aid6934.tbin
6935 1 Title: N-hydroxyurea and hydroxamic acid inhibitors of cyclooxygenase and 5-lipoxygenase. Abstract: Two series of compounds (1 and 2) having structural features of the dual COX/5-LO inhibitor tepoxalin and the 5-LO inhibitor ABT-761 were prepared. Many of these hybrid compounds are potent COX and 5-LO inhibitors; two compounds (1a and 2t) inhibit eicosanoid biosynthesis in an ex vivo assay. aid6935.table aid6935.tbin
6936 1 Title: N-hydroxyurea and hydroxamic acid inhibitors of cyclooxygenase and 5-lipoxygenase. Abstract: Two series of compounds (1 and 2) having structural features of the dual COX/5-LO inhibitor tepoxalin and the 5-LO inhibitor ABT-761 were prepared. Many of these hybrid compounds are potent COX and 5-LO inhibitors; two compounds (1a and 2t) inhibit eicosanoid biosynthesis in an ex vivo assay. aid6936.table aid6936.tbin
6937 1 Title: N-hydroxyurea and hydroxamic acid inhibitors of cyclooxygenase and 5-lipoxygenase. Abstract: Two series of compounds (1 and 2) having structural features of the dual COX/5-LO inhibitor tepoxalin and the 5-LO inhibitor ABT-761 were prepared. Many of these hybrid compounds are potent COX and 5-LO inhibitors; two compounds (1a and 2t) inhibit eicosanoid biosynthesis in an ex vivo assay. aid6937.table aid6937.tbin
6938 1 Title: N-hydroxyurea and hydroxamic acid inhibitors of cyclooxygenase and 5-lipoxygenase. Abstract: Two series of compounds (1 and 2) having structural features of the dual COX/5-LO inhibitor tepoxalin and the 5-LO inhibitor ABT-761 were prepared. Many of these hybrid compounds are potent COX and 5-LO inhibitors; two compounds (1a and 2t) inhibit eicosanoid biosynthesis in an ex vivo assay. aid6938.table aid6938.tbin
6939 1 Title: N-hydroxyurea and hydroxamic acid inhibitors of cyclooxygenase and 5-lipoxygenase. Abstract: Two series of compounds (1 and 2) having structural features of the dual COX/5-LO inhibitor tepoxalin and the 5-LO inhibitor ABT-761 were prepared. Many of these hybrid compounds are potent COX and 5-LO inhibitors; two compounds (1a and 2t) inhibit eicosanoid biosynthesis in an ex vivo assay. aid6939.table aid6939.tbin
6940 1 Title: N-hydroxyurea and hydroxamic acid inhibitors of cyclooxygenase and 5-lipoxygenase. Abstract: Two series of compounds (1 and 2) having structural features of the dual COX/5-LO inhibitor tepoxalin and the 5-LO inhibitor ABT-761 were prepared. Many of these hybrid compounds are potent COX and 5-LO inhibitors; two compounds (1a and 2t) inhibit eicosanoid biosynthesis in an ex vivo assay. aid6940.table aid6940.tbin
6941 1 Title: N-hydroxyurea and hydroxamic acid inhibitors of cyclooxygenase and 5-lipoxygenase. Abstract: Two series of compounds (1 and 2) having structural features of the dual COX/5-LO inhibitor tepoxalin and the 5-LO inhibitor ABT-761 were prepared. Many of these hybrid compounds are potent COX and 5-LO inhibitors; two compounds (1a and 2t) inhibit eicosanoid biosynthesis in an ex vivo assay. aid6941.table aid6941.tbin
6942 4 Title: Phenylephrine derivatives as leukotriene D4 antagonists. Abstract: Two series of phenylephrine derivatives were prepared and tested as inhibitors of leukotriene D4 (LTD4) induced and ovalbumin-induced bronchospasm in the guinea pig. The most potent compound of the urea series, (R)-N,N-diethyl-N-[2-hydroxy-2-[3-(2-quinolinylmethoxy)phenyl]ethyl]-N- methylurea (3, Wy-47,120), was orally active with ED50's of 56 mg/kg vs. LTD4 and 55 mg/kg vs. ovalbumin. When tested as an antagonist of LTD4-... aid6942.table aid6942.tbin
6943 12 Inhibition of [14C]arachidonic acid conversion to 5-HETE by broken cell 5-lipoxygenase in vitro (guinea pig PMN) aid6943.table aid6943.tbin
6944 7 Title: (Methoxyalkyl)thiazoles: a new series of potent, selective, and orally active 5-lipoxygenase inhibitors displaying high enantioselectivity. Abstract: (Methoxyalkyl)thiazoles are novel 5-lipoxygenase (5-LPO) inhibitors that are neither redox agents nor iron chelators. Consideration of a hypothetical model of the enzyme active site led to this series which is exemplified by 1-[3-(naphth-2-ylmethoxy)phenyl]-1-(thiazol-2-yl)propy l methyl ether (2d, ICI211965). 2d inhibits cell-free guinea pi... aid6944.table aid6944.tbin
6945 1 Title: Derivatives of 2-[[N-(Aminocarbonyl)-N-hydroxyamino]methyl]-1,4- benzodioxan as orally active 5-lipoxygenase inhibitors. Abstract: N-Hydroxyureas based on the 1,4-benzodioxan template were prepared from appropriately substituted 1,4-benzodioxan-2-methanols as the key intermediates and evaluated in the in vitro guinea pig polymorphonuclear leukocyte 5-lipoxygenase (5-LO) assay for their 5-LO inhibitory activity. Placement of a 7-phenoxy or 7-p-fluorophenoxy substituent resulted in a dramat... aid6945.table aid6945.tbin
6946 7 In vitro 5-lipoxygenase inhibition in guinea pig PMNs was determined based on 5-hydroxyeicosapentaenoic acid (5-HETE) production aid6946.table aid6946.tbin
6947 7 In vitro 5-lipoxygenase inhibition in guinea pig PMNs was determined based on LTB4 production aid6947.table aid6947.tbin
6948 11 Title: Derivatives of 2-[[N-(Aminocarbonyl)-N-hydroxyamino]methyl]-1,4- benzodioxan as orally active 5-lipoxygenase inhibitors. Abstract: N-Hydroxyureas based on the 1,4-benzodioxan template were prepared from appropriately substituted 1,4-benzodioxan-2-methanols as the key intermediates and evaluated in the in vitro guinea pig polymorphonuclear leukocyte 5-lipoxygenase (5-LO) assay for their 5-LO inhibitory activity. Placement of a 7-phenoxy or 7-p-fluorophenoxy substituent resulted in a dramat... aid6948.table aid6948.tbin
6949 11 Title: Derivatives of 2-[[N-(Aminocarbonyl)-N-hydroxyamino]methyl]-1,4- benzodioxan as orally active 5-lipoxygenase inhibitors. Abstract: N-Hydroxyureas based on the 1,4-benzodioxan template were prepared from appropriately substituted 1,4-benzodioxan-2-methanols as the key intermediates and evaluated in the in vitro guinea pig polymorphonuclear leukocyte 5-lipoxygenase (5-LO) assay for their 5-LO inhibitory activity. Placement of a 7-phenoxy or 7-p-fluorophenoxy substituent resulted in a dramat... aid6949.table aid6949.tbin
6950 1 Title: Derivatives of 2-[[N-(Aminocarbonyl)-N-hydroxyamino]methyl]-1,4- benzodioxan as orally active 5-lipoxygenase inhibitors. Abstract: N-Hydroxyureas based on the 1,4-benzodioxan template were prepared from appropriately substituted 1,4-benzodioxan-2-methanols as the key intermediates and evaluated in the in vitro guinea pig polymorphonuclear leukocyte 5-lipoxygenase (5-LO) assay for their 5-LO inhibitory activity. Placement of a 7-phenoxy or 7-p-fluorophenoxy substituent resulted in a dramat... aid6950.table aid6950.tbin
6951 2 Title: Development of a novel series of (2-quinolinylmethoxy)phenyl-containing compounds as high-affinity leukotriene receptor antagonists. 1. Initial structure-activity relationships. Abstract: This series of reports describes the development of orally active, highly potent, specific antagonists of the peptidoleukotrienes containing a (2-quinolinylmethoxy)phenyl moiety. Described in this first report are the structure-activity relationships that led to a more than a 20-fold improvement of the p... aid6951.table aid6951.tbin
6952 10 Title: Synthesis and 5-lipoxygenase inhibitory activities of eicosanoid compounds. Abstract: Ten eicosanoid compounds (3, 6, 9, 11, 12, 15, 18, 21, 23, and 25), methyl (6E,8Z,11Z,14Z)-5-hydroxy-6,8,11,14-eicosatetraenoate (5-HETE, 10), leukotriene A4 (26), and (5S,6E,8E,10E,12RS,14E)-5,12-dihydroxy-6,8,10,14-eicosatetraenoic acid (5,12-diHETE, 27) were prepared and their inhibitory activities against the 5-lipoxygenase from guinea pig polymorphonuclear leukocytes (PMNL) were tested. 5,6-Methanol... aid6952.table aid6952.tbin
6953 3 Title: Acrylamide derivatives as antiallergic agents. 2. Synthesis and structure-activity relationships of N-[4-[4-(diphenylmethyl)-1-piperazinyl]butyl]-3-(3-pyridyl)acryl amides. Abstract: A new series of 3-(3-pyridyl)acrylamides 16, 17, 19, and 26, and 5-(3-pyridyl)-2,4-pentadienamides 20-25 were prepared and evaluated for their antiallergic activity. Several of these compounds exhibited more potent inhibitory activities than the parent compound 1a [(E)-N-[4-[4-(diphenylmethyl)-1-piperazinyl]b... aid6953.table aid6953.tbin
6954 5 Title: Differential effects of a series of hydroxamic acid derivatives on 5-lipoxygenase and cyclooxygenase from neutrophils and 12-lipoxygenase from platelets and their in vivo effects on inflammation and anaphylaxis. Abstract: The synthesis of a series of novel substituted hydroxamates has been described along with their profile of inhibitory activity against 5-lipoxygenase, 12-lipoxygenase, and cyclooxygenase enzymes. The structure--activity relationship suggests that future molecules could b... aid6954.table aid6954.tbin
6955 3 Title: Synthesis, structure-activity relationships, and pharmacological evaluation of pyrrolo[3,2,1-ij]quinoline derivatives: potent histamine and platelet activating factor antagonism and 5-lipoxygenase inhibitory properties. Potential therapeutic application in asthma. Abstract: A series of pyrrolo[3,2,1-ij]quinoline derivatives was synthesized and evaluated for their in vitro and in vivo activities against histamine, platelet activating factor (PAF), and leukotrienes which are recognized to b... aid6955.table aid6955.tbin
6956 1 Title: Synthesis, structure-activity relationships, and pharmacological evaluation of pyrrolo[3,2,1-ij]quinoline derivatives: potent histamine and platelet activating factor antagonism and 5-lipoxygenase inhibitory properties. Potential therapeutic application in asthma. Abstract: A series of pyrrolo[3,2,1-ij]quinoline derivatives was synthesized and evaluated for their in vitro and in vivo activities against histamine, platelet activating factor (PAF), and leukotrienes which are recognized to b... aid6956.table aid6956.tbin
6957 2 Inhibitory activity against 5-lipoxygenase in guinea pig leukocytes was determined aid6957.table aid6957.tbin
6958 9 Title: Acrylamide derivatives as antiallergic agents. 2. Synthesis and structure-activity relationships of N-[4-[4-(diphenylmethyl)-1-piperazinyl]butyl]-3-(3-pyridyl)acryl amides. Abstract: A new series of 3-(3-pyridyl)acrylamides 16, 17, 19, and 26, and 5-(3-pyridyl)-2,4-pentadienamides 20-25 were prepared and evaluated for their antiallergic activity. Several of these compounds exhibited more potent inhibitory activities than the parent compound 1a [(E)-N-[4-[4-(diphenylmethyl)-1-piperazinyl]b... aid6958.table aid6958.tbin
6959 6 Title: Synthesis and 5-lipoxygenase inhibitory activities of eicosanoid compounds. Abstract: Ten eicosanoid compounds (3, 6, 9, 11, 12, 15, 18, 21, 23, and 25), methyl (6E,8Z,11Z,14Z)-5-hydroxy-6,8,11,14-eicosatetraenoate (5-HETE, 10), leukotriene A4 (26), and (5S,6E,8E,10E,12RS,14E)-5,12-dihydroxy-6,8,10,14-eicosatetraenoic acid (5,12-diHETE, 27) were prepared and their inhibitory activities against the 5-lipoxygenase from guinea pig polymorphonuclear leukocytes (PMNL) were tested. 5,6-Methanol... aid6959.table aid6959.tbin
6960 1 Title: Acrylamide derivatives as antiallergic agents. 2. Synthesis and structure-activity relationships of N-[4-[4-(diphenylmethyl)-1-piperazinyl]butyl]-3-(3-pyridyl)acryl amides. Abstract: A new series of 3-(3-pyridyl)acrylamides 16, 17, 19, and 26, and 5-(3-pyridyl)-2,4-pentadienamides 20-25 were prepared and evaluated for their antiallergic activity. Several of these compounds exhibited more potent inhibitory activities than the parent compound 1a [(E)-N-[4-[4-(diphenylmethyl)-1-piperazinyl]b... aid6960.table aid6960.tbin
6961 1 Title: Differential effects of a series of hydroxamic acid derivatives on 5-lipoxygenase and cyclooxygenase from neutrophils and 12-lipoxygenase from platelets and their in vivo effects on inflammation and anaphylaxis. Abstract: The synthesis of a series of novel substituted hydroxamates has been described along with their profile of inhibitory activity against 5-lipoxygenase, 12-lipoxygenase, and cyclooxygenase enzymes. The structure--activity relationship suggests that future molecules could b... aid6961.table aid6961.tbin
6962 1 Title: Synthesis, structure-activity relationships, and pharmacological evaluation of pyrrolo[3,2,1-ij]quinoline derivatives: potent histamine and platelet activating factor antagonism and 5-lipoxygenase inhibitory properties. Potential therapeutic application in asthma. Abstract: A series of pyrrolo[3,2,1-ij]quinoline derivatives was synthesized and evaluated for their in vitro and in vivo activities against histamine, platelet activating factor (PAF), and leukotrienes which are recognized to b... aid6962.table aid6962.tbin
6963 1 Title: Synthesis, structure-activity relationships, and pharmacological evaluation of pyrrolo[3,2,1-ij]quinoline derivatives: potent histamine and platelet activating factor antagonism and 5-lipoxygenase inhibitory properties. Potential therapeutic application in asthma. Abstract: A series of pyrrolo[3,2,1-ij]quinoline derivatives was synthesized and evaluated for their in vitro and in vivo activities against histamine, platelet activating factor (PAF), and leukotrienes which are recognized to b... aid6963.table aid6963.tbin
6964 15 Title: Synthesis, structure-activity relationships, and pharmacological evaluation of pyrrolo[3,2,1-ij]quinoline derivatives: potent histamine and platelet activating factor antagonism and 5-lipoxygenase inhibitory properties. Potential therapeutic application in asthma. Abstract: A series of pyrrolo[3,2,1-ij]quinoline derivatives was synthesized and evaluated for their in vitro and in vivo activities against histamine, platelet activating factor (PAF), and leukotrienes which are recognized to b... aid6964.table aid6964.tbin
6965 1 Title: Synthesis, structure-activity relationships, and pharmacological evaluation of pyrrolo[3,2,1-ij]quinoline derivatives: potent histamine and platelet activating factor antagonism and 5-lipoxygenase inhibitory properties. Potential therapeutic application in asthma. Abstract: A series of pyrrolo[3,2,1-ij]quinoline derivatives was synthesized and evaluated for their in vitro and in vivo activities against histamine, platelet activating factor (PAF), and leukotrienes which are recognized to b... aid6965.table aid6965.tbin
6966 1 Title: Development of a novel series of (2-quinolinylmethoxy)phenyl-containing compounds as high-affinity leukotriene receptor antagonists. 1. Initial structure-activity relationships. Abstract: This series of reports describes the development of orally active, highly potent, specific antagonists of the peptidoleukotrienes containing a (2-quinolinylmethoxy)phenyl moiety. Described in this first report are the structure-activity relationships that led to a more than a 20-fold improvement of the p... aid6966.table aid6966.tbin
6967 4 Title: Synthesis and 5-lipoxygenase inhibitory activities of eicosanoid compounds. Abstract: Ten eicosanoid compounds (3, 6, 9, 11, 12, 15, 18, 21, 23, and 25), methyl (6E,8Z,11Z,14Z)-5-hydroxy-6,8,11,14-eicosatetraenoate (5-HETE, 10), leukotriene A4 (26), and (5S,6E,8E,10E,12RS,14E)-5,12-dihydroxy-6,8,10,14-eicosatetraenoic acid (5,12-diHETE, 27) were prepared and their inhibitory activities against the 5-lipoxygenase from guinea pig polymorphonuclear leukocytes (PMNL) were tested. 5,6-Methanol... aid6967.table aid6967.tbin
6968 12 Title: Studies on hindered phenols and analogues. 2. 1,3-Benzoxathioles having SRS-A inhibiting activity. Abstract: A series of hindered phenolic 1,3-benzoxathioles (7a-l) were prepared and investigated for biological properties. Many compounds had LPO-lowering, antisuperoxide inhibiting, SRS-A inhibiting, and 5-lipoxygenase inhibiting activities. Among them, 5-hydroxy-4,6,7-trimethyl-2-propyl-1,3-benzoxathiole (7d) and 3-(5-hydroxy-4,6,7-trimethyl-1,3-benzoxathiol-2-yl)propanol (7j) were most p... aid6968.table aid6968.tbin
6969 1 Title: (R)-(+)-N-[3-[5-[(4-fluorophenyl)methyl]-2-thienyl]-1-methyl- 2-propynyl]-N-hydroxyurea (ABT-761), a second-generation 5-lipoxygenase inhibitor. Abstract: Structure-activity optimization of inhibitory potency and duration of action of N-hydroxyurea containing 5-lipoxygenase inhibitors was conducted. The lipophilic heteroaryl template and the link group connecting the template to the N-hydroxyurea pharmacophore were modified. Inhibition of 5-lipoxygenase was evaluated in vitro in a human w... aid6969.table aid6969.tbin
6970 9 Title: (R)-(+)-N-[3-[5-[(4-fluorophenyl)methyl]-2-thienyl]-1-methyl- 2-propynyl]-N-hydroxyurea (ABT-761), a second-generation 5-lipoxygenase inhibitor. Abstract: Structure-activity optimization of inhibitory potency and duration of action of N-hydroxyurea containing 5-lipoxygenase inhibitors was conducted. The lipophilic heteroaryl template and the link group connecting the template to the N-hydroxyurea pharmacophore were modified. Inhibition of 5-lipoxygenase was evaluated in vitro in a human w... aid6970.table aid6970.tbin
6971 8 Title: Quinolines as potent 5-lipoxygenase inhibitors: synthesis and biological profile of L-746,530. Abstract: Leukotriene biosynthesis inhibitors have potential as new therapeutic agents for asthma and inflammatory diseases. A series of novel substituted 2-cyanoquinolines have been synthesized and the structure activity relationships were evaluated with respect to their ability to inhibit the formation of leukotrienes via the 5-lipoxygenase enzyme. [1S,5R]-2-Cyano-4-(3-furyl)-7- inverted quest... aid6971.table aid6971.tbin
6972 14 Title: Thiopyrano[2,3,4-cd]indoles as 5-lipoxygenase inhibitors: synthesis, biological profile, and resolution of 2-[2-[1-(4-chlorobenzyl)-4-methyl-6-[(5-phenylpyridin-2-yl)methoxy]-4,5 -dihydro-1H-thiopyrano[2,3,4-cd]indol-2-yl]ethoxy]butanoic acid. Abstract: Leukotriene biosynthesis inhibitors have potential as new therapies for asthma and inflammatory diseases. The recently disclosed thiopyrano[2,3,4-cd]indole class of 5-lipoxygenase (5-LO) inhibitors has been investigated with particular emp... aid6972.table aid6972.tbin
6973 1 Title: Effects of 1-arylpyrroles and naphthoflavones upon cytochrome P-450 dependent monooxygenase activities. Abstract: The inhibitions of cytochrome P-450 dependent monooxygenase activity in microsomes from rat liver by 1-phenylpyrrole, 1-(2-isopropylphenyl)pyrrole, 4(5)-phenylimidazole, and 1-(2-isopropylphenyl)imidazole have been compared. The results establish that the presence of an imidazole N-3 nitrogen substituent is not required to inhibit the monooxygenase activity measured by the dee... aid6973.table aid6973.tbin
6974 1 Title: Effects of 1-arylpyrroles and naphthoflavones upon cytochrome P-450 dependent monooxygenase activities. Abstract: The inhibitions of cytochrome P-450 dependent monooxygenase activity in microsomes from rat liver by 1-phenylpyrrole, 1-(2-isopropylphenyl)pyrrole, 4(5)-phenylimidazole, and 1-(2-isopropylphenyl)imidazole have been compared. The results establish that the presence of an imidazole N-3 nitrogen substituent is not required to inhibit the monooxygenase activity measured by the dee... aid6974.table aid6974.tbin
6975 1 Title: Effects of 1-arylpyrroles and naphthoflavones upon cytochrome P-450 dependent monooxygenase activities. Abstract: The inhibitions of cytochrome P-450 dependent monooxygenase activity in microsomes from rat liver by 1-phenylpyrrole, 1-(2-isopropylphenyl)pyrrole, 4(5)-phenylimidazole, and 1-(2-isopropylphenyl)imidazole have been compared. The results establish that the presence of an imidazole N-3 nitrogen substituent is not required to inhibit the monooxygenase activity measured by the dee... aid6975.table aid6975.tbin
6976 1 Title: Effects of 1-arylpyrroles and naphthoflavones upon cytochrome P-450 dependent monooxygenase activities. Abstract: The inhibitions of cytochrome P-450 dependent monooxygenase activity in microsomes from rat liver by 1-phenylpyrrole, 1-(2-isopropylphenyl)pyrrole, 4(5)-phenylimidazole, and 1-(2-isopropylphenyl)imidazole have been compared. The results establish that the presence of an imidazole N-3 nitrogen substituent is not required to inhibit the monooxygenase activity measured by the dee... aid6976.table aid6976.tbin
6977 2 Title: Effects of 1-arylpyrroles and naphthoflavones upon cytochrome P-450 dependent monooxygenase activities. Abstract: The inhibitions of cytochrome P-450 dependent monooxygenase activity in microsomes from rat liver by 1-phenylpyrrole, 1-(2-isopropylphenyl)pyrrole, 4(5)-phenylimidazole, and 1-(2-isopropylphenyl)imidazole have been compared. The results establish that the presence of an imidazole N-3 nitrogen substituent is not required to inhibit the monooxygenase activity measured by the dee... aid6977.table aid6977.tbin
6978 2 Title: Effects of 1-arylpyrroles and naphthoflavones upon cytochrome P-450 dependent monooxygenase activities. Abstract: The inhibitions of cytochrome P-450 dependent monooxygenase activity in microsomes from rat liver by 1-phenylpyrrole, 1-(2-isopropylphenyl)pyrrole, 4(5)-phenylimidazole, and 1-(2-isopropylphenyl)imidazole have been compared. The results establish that the presence of an imidazole N-3 nitrogen substituent is not required to inhibit the monooxygenase activity measured by the dee... aid6978.table aid6978.tbin
6979 1 Title: Effects of 1-arylpyrroles and naphthoflavones upon cytochrome P-450 dependent monooxygenase activities. Abstract: The inhibitions of cytochrome P-450 dependent monooxygenase activity in microsomes from rat liver by 1-phenylpyrrole, 1-(2-isopropylphenyl)pyrrole, 4(5)-phenylimidazole, and 1-(2-isopropylphenyl)imidazole have been compared. The results establish that the presence of an imidazole N-3 nitrogen substituent is not required to inhibit the monooxygenase activity measured by the dee... aid6979.table aid6979.tbin
6980 1 Title: Effects of 1-arylpyrroles and naphthoflavones upon cytochrome P-450 dependent monooxygenase activities. Abstract: The inhibitions of cytochrome P-450 dependent monooxygenase activity in microsomes from rat liver by 1-phenylpyrrole, 1-(2-isopropylphenyl)pyrrole, 4(5)-phenylimidazole, and 1-(2-isopropylphenyl)imidazole have been compared. The results establish that the presence of an imidazole N-3 nitrogen substituent is not required to inhibit the monooxygenase activity measured by the dee... aid6980.table aid6980.tbin
6981 3 Title: Effects of 1-arylpyrroles and naphthoflavones upon cytochrome P-450 dependent monooxygenase activities. Abstract: The inhibitions of cytochrome P-450 dependent monooxygenase activity in microsomes from rat liver by 1-phenylpyrrole, 1-(2-isopropylphenyl)pyrrole, 4(5)-phenylimidazole, and 1-(2-isopropylphenyl)imidazole have been compared. The results establish that the presence of an imidazole N-3 nitrogen substituent is not required to inhibit the monooxygenase activity measured by the dee... aid6981.table aid6981.tbin
6982 1 Title: Effects of 1-arylpyrroles and naphthoflavones upon cytochrome P-450 dependent monooxygenase activities. Abstract: The inhibitions of cytochrome P-450 dependent monooxygenase activity in microsomes from rat liver by 1-phenylpyrrole, 1-(2-isopropylphenyl)pyrrole, 4(5)-phenylimidazole, and 1-(2-isopropylphenyl)imidazole have been compared. The results establish that the presence of an imidazole N-3 nitrogen substituent is not required to inhibit the monooxygenase activity measured by the dee... aid6982.table aid6982.tbin
6983 1 Title: Effects of 1-arylpyrroles and naphthoflavones upon cytochrome P-450 dependent monooxygenase activities. Abstract: The inhibitions of cytochrome P-450 dependent monooxygenase activity in microsomes from rat liver by 1-phenylpyrrole, 1-(2-isopropylphenyl)pyrrole, 4(5)-phenylimidazole, and 1-(2-isopropylphenyl)imidazole have been compared. The results establish that the presence of an imidazole N-3 nitrogen substituent is not required to inhibit the monooxygenase activity measured by the dee... aid6983.table aid6983.tbin
6984 1 Title: Effects of 1-arylpyrroles and naphthoflavones upon cytochrome P-450 dependent monooxygenase activities. Abstract: The inhibitions of cytochrome P-450 dependent monooxygenase activity in microsomes from rat liver by 1-phenylpyrrole, 1-(2-isopropylphenyl)pyrrole, 4(5)-phenylimidazole, and 1-(2-isopropylphenyl)imidazole have been compared. The results establish that the presence of an imidazole N-3 nitrogen substituent is not required to inhibit the monooxygenase activity measured by the dee... aid6984.table aid6984.tbin
6985 2 Title: Effects of 1-arylpyrroles and naphthoflavones upon cytochrome P-450 dependent monooxygenase activities. Abstract: The inhibitions of cytochrome P-450 dependent monooxygenase activity in microsomes from rat liver by 1-phenylpyrrole, 1-(2-isopropylphenyl)pyrrole, 4(5)-phenylimidazole, and 1-(2-isopropylphenyl)imidazole have been compared. The results establish that the presence of an imidazole N-3 nitrogen substituent is not required to inhibit the monooxygenase activity measured by the dee... aid6985.table aid6985.tbin
6986 4 Title: Effects of 1-arylpyrroles and naphthoflavones upon cytochrome P-450 dependent monooxygenase activities. Abstract: The inhibitions of cytochrome P-450 dependent monooxygenase activity in microsomes from rat liver by 1-phenylpyrrole, 1-(2-isopropylphenyl)pyrrole, 4(5)-phenylimidazole, and 1-(2-isopropylphenyl)imidazole have been compared. The results establish that the presence of an imidazole N-3 nitrogen substituent is not required to inhibit the monooxygenase activity measured by the dee... aid6986.table aid6986.tbin
6987 3 Title: Effects of 1-arylpyrroles and naphthoflavones upon cytochrome P-450 dependent monooxygenase activities. Abstract: The inhibitions of cytochrome P-450 dependent monooxygenase activity in microsomes from rat liver by 1-phenylpyrrole, 1-(2-isopropylphenyl)pyrrole, 4(5)-phenylimidazole, and 1-(2-isopropylphenyl)imidazole have been compared. The results establish that the presence of an imidazole N-3 nitrogen substituent is not required to inhibit the monooxygenase activity measured by the dee... aid6987.table aid6987.tbin
6988 1 Title: Effects of 1-arylpyrroles and naphthoflavones upon cytochrome P-450 dependent monooxygenase activities. Abstract: The inhibitions of cytochrome P-450 dependent monooxygenase activity in microsomes from rat liver by 1-phenylpyrrole, 1-(2-isopropylphenyl)pyrrole, 4(5)-phenylimidazole, and 1-(2-isopropylphenyl)imidazole have been compared. The results establish that the presence of an imidazole N-3 nitrogen substituent is not required to inhibit the monooxygenase activity measured by the dee... aid6988.table aid6988.tbin
6989 6 Title: Effects of 1-arylpyrroles and naphthoflavones upon cytochrome P-450 dependent monooxygenase activities. Abstract: The inhibitions of cytochrome P-450 dependent monooxygenase activity in microsomes from rat liver by 1-phenylpyrrole, 1-(2-isopropylphenyl)pyrrole, 4(5)-phenylimidazole, and 1-(2-isopropylphenyl)imidazole have been compared. The results establish that the presence of an imidazole N-3 nitrogen substituent is not required to inhibit the monooxygenase activity measured by the dee... aid6989.table aid6989.tbin
6990 8 Title: Effects of 1-arylpyrroles and naphthoflavones upon cytochrome P-450 dependent monooxygenase activities. Abstract: The inhibitions of cytochrome P-450 dependent monooxygenase activity in microsomes from rat liver by 1-phenylpyrrole, 1-(2-isopropylphenyl)pyrrole, 4(5)-phenylimidazole, and 1-(2-isopropylphenyl)imidazole have been compared. The results establish that the presence of an imidazole N-3 nitrogen substituent is not required to inhibit the monooxygenase activity measured by the dee... aid6990.table aid6990.tbin
6991 1 Title: Effects of 1-arylpyrroles and naphthoflavones upon cytochrome P-450 dependent monooxygenase activities. Abstract: The inhibitions of cytochrome P-450 dependent monooxygenase activity in microsomes from rat liver by 1-phenylpyrrole, 1-(2-isopropylphenyl)pyrrole, 4(5)-phenylimidazole, and 1-(2-isopropylphenyl)imidazole have been compared. The results establish that the presence of an imidazole N-3 nitrogen substituent is not required to inhibit the monooxygenase activity measured by the dee... aid6991.table aid6991.tbin
6992 1 Title: Effects of 1-arylpyrroles and naphthoflavones upon cytochrome P-450 dependent monooxygenase activities. Abstract: The inhibitions of cytochrome P-450 dependent monooxygenase activity in microsomes from rat liver by 1-phenylpyrrole, 1-(2-isopropylphenyl)pyrrole, 4(5)-phenylimidazole, and 1-(2-isopropylphenyl)imidazole have been compared. The results establish that the presence of an imidazole N-3 nitrogen substituent is not required to inhibit the monooxygenase activity measured by the dee... aid6992.table aid6992.tbin
6993 1 Title: Effects of 1-arylpyrroles and naphthoflavones upon cytochrome P-450 dependent monooxygenase activities. Abstract: The inhibitions of cytochrome P-450 dependent monooxygenase activity in microsomes from rat liver by 1-phenylpyrrole, 1-(2-isopropylphenyl)pyrrole, 4(5)-phenylimidazole, and 1-(2-isopropylphenyl)imidazole have been compared. The results establish that the presence of an imidazole N-3 nitrogen substituent is not required to inhibit the monooxygenase activity measured by the dee... aid6993.table aid6993.tbin
6994 1 Title: Effects of 1-arylpyrroles and naphthoflavones upon cytochrome P-450 dependent monooxygenase activities. Abstract: The inhibitions of cytochrome P-450 dependent monooxygenase activity in microsomes from rat liver by 1-phenylpyrrole, 1-(2-isopropylphenyl)pyrrole, 4(5)-phenylimidazole, and 1-(2-isopropylphenyl)imidazole have been compared. The results establish that the presence of an imidazole N-3 nitrogen substituent is not required to inhibit the monooxygenase activity measured by the dee... aid6994.table aid6994.tbin
6995 1 Title: Effects of 1-arylpyrroles and naphthoflavones upon cytochrome P-450 dependent monooxygenase activities. Abstract: The inhibitions of cytochrome P-450 dependent monooxygenase activity in microsomes from rat liver by 1-phenylpyrrole, 1-(2-isopropylphenyl)pyrrole, 4(5)-phenylimidazole, and 1-(2-isopropylphenyl)imidazole have been compared. The results establish that the presence of an imidazole N-3 nitrogen substituent is not required to inhibit the monooxygenase activity measured by the dee... aid6995.table aid6995.tbin
6996 1 Title: Effects of 1-arylpyrroles and naphthoflavones upon cytochrome P-450 dependent monooxygenase activities. Abstract: The inhibitions of cytochrome P-450 dependent monooxygenase activity in microsomes from rat liver by 1-phenylpyrrole, 1-(2-isopropylphenyl)pyrrole, 4(5)-phenylimidazole, and 1-(2-isopropylphenyl)imidazole have been compared. The results establish that the presence of an imidazole N-3 nitrogen substituent is not required to inhibit the monooxygenase activity measured by the dee... aid6996.table aid6996.tbin
6997 1 Title: Effects of 1-arylpyrroles and naphthoflavones upon cytochrome P-450 dependent monooxygenase activities. Abstract: The inhibitions of cytochrome P-450 dependent monooxygenase activity in microsomes from rat liver by 1-phenylpyrrole, 1-(2-isopropylphenyl)pyrrole, 4(5)-phenylimidazole, and 1-(2-isopropylphenyl)imidazole have been compared. The results establish that the presence of an imidazole N-3 nitrogen substituent is not required to inhibit the monooxygenase activity measured by the dee... aid6997.table aid6997.tbin
6998 1 Title: Effects of 1-arylpyrroles and naphthoflavones upon cytochrome P-450 dependent monooxygenase activities. Abstract: The inhibitions of cytochrome P-450 dependent monooxygenase activity in microsomes from rat liver by 1-phenylpyrrole, 1-(2-isopropylphenyl)pyrrole, 4(5)-phenylimidazole, and 1-(2-isopropylphenyl)imidazole have been compared. The results establish that the presence of an imidazole N-3 nitrogen substituent is not required to inhibit the monooxygenase activity measured by the dee... aid6998.table aid6998.tbin
6999 1 Title: Effects of 1-arylpyrroles and naphthoflavones upon cytochrome P-450 dependent monooxygenase activities. Abstract: The inhibitions of cytochrome P-450 dependent monooxygenase activity in microsomes from rat liver by 1-phenylpyrrole, 1-(2-isopropylphenyl)pyrrole, 4(5)-phenylimidazole, and 1-(2-isopropylphenyl)imidazole have been compared. The results establish that the presence of an imidazole N-3 nitrogen substituent is not required to inhibit the monooxygenase activity measured by the dee... aid6999.table aid6999.tbin
7000 1 Title: Effects of 1-arylpyrroles and naphthoflavones upon cytochrome P-450 dependent monooxygenase activities. Abstract: The inhibitions of cytochrome P-450 dependent monooxygenase activity in microsomes from rat liver by 1-phenylpyrrole, 1-(2-isopropylphenyl)pyrrole, 4(5)-phenylimidazole, and 1-(2-isopropylphenyl)imidazole have been compared. The results establish that the presence of an imidazole N-3 nitrogen substituent is not required to inhibit the monooxygenase activity measured by the dee... aid7000.table aid7000.tbin
7001 2 Title: Effects of 1-arylpyrroles and naphthoflavones upon cytochrome P-450 dependent monooxygenase activities. Abstract: The inhibitions of cytochrome P-450 dependent monooxygenase activity in microsomes from rat liver by 1-phenylpyrrole, 1-(2-isopropylphenyl)pyrrole, 4(5)-phenylimidazole, and 1-(2-isopropylphenyl)imidazole have been compared. The results establish that the presence of an imidazole N-3 nitrogen substituent is not required to inhibit the monooxygenase activity measured by the dee... aid7001.table aid7001.tbin
7002 3 Title: Effects of 1-arylpyrroles and naphthoflavones upon cytochrome P-450 dependent monooxygenase activities. Abstract: The inhibitions of cytochrome P-450 dependent monooxygenase activity in microsomes from rat liver by 1-phenylpyrrole, 1-(2-isopropylphenyl)pyrrole, 4(5)-phenylimidazole, and 1-(2-isopropylphenyl)imidazole have been compared. The results establish that the presence of an imidazole N-3 nitrogen substituent is not required to inhibit the monooxygenase activity measured by the dee... aid7002.table aid7002.tbin
7003 1 Title: Effects of 1-arylpyrroles and naphthoflavones upon cytochrome P-450 dependent monooxygenase activities. Abstract: The inhibitions of cytochrome P-450 dependent monooxygenase activity in microsomes from rat liver by 1-phenylpyrrole, 1-(2-isopropylphenyl)pyrrole, 4(5)-phenylimidazole, and 1-(2-isopropylphenyl)imidazole have been compared. The results establish that the presence of an imidazole N-3 nitrogen substituent is not required to inhibit the monooxygenase activity measured by the dee... aid7003.table aid7003.tbin
7004 1 Title: Effects of 1-arylpyrroles and naphthoflavones upon cytochrome P-450 dependent monooxygenase activities. Abstract: The inhibitions of cytochrome P-450 dependent monooxygenase activity in microsomes from rat liver by 1-phenylpyrrole, 1-(2-isopropylphenyl)pyrrole, 4(5)-phenylimidazole, and 1-(2-isopropylphenyl)imidazole have been compared. The results establish that the presence of an imidazole N-3 nitrogen substituent is not required to inhibit the monooxygenase activity measured by the dee... aid7004.table aid7004.tbin
7005 1 Title: Effects of 1-arylpyrroles and naphthoflavones upon cytochrome P-450 dependent monooxygenase activities. Abstract: The inhibitions of cytochrome P-450 dependent monooxygenase activity in microsomes from rat liver by 1-phenylpyrrole, 1-(2-isopropylphenyl)pyrrole, 4(5)-phenylimidazole, and 1-(2-isopropylphenyl)imidazole have been compared. The results establish that the presence of an imidazole N-3 nitrogen substituent is not required to inhibit the monooxygenase activity measured by the dee... aid7005.table aid7005.tbin
7006 3 Title: Effects of 1-arylpyrroles and naphthoflavones upon cytochrome P-450 dependent monooxygenase activities. Abstract: The inhibitions of cytochrome P-450 dependent monooxygenase activity in microsomes from rat liver by 1-phenylpyrrole, 1-(2-isopropylphenyl)pyrrole, 4(5)-phenylimidazole, and 1-(2-isopropylphenyl)imidazole have been compared. The results establish that the presence of an imidazole N-3 nitrogen substituent is not required to inhibit the monooxygenase activity measured by the dee... aid7006.table aid7006.tbin
7007 1 Title: Effects of 1-arylpyrroles and naphthoflavones upon cytochrome P-450 dependent monooxygenase activities. Abstract: The inhibitions of cytochrome P-450 dependent monooxygenase activity in microsomes from rat liver by 1-phenylpyrrole, 1-(2-isopropylphenyl)pyrrole, 4(5)-phenylimidazole, and 1-(2-isopropylphenyl)imidazole have been compared. The results establish that the presence of an imidazole N-3 nitrogen substituent is not required to inhibit the monooxygenase activity measured by the dee... aid7007.table aid7007.tbin
7008 1 Title: Effects of 1-arylpyrroles and naphthoflavones upon cytochrome P-450 dependent monooxygenase activities. Abstract: The inhibitions of cytochrome P-450 dependent monooxygenase activity in microsomes from rat liver by 1-phenylpyrrole, 1-(2-isopropylphenyl)pyrrole, 4(5)-phenylimidazole, and 1-(2-isopropylphenyl)imidazole have been compared. The results establish that the presence of an imidazole N-3 nitrogen substituent is not required to inhibit the monooxygenase activity measured by the dee... aid7008.table aid7008.tbin
7009 1 Title: Effects of 1-arylpyrroles and naphthoflavones upon cytochrome P-450 dependent monooxygenase activities. Abstract: The inhibitions of cytochrome P-450 dependent monooxygenase activity in microsomes from rat liver by 1-phenylpyrrole, 1-(2-isopropylphenyl)pyrrole, 4(5)-phenylimidazole, and 1-(2-isopropylphenyl)imidazole have been compared. The results establish that the presence of an imidazole N-3 nitrogen substituent is not required to inhibit the monooxygenase activity measured by the dee... aid7009.table aid7009.tbin
7010 1 Title: Effects of 1-arylpyrroles and naphthoflavones upon cytochrome P-450 dependent monooxygenase activities. Abstract: The inhibitions of cytochrome P-450 dependent monooxygenase activity in microsomes from rat liver by 1-phenylpyrrole, 1-(2-isopropylphenyl)pyrrole, 4(5)-phenylimidazole, and 1-(2-isopropylphenyl)imidazole have been compared. The results establish that the presence of an imidazole N-3 nitrogen substituent is not required to inhibit the monooxygenase activity measured by the dee... aid7010.table aid7010.tbin
7011 1 Title: Effects of 1-arylpyrroles and naphthoflavones upon cytochrome P-450 dependent monooxygenase activities. Abstract: The inhibitions of cytochrome P-450 dependent monooxygenase activity in microsomes from rat liver by 1-phenylpyrrole, 1-(2-isopropylphenyl)pyrrole, 4(5)-phenylimidazole, and 1-(2-isopropylphenyl)imidazole have been compared. The results establish that the presence of an imidazole N-3 nitrogen substituent is not required to inhibit the monooxygenase activity measured by the dee... aid7011.table aid7011.tbin
7012 2 Title: Effects of 1-arylpyrroles and naphthoflavones upon cytochrome P-450 dependent monooxygenase activities. Abstract: The inhibitions of cytochrome P-450 dependent monooxygenase activity in microsomes from rat liver by 1-phenylpyrrole, 1-(2-isopropylphenyl)pyrrole, 4(5)-phenylimidazole, and 1-(2-isopropylphenyl)imidazole have been compared. The results establish that the presence of an imidazole N-3 nitrogen substituent is not required to inhibit the monooxygenase activity measured by the dee... aid7012.table aid7012.tbin
7013 3 Title: Effects of 1-arylpyrroles and naphthoflavones upon cytochrome P-450 dependent monooxygenase activities. Abstract: The inhibitions of cytochrome P-450 dependent monooxygenase activity in microsomes from rat liver by 1-phenylpyrrole, 1-(2-isopropylphenyl)pyrrole, 4(5)-phenylimidazole, and 1-(2-isopropylphenyl)imidazole have been compared. The results establish that the presence of an imidazole N-3 nitrogen substituent is not required to inhibit the monooxygenase activity measured by the dee... aid7013.table aid7013.tbin
7014 2 Title: Effects of 1-arylpyrroles and naphthoflavones upon cytochrome P-450 dependent monooxygenase activities. Abstract: The inhibitions of cytochrome P-450 dependent monooxygenase activity in microsomes from rat liver by 1-phenylpyrrole, 1-(2-isopropylphenyl)pyrrole, 4(5)-phenylimidazole, and 1-(2-isopropylphenyl)imidazole have been compared. The results establish that the presence of an imidazole N-3 nitrogen substituent is not required to inhibit the monooxygenase activity measured by the dee... aid7014.table aid7014.tbin
7015 2 Title: Effects of 1-arylpyrroles and naphthoflavones upon cytochrome P-450 dependent monooxygenase activities. Abstract: The inhibitions of cytochrome P-450 dependent monooxygenase activity in microsomes from rat liver by 1-phenylpyrrole, 1-(2-isopropylphenyl)pyrrole, 4(5)-phenylimidazole, and 1-(2-isopropylphenyl)imidazole have been compared. The results establish that the presence of an imidazole N-3 nitrogen substituent is not required to inhibit the monooxygenase activity measured by the dee... aid7015.table aid7015.tbin
7016 2 Title: Effects of 1-arylpyrroles and naphthoflavones upon cytochrome P-450 dependent monooxygenase activities. Abstract: The inhibitions of cytochrome P-450 dependent monooxygenase activity in microsomes from rat liver by 1-phenylpyrrole, 1-(2-isopropylphenyl)pyrrole, 4(5)-phenylimidazole, and 1-(2-isopropylphenyl)imidazole have been compared. The results establish that the presence of an imidazole N-3 nitrogen substituent is not required to inhibit the monooxygenase activity measured by the dee... aid7016.table aid7016.tbin
7017 1 Title: Effects of 1-arylpyrroles and naphthoflavones upon cytochrome P-450 dependent monooxygenase activities. Abstract: The inhibitions of cytochrome P-450 dependent monooxygenase activity in microsomes from rat liver by 1-phenylpyrrole, 1-(2-isopropylphenyl)pyrrole, 4(5)-phenylimidazole, and 1-(2-isopropylphenyl)imidazole have been compared. The results establish that the presence of an imidazole N-3 nitrogen substituent is not required to inhibit the monooxygenase activity measured by the dee... aid7017.table aid7017.tbin
7018 1 Title: Effects of 1-arylpyrroles and naphthoflavones upon cytochrome P-450 dependent monooxygenase activities. Abstract: The inhibitions of cytochrome P-450 dependent monooxygenase activity in microsomes from rat liver by 1-phenylpyrrole, 1-(2-isopropylphenyl)pyrrole, 4(5)-phenylimidazole, and 1-(2-isopropylphenyl)imidazole have been compared. The results establish that the presence of an imidazole N-3 nitrogen substituent is not required to inhibit the monooxygenase activity measured by the dee... aid7018.table aid7018.tbin
7019 1 Title: Effects of 1-arylpyrroles and naphthoflavones upon cytochrome P-450 dependent monooxygenase activities. Abstract: The inhibitions of cytochrome P-450 dependent monooxygenase activity in microsomes from rat liver by 1-phenylpyrrole, 1-(2-isopropylphenyl)pyrrole, 4(5)-phenylimidazole, and 1-(2-isopropylphenyl)imidazole have been compared. The results establish that the presence of an imidazole N-3 nitrogen substituent is not required to inhibit the monooxygenase activity measured by the dee... aid7019.table aid7019.tbin
7020 1 Title: Effects of 1-arylpyrroles and naphthoflavones upon cytochrome P-450 dependent monooxygenase activities. Abstract: The inhibitions of cytochrome P-450 dependent monooxygenase activity in microsomes from rat liver by 1-phenylpyrrole, 1-(2-isopropylphenyl)pyrrole, 4(5)-phenylimidazole, and 1-(2-isopropylphenyl)imidazole have been compared. The results establish that the presence of an imidazole N-3 nitrogen substituent is not required to inhibit the monooxygenase activity measured by the dee... aid7020.table aid7020.tbin
7021 5 Title: Effects of 1-arylpyrroles and naphthoflavones upon cytochrome P-450 dependent monooxygenase activities. Abstract: The inhibitions of cytochrome P-450 dependent monooxygenase activity in microsomes from rat liver by 1-phenylpyrrole, 1-(2-isopropylphenyl)pyrrole, 4(5)-phenylimidazole, and 1-(2-isopropylphenyl)imidazole have been compared. The results establish that the presence of an imidazole N-3 nitrogen substituent is not required to inhibit the monooxygenase activity measured by the dee... aid7021.table aid7021.tbin
7022 6 Title: Effects of 1-arylpyrroles and naphthoflavones upon cytochrome P-450 dependent monooxygenase activities. Abstract: The inhibitions of cytochrome P-450 dependent monooxygenase activity in microsomes from rat liver by 1-phenylpyrrole, 1-(2-isopropylphenyl)pyrrole, 4(5)-phenylimidazole, and 1-(2-isopropylphenyl)imidazole have been compared. The results establish that the presence of an imidazole N-3 nitrogen substituent is not required to inhibit the monooxygenase activity measured by the dee... aid7022.table aid7022.tbin
7023 1 Title: Effects of 1-arylpyrroles and naphthoflavones upon cytochrome P-450 dependent monooxygenase activities. Abstract: The inhibitions of cytochrome P-450 dependent monooxygenase activity in microsomes from rat liver by 1-phenylpyrrole, 1-(2-isopropylphenyl)pyrrole, 4(5)-phenylimidazole, and 1-(2-isopropylphenyl)imidazole have been compared. The results establish that the presence of an imidazole N-3 nitrogen substituent is not required to inhibit the monooxygenase activity measured by the dee... aid7023.table aid7023.tbin
7024 1 Title: Effects of 1-arylpyrroles and naphthoflavones upon cytochrome P-450 dependent monooxygenase activities. Abstract: The inhibitions of cytochrome P-450 dependent monooxygenase activity in microsomes from rat liver by 1-phenylpyrrole, 1-(2-isopropylphenyl)pyrrole, 4(5)-phenylimidazole, and 1-(2-isopropylphenyl)imidazole have been compared. The results establish that the presence of an imidazole N-3 nitrogen substituent is not required to inhibit the monooxygenase activity measured by the dee... aid7024.table aid7024.tbin
7025 1 Title: Effects of 1-arylpyrroles and naphthoflavones upon cytochrome P-450 dependent monooxygenase activities. Abstract: The inhibitions of cytochrome P-450 dependent monooxygenase activity in microsomes from rat liver by 1-phenylpyrrole, 1-(2-isopropylphenyl)pyrrole, 4(5)-phenylimidazole, and 1-(2-isopropylphenyl)imidazole have been compared. The results establish that the presence of an imidazole N-3 nitrogen substituent is not required to inhibit the monooxygenase activity measured by the dee... aid7025.table aid7025.tbin
7026 3 Title: Structure-activity studies of antitumor agents based on pyrrolo[1,2-a]benzimidazoles: new reductive alkylating DNA cleaving agents. Abstract: Described herein are structure-activity studies of new antitumor agents based on the pyrrolo[1,2-a]benzimidazole (PBI) ring system. These compounds were designed as new DNA cross-linkers mimicking the mitomycin antitumor agents. Actually, the PBI derivatives were found to have anthracycline-like features: (i) shared cross resistance with doxorubicin... aid7026.table aid7026.tbin
7027 6 Title: Synthesis of OSW-1 analogs with modified side chains and their antitumor activities. Abstract: Four analogs of OSW-1 (1-4) with modified side chains on the steroidal skeleton were synthesized following modification of our previous route for the total synthesis of OSW-1. Testing of the analogs against growth of tumor cells demonstrated that the 22-one function and the full length of the side chain of OSW-1 were not required for the antitumor action of OSW-1. aid7027.table aid7027.tbin
7028 3 Title: Arylsulfonyl-N,N-diethyl-dithiocarbamates: a novel class of antitumor agents. Abstract: A series of alkyl/arylsulfonyl-N,N-diethyl-dithiocarbamates has been prepared by reaction of sodium N,N-diethyldithiocarbamate with alkyl/arylsulfonyl halides. The reactivity of these new derivatives against cysteine and glutathione has been investigated in order to identify derivatives that might label a critical cysteine residue of tubulin (Cys 239 of human beta2 tubulin chain). Some of the most reac... aid7028.table aid7028.tbin
7029 2 Title: Arylsulfonyl-N,N-diethyl-dithiocarbamates: a novel class of antitumor agents. Abstract: A series of alkyl/arylsulfonyl-N,N-diethyl-dithiocarbamates has been prepared by reaction of sodium N,N-diethyldithiocarbamate with alkyl/arylsulfonyl halides. The reactivity of these new derivatives against cysteine and glutathione has been investigated in order to identify derivatives that might label a critical cysteine residue of tubulin (Cys 239 of human beta2 tubulin chain). Some of the most reac... aid7029.table aid7029.tbin
7030 16 Title: Novel hexakis(areneisonitrile)technetium(I) complexes as radioligands targeted to the multidrug resistance P-glycoprotein. Abstract: Transport substrates and modulators of the human multidrug resistance (MDR1) P-glycoprotein (Pgp) are generally lipophilic cationic compounds, many with substituted aryl moieties. We sought to synthesize aromatic technetium-isonitrile complexes to enable functional detection in vivo of Pgp expression in tissues. A series of substituted aromatic isonitrile an... aid7030.table aid7030.tbin
7031 16 Title: Novel hexakis(areneisonitrile)technetium(I) complexes as radioligands targeted to the multidrug resistance P-glycoprotein. Abstract: Transport substrates and modulators of the human multidrug resistance (MDR1) P-glycoprotein (Pgp) are generally lipophilic cationic compounds, many with substituted aryl moieties. We sought to synthesize aromatic technetium-isonitrile complexes to enable functional detection in vivo of Pgp expression in tissues. A series of substituted aromatic isonitrile an... aid7031.table aid7031.tbin
7032 2 Title: DL-threo-beta-Fluoroaspartate and DL-threo-beta-fluoroasparagine: selective cytotoxic agents for mammalian cells in culture. Abstract: Absolute configuration assignments have been made for the diastereomers of DL-beta-fluoroaspartate by X-ray analysis. The cytotoxicity of these isomers against various mammalian cells was examined. DL-threo-beta-Fluoroaspartate shows selective cytotoxicity. Growth of the most sensitive cells is completely inhibited by 13 micrometers DL-threo-beta-fluoroasp... aid7032.table aid7032.tbin
7033 1 Title: DL-threo-beta-Fluoroaspartate and DL-threo-beta-fluoroasparagine: selective cytotoxic agents for mammalian cells in culture. Abstract: Absolute configuration assignments have been made for the diastereomers of DL-beta-fluoroaspartate by X-ray analysis. The cytotoxicity of these isomers against various mammalian cells was examined. DL-threo-beta-Fluoroaspartate shows selective cytotoxicity. Growth of the most sensitive cells is completely inhibited by 13 micrometers DL-threo-beta-fluoroasp... aid7033.table aid7033.tbin
7034 1 Title: DL-threo-beta-Fluoroaspartate and DL-threo-beta-fluoroasparagine: selective cytotoxic agents for mammalian cells in culture. Abstract: Absolute configuration assignments have been made for the diastereomers of DL-beta-fluoroaspartate by X-ray analysis. The cytotoxicity of these isomers against various mammalian cells was examined. DL-threo-beta-Fluoroaspartate shows selective cytotoxicity. Growth of the most sensitive cells is completely inhibited by 13 micrometers DL-threo-beta-fluoroasp... aid7034.table aid7034.tbin
7035 1 Title: DL-threo-beta-Fluoroaspartate and DL-threo-beta-fluoroasparagine: selective cytotoxic agents for mammalian cells in culture. Abstract: Absolute configuration assignments have been made for the diastereomers of DL-beta-fluoroaspartate by X-ray analysis. The cytotoxicity of these isomers against various mammalian cells was examined. DL-threo-beta-Fluoroaspartate shows selective cytotoxicity. Growth of the most sensitive cells is completely inhibited by 13 micrometers DL-threo-beta-fluoroasp... aid7035.table aid7035.tbin
7036 1 Title: DL-threo-beta-Fluoroaspartate and DL-threo-beta-fluoroasparagine: selective cytotoxic agents for mammalian cells in culture. Abstract: Absolute configuration assignments have been made for the diastereomers of DL-beta-fluoroaspartate by X-ray analysis. The cytotoxicity of these isomers against various mammalian cells was examined. DL-threo-beta-Fluoroaspartate shows selective cytotoxicity. Growth of the most sensitive cells is completely inhibited by 13 micrometers DL-threo-beta-fluoroasp... aid7036.table aid7036.tbin
7037 1 Title: DL-threo-beta-Fluoroaspartate and DL-threo-beta-fluoroasparagine: selective cytotoxic agents for mammalian cells in culture. Abstract: Absolute configuration assignments have been made for the diastereomers of DL-beta-fluoroaspartate by X-ray analysis. The cytotoxicity of these isomers against various mammalian cells was examined. DL-threo-beta-Fluoroaspartate shows selective cytotoxicity. Growth of the most sensitive cells is completely inhibited by 13 micrometers DL-threo-beta-fluoroasp... aid7037.table aid7037.tbin
7038 10 Title: Structures and cytotoxic properties of trichoverroids and their macrolide analogues produced by saltwater culture of Myrothecium verrucaria. Abstract: Saltwater culture of Myrothecium verrucaria, separated from a Spongia sp. collected in Hawaii, was a source of three new trichothecenes, 3-hydroxyroridin E (1a), 13'-acetyltrichoverrin B (2), and miophytocen C (3) and nine known related compounds (1b, 4, 5, 6, 7a, 7b, 8, 9a, and 9b). The stereostructures of the new compounds were establishe... aid7038.table aid7038.tbin
7039 4 Title: 6-substituted 2,4-diamino-5-methylpyrido[2,3-d]pyrimidines as inhibitors of dihydrofolate reductases from Pneumocystis carinii and Toxoplasma gondii and as antitumor agents. Abstract: The synthesis and biological activity of 15 6-substituted 2,4-diamino-5-methylpyrido[2,3-d]-pyrimidines are reported. These compounds were synthesized in improved yields by modifications of procedures previously reported by us. Specifically, dimethoxyphenyl-substituted compounds with H and CH3 at the N-10 po... aid7039.table aid7039.tbin
7040 3 Title: Syntheses and biological activities of a novel group of steroidal derived inhibitors for human Cdc25A protein phosphatase. Abstract: Silica gel supported pyrolysis of an azido-homo-oxa steroid led to rearrangement, presumably by a mechanism similar to that of solution phase Schmidt fragmentation, to produce a group of novel inhibitors for the oncogenic cell cycle regulator Cdc25A phosphatase. Cyano-containing acid 17, one of the best inhibitors in this group, inhibited the activity of Cdc... aid7040.table aid7040.tbin
7041 6 Title: Syntheses and biological activities of a novel group of steroidal derived inhibitors for human Cdc25A protein phosphatase. Abstract: Silica gel supported pyrolysis of an azido-homo-oxa steroid led to rearrangement, presumably by a mechanism similar to that of solution phase Schmidt fragmentation, to produce a group of novel inhibitors for the oncogenic cell cycle regulator Cdc25A phosphatase. Cyano-containing acid 17, one of the best inhibitors in this group, inhibited the activity of Cdc... aid7041.table aid7041.tbin
7042 1 Title: Synthesis of C-8 methanesulphonate substituted pyrrolobenzodiazepines as potential antitumour agents. Abstract: The facile synthesis of C-8 methanesulphonate substituted pyrrolobenzodiazepines is described. These have been prepared by linking the methanesulphonate at C-8 position with alkanol spacer and their in vitro cytotoxicity have been described. aid7042.table aid7042.tbin
7043 1 Title: Syntheses and biological activities of a novel group of steroidal derived inhibitors for human Cdc25A protein phosphatase. Abstract: Silica gel supported pyrolysis of an azido-homo-oxa steroid led to rearrangement, presumably by a mechanism similar to that of solution phase Schmidt fragmentation, to produce a group of novel inhibitors for the oncogenic cell cycle regulator Cdc25A phosphatase. Cyano-containing acid 17, one of the best inhibitors in this group, inhibited the activity of Cdc... aid7043.table aid7043.tbin
7044 1 Title: 6-Substituted 2,4-diaminopyrido[3,2-d]pyrimidine analogues of piritrexim as inhibitors of dihydrofolate reductase from rat liver, Pneumocystis carinii, and Toxoplasma gondii and as antitumor agents. Abstract: The synthesis and biological activity are reported for 21 6-substituted 2,4-diaminopyrido[3,2-d]pyrimidine analogues (4-24) of piritrexim (PTX) as inhibitors of dihydrofolate reductase (DHFR) and as antitumor agents. Recombinant DHFR from Pneumocystis carinii (pc) and native DHFR fro... aid7044.table aid7044.tbin
7045 3 Title: The synthesis and in vitro cytotoxic studies of novel bis-naphthalimidopropyl polyamine derivatives. Abstract: Bis-naphthalimidopropyl putrescine (BNIPPut), spermidine (BNIPSpd), spermine (BNIPSpm) and oxa-putrescine (BNIPOPut) were synthesised and their growth-inhibitory properties characterised. All these compounds except for BNIPOPut, showed high in vitro cytotoxic activity (with mean GI50 values between 0.5 and 8.45 microM) and selectivity against cancer cells derived from nine differ... aid7045.table aid7045.tbin
7046 6 Title: 6-Substituted 2,4-diaminopyrido[3,2-d]pyrimidine analogues of piritrexim as inhibitors of dihydrofolate reductase from rat liver, Pneumocystis carinii, and Toxoplasma gondii and as antitumor agents. Abstract: The synthesis and biological activity are reported for 21 6-substituted 2,4-diaminopyrido[3,2-d]pyrimidine analogues (4-24) of piritrexim (PTX) as inhibitors of dihydrofolate reductase (DHFR) and as antitumor agents. Recombinant DHFR from Pneumocystis carinii (pc) and native DHFR fro... aid7046.table aid7046.tbin
7047 1 Title: Synthesis and potent antifolate activity and cytotoxicity of B-ring deaza analogues of the nonpolyglutamatable dihydrofolate reductase inhibitor Nalpha-(4-amino-4-deoxypteroyl)-Ndelta-hemiphthaloyl- L-ornithine (PT523). Abstract: Six new B-ring analogues of the nonpolyglutamatable antifolate Nalpha-(4-amino-4-deoxypteroyl)-Ndelta-hemiphthaloy l-L-ornithine (PT523, 3) were synthesized with a view to determining the effect of modifications at the 5- and/or 8-position on dihydrofolate reduct... aid7047.table aid7047.tbin
7048 3 Title: Synthesis and antiparasitic and antitumor activity of 2, 4-diamino-6-(arylmethyl)-5,6,7,8-tetrahydroquinazoline analogues of piritrexim. Abstract: Nineteen previously undescribed 2,4-diamino-6-(arylmethyl)-5,6,7, 8-tetrahydroquinazolines (5a-m, 10-12) were synthesized as part of a larger effort to assess the therapeutic potential of lipophilic dihydrofolate reductase (DHFR) inhibitors against opportunistic infections of AIDS. Condensation of appropriately substituted (arylmethyl)triphenyl... aid7048.table aid7048.tbin
7049 1 Title: Analogues of N alpha-(4-amino-4-deoxypteroyl)-N delta-hemiphthaloyl-L-ornithine (PT523) modified in the side chain: synthesis and biological evaluation. Abstract: Four heretofore undescribed side chain analogues of N alpha-(4-amino-4-deoxypteroyl)-N delta-hemiphthaloyl-L-ornithine (PT523, 4) were synthesized via straightforward methods of antifolate chemistry, and their properties were compared with those of PT523 and two related compounds with the aim of defining the contribution of the ... aid7049.table aid7049.tbin
7050 1 Title: Analogues of N alpha-(4-amino-4-deoxypteroyl)-N delta-hemiphthaloyl-L-ornithine (PT523) modified in the side chain: synthesis and biological evaluation. Abstract: Four heretofore undescribed side chain analogues of N alpha-(4-amino-4-deoxypteroyl)-N delta-hemiphthaloyl-L-ornithine (PT523, 4) were synthesized via straightforward methods of antifolate chemistry, and their properties were compared with those of PT523 and two related compounds with the aim of defining the contribution of the ... aid7050.table aid7050.tbin
7051 2 Title: Analogues of N alpha-(4-amino-4-deoxypteroyl)-N delta-hemiphthaloyl-L-ornithine (PT523) modified in the side chain: synthesis and biological evaluation. Abstract: Four heretofore undescribed side chain analogues of N alpha-(4-amino-4-deoxypteroyl)-N delta-hemiphthaloyl-L-ornithine (PT523, 4) were synthesized via straightforward methods of antifolate chemistry, and their properties were compared with those of PT523 and two related compounds with the aim of defining the contribution of the ... aid7051.table aid7051.tbin
7052 3 Title: 6-Substituted 2,4-diaminopyrido[3,2-d]pyrimidine analogues of piritrexim as inhibitors of dihydrofolate reductase from rat liver, Pneumocystis carinii, and Toxoplasma gondii and as antitumor agents. Abstract: The synthesis and biological activity are reported for 21 6-substituted 2,4-diaminopyrido[3,2-d]pyrimidine analogues (4-24) of piritrexim (PTX) as inhibitors of dihydrofolate reductase (DHFR) and as antitumor agents. Recombinant DHFR from Pneumocystis carinii (pc) and native DHFR fro... aid7052.table aid7052.tbin
7053 1 Title: Pyrrolo[1,2-a]benzimidazole-based aziridinyl quinones. A new class of DNA cleaving agent exhibiting G and A base specificity. Abstract: Pyrrolo[1,2-a]benzimidazole(PBI)-based aziridinyl quinones cleave DNA under reducing conditions specifically at G + A bases without any significant cleavage at C + T bases. The postulated mechanisms involve phosphate alkylation by the reductively activated aziridine to afford a hydrolytically labile phosphotriester as well as the classic N(7) purine alkyl... aid7053.table aid7053.tbin
7054 2 Title: New synthetic inhibitors of microtubule depolymerization. Abstract: A new class of borneol esters that might be considered as biological analogs of paclitaxel regarding their action on microtubules has been found. By structure-activity optimizations, compounds stabilizing microtubules much better than paclitaxel while showing a remarkably reduced cytotoxic activity were obtained. This dissoziation will open completely new therapeutic areas. aid7054.table aid7054.tbin
7055 2 Title: Synthesis and biological evaluation of 5-[[3,5-bis(1,1-dimethylethyl)- 4-hydroxyphenyl]methylene]oxazoles, -thiazoles, and -imidazoles: novel dual 5-lipoxygenase and cyclooxygenase inhibitors with antiinflammatory activity. Abstract: A variety of benzylideneoxazoles, -thiazoles, and -imidazoles derived from 2,6-di-tert-butylphenol were prepared and evaluated as dual inhibitors of 5-lipoxygenase and cyclooxygenase in rat basophilic leukemia (RBL-1) cells. The target compounds exhibit varyi... aid7055.table aid7055.tbin
7056 2 Title: Synthesis and biological evaluation of 5-[[3,5-bis(1,1-dimethylethyl)- 4-hydroxyphenyl]methylene]oxazoles, -thiazoles, and -imidazoles: novel dual 5-lipoxygenase and cyclooxygenase inhibitors with antiinflammatory activity. Abstract: A variety of benzylideneoxazoles, -thiazoles, and -imidazoles derived from 2,6-di-tert-butylphenol were prepared and evaluated as dual inhibitors of 5-lipoxygenase and cyclooxygenase in rat basophilic leukemia (RBL-1) cells. The target compounds exhibit varyi... aid7056.table aid7056.tbin
7057 6 Title: Design, synthesis, and biological evaluation of conformationally constrained aci-reductone mimics of arachidonic acid. Abstract: An efficient and convergent synthesis has been developed for the production of 3,4-dihydroxy-5-[4-(2-((2Z)-hexenyl)phenyl)-3-(1Z)-but enyl]-2 (5H)-furanone (12d). This hydrophobic antioxidant is a stable conformationally constrained mimic of arachidonic acid (AA) (1) and its respective aci-reductone analogue (2). Pd(0)-catalyzed cross-coupling of 5-(3-butynyl)-3... aid7057.table aid7057.tbin
7058 26 Title: N-hydroxyurea and hydroxamic acid inhibitors of cyclooxygenase and 5-lipoxygenase. Abstract: Two series of compounds (1 and 2) having structural features of the dual COX/5-LO inhibitor tepoxalin and the 5-LO inhibitor ABT-761 were prepared. Many of these hybrid compounds are potent COX and 5-LO inhibitors; two compounds (1a and 2t) inhibit eicosanoid biosynthesis in an ex vivo assay. aid7058.table aid7058.tbin
7059 10 Title: N-hydroxyurea and hydroxamic acid inhibitors of cyclooxygenase and 5-lipoxygenase. Abstract: Two series of compounds (1 and 2) having structural features of the dual COX/5-LO inhibitor tepoxalin and the 5-LO inhibitor ABT-761 were prepared. Many of these hybrid compounds are potent COX and 5-LO inhibitors; two compounds (1a and 2t) inhibit eicosanoid biosynthesis in an ex vivo assay. aid7059.table aid7059.tbin
7060 1 Title: Antiinflammatory 4,5-diarylpyrroles: synthesis and QSAR. Abstract: A series of 2-substituted- and 2,3-disubstituted-4-(4-fluorophenyl)-5-[4-(methylsulfonyl)phenyl]-1H- pyrroles was synthesized and found to be active in the rat adjuvant arthritis model of inflammation. The most active compounds were the 2-halo derivatives in the order of chloro &gt; bromo &gt; iodo. The same pattern of activity was observed for the 2,3-dihalopyrroles. Quantitative structure-activity relationship studies su... aid7060.table aid7060.tbin
7061 10 Title: Novel caffeic acid derivatives: extremely potent inhibitors of 12-lipoxygenase. aid7061.table aid7061.tbin
7062 6 Title: Novel 1-(pyridylphenyl)-1-phenyl-2-imidazolylethanols with topical antiinflammatory activity. Abstract: The synthesis, biological evaluation, and structure-activity relationships of a series of 1-(pyridylphenyl)-1-phenyl-2-imidazolylethanols are described. These compounds show potent dose-dependent topical antiinflammatory activity in murine models of skin inflammation. This effect is likely due to inhibition of cytochrome P450 and consequent reduction in levels of 12R-HETE in the skin. T... aid7062.table aid7062.tbin
7063 3 Inhibitory activity against RBL broken cell-supematant 5-lipoxygenase was evaluated aid7063.table aid7063.tbin
7064 3 Inhibitory activity against intact rat PMNL, LTB4 5-lipoxygenase was evaluated aid7064.table aid7064.tbin
7065 30 Title: Bicyclic N-hydroxyurea inhibitors of 5-lipoxygenase: pharmacodynamic, pharmacokinetic, and in vitro metabolic studies characterizing N-hydroxy-N-(2,3-dihydro-6-(phenylmethoxy)-3-benzofuranyl)urea. Abstract: A series of N-hydroxyurea derivatives have been prepared and examined as inhibitors of 5-lipoxygenase. Oral activity was established by examining the inhibition of LTB4 biosynthesis in an ex vivo assay in the mouse. The pharmacodynamic performance in the mouse of selected compounds was... aid7065.table aid7065.tbin
7066 1 Inhibitory activity against rat basophilic leukemia cell 5-lipoxygenase aid7066.table aid7066.tbin
7067 1 Inhibitory activity against rat basophilic leukemia cell 5-lipoxygenase (5-LO) aid7067.table aid7067.tbin
7068 11 Inhibitory activity against 5-lipoxygenase in rat neutrophils as inhibition of A 23,187-induced LTB4 production aid7068.table aid7068.tbin
7069 8 Title: 1-substituted 4-aryl-5-pyridinylimidazoles: a new class of cytokine suppressive drugs with low 5-lipoxygenase and cyclooxygenase inhibitory potency. Abstract: A series of 1-alkyl- or -aryl-4-aryl-5-pyridinylimidazoles (A) were prepared and tested for their ability to bind to a recently discovered protein kinase termed CSBP and to inhibit lipopolysaccharide (LPS)-stimulated TNF production in mice. The kinase, CSBP, appears to be involved in a signaling cascade initiated by a number of infl... aid7069.table aid7069.tbin
7070 2 Title: N-[(arylmethoxy)phenyl] and N-[(arylmethoxy)naphthyl] sulfonamides: potent orally active leukotriene D4 antagonists of novel structure. Abstract: Two series of compounds, N-[(arylmethoxy)phenyl] sulfonamides and N-[(arylmethoxy)naphthyl] sulfonamides, were prepared as leukotriene D4 (LTD4) antagonists. In the phenyl series, N-[3-(2-quinolinylmethoxy)phenyl]-trifluoromethanesulfonamide (Wy-48,252, 16) was the most potent inhibitor of LTD4-induced bronchoconstriction in the guinea pig. With... aid7070.table aid7070.tbin
7071 23 Title: Differential effects of a series of hydroxamic acid derivatives on 5-lipoxygenase and cyclooxygenase from neutrophils and 12-lipoxygenase from platelets and their in vivo effects on inflammation and anaphylaxis. Abstract: The synthesis of a series of novel substituted hydroxamates has been described along with their profile of inhibitory activity against 5-lipoxygenase, 12-lipoxygenase, and cyclooxygenase enzymes. The structure--activity relationship suggests that future molecules could b... aid7071.table aid7071.tbin
7072 1 Title: Substituted thiopyrano[2,3,4-c,d]indoles as potent, selective, and orally active inhibitors of 5-lipoxygenase. Synthesis and biological evaluation of L-691,816. Abstract: Thiopyrano[2,3,4-c,d]indoles are a new class of 5-lipoxygenase (5-LO) inhibitors. SAR studies have demonstrated that the thiopyran ring, the 5-phenylpyridine substituent, and an acidic functional group on a four-carbon C-2 side chain are all required for optimal inhibitor potency. In contrast, the indolic nitrogen may be... aid7072.table aid7072.tbin
7073 4 Title: Design of 5-(3,5-di-tert-butyl-4-hydroxyphenyl)-1,3,4-thiadiazoles, -1,3,4-oxadiazoles, and -1,2,4-triazoles as orally-active, nonulcerogenic antiinflammatory agents. Abstract: To discover dual inhibitors of 5-lipoxygenase (LO) and cyclooxygenase (CO) with improved pharmacokinetic properties, we have designed and synthesized series of 1,2,4-triazole, 1,3,4-oxadiazole, and 1,3,4-thiadiazole di-tert-butylphenol derivatives which exhibit a wide range of log P (2.3 to &gt; 4) and pKa (5.5-12)... aid7073.table aid7073.tbin
7074 8 Tested for inhibition of 5-Lipoxygenase (ARBL) in calcium-stimulated rat basophilic leukemia cells(RBL-1) aid7074.table aid7074.tbin
7075 21 Title: Design of 5-(3,5-di-tert-butyl-4-hydroxyphenyl)-1,3,4-thiadiazoles, -1,3,4-oxadiazoles, and -1,2,4-triazoles as orally-active, nonulcerogenic antiinflammatory agents. Abstract: To discover dual inhibitors of 5-lipoxygenase (LO) and cyclooxygenase (CO) with improved pharmacokinetic properties, we have designed and synthesized series of 1,2,4-triazole, 1,3,4-oxadiazole, and 1,3,4-thiadiazole di-tert-butylphenol derivatives which exhibit a wide range of log P (2.3 to &gt; 4) and pKa (5.5-12)... aid7075.table aid7075.tbin
7076 5 Title: Novel dual inhibitors of 5-lipoxygenase and thromboxane A2 synthetase: synthesis and structure-activity relationships of 3-pyridylmethyl-substituted 2-amino-6-hydroxybenzothiazole derivatives. Abstract: As part of our search for novel antiinflammatory drug candidates, we have designed and synthesized a series of 3-pyridylmethyl-substituted 2-amino-6- hydroxybenzothiazoles. Introduction of a 3-pyridylmethyl group into the 2-amino group (type-A) or the benzene ring (type-B) of 2-amino-6-hyd... aid7076.table aid7076.tbin
7077 7 Tested for its inhibitory activity against 5-lipoxygenase aid7077.table aid7077.tbin
7078 1 Tested for its inhibitory activity against 5-lipoxygenase; Not determined aid7078.table aid7078.tbin
7079 23 Title: Penta- and hexadienoic acid derivatives: a novel series of 5-lipoxygenase inhibitors. Abstract: The synthesis of a series of pentadienoic and hexadienoic acid derivatives is reported. These compounds were tested as inhibitors of 5-lipoxygenase (5 LO) and cyclooxygenase (CO) in vitro and as inhibitors of arachidonic acid (AA) induced ear edema in mice in vivo. Their potency is compared with that of the standard inhibitors nafazatrom, BW 755C, NDGA, KME4, quercetine, and L 652,243. The most... aid7079.table aid7079.tbin
7080 41 Title: Substituted thiopyrano[2,3,4-c,d]indoles as potent, selective, and orally active inhibitors of 5-lipoxygenase. Synthesis and biological evaluation of L-691,816. Abstract: Thiopyrano[2,3,4-c,d]indoles are a new class of 5-lipoxygenase (5-LO) inhibitors. SAR studies have demonstrated that the thiopyran ring, the 5-phenylpyridine substituent, and an acidic functional group on a four-carbon C-2 side chain are all required for optimal inhibitor potency. In contrast, the indolic nitrogen may be... aid7080.table aid7080.tbin
7081 18 In vitro inhibition of 5-lipoxygenase activity in RBL-1 cells. aid7081.table aid7081.tbin
7082 1 The compound was evaluated in vitro for inhibition of 5-lipoxygenase activity in RBL-1 cells; No significant inhibitory activity up to 30 uM aid7082.table aid7082.tbin
7083 1 The compound was evaluated in vitro for inhibition of 5-lipoxygenase activity in RBL-1 cells. aid7083.table aid7083.tbin
7084 15 In vitro for inhibition of 5-lipoxygenase activity in RBL-1 cells. aid7084.table aid7084.tbin
7085 1 Title: 5-lipoxygenase: properties, pharmacology, and the quinolinyl(bridged)aryl class of inhibitors. Abstract: In conclusion, an effective modulator of the AA cascade for the treatment of asthma and other inflammatory diseases may require 5-LO inhibitory activity as well as LTD4 antagonism in order to limit the effects of LTB4, LTD4, and 5-HPETE. The unknown role of LTC4 with respect to bronchoconstriction and mucus production could mask the efficacy of a pure LTD4 antagonist in man, whereas th... aid7085.table aid7085.tbin
7086 1 Title: 5-lipoxygenase: properties, pharmacology, and the quinolinyl(bridged)aryl class of inhibitors. Abstract: In conclusion, an effective modulator of the AA cascade for the treatment of asthma and other inflammatory diseases may require 5-LO inhibitory activity as well as LTD4 antagonism in order to limit the effects of LTB4, LTD4, and 5-HPETE. The unknown role of LTC4 with respect to bronchoconstriction and mucus production could mask the efficacy of a pure LTD4 antagonist in man, whereas th... aid7086.table aid7086.tbin
7087 1 Title: 5-lipoxygenase: properties, pharmacology, and the quinolinyl(bridged)aryl class of inhibitors. Abstract: In conclusion, an effective modulator of the AA cascade for the treatment of asthma and other inflammatory diseases may require 5-LO inhibitory activity as well as LTD4 antagonism in order to limit the effects of LTB4, LTD4, and 5-HPETE. The unknown role of LTC4 with respect to bronchoconstriction and mucus production could mask the efficacy of a pure LTD4 antagonist in man, whereas th... aid7087.table aid7087.tbin
7088 8 Title: 5-lipoxygenase: properties, pharmacology, and the quinolinyl(bridged)aryl class of inhibitors. Abstract: In conclusion, an effective modulator of the AA cascade for the treatment of asthma and other inflammatory diseases may require 5-LO inhibitory activity as well as LTD4 antagonism in order to limit the effects of LTB4, LTD4, and 5-HPETE. The unknown role of LTC4 with respect to bronchoconstriction and mucus production could mask the efficacy of a pure LTD4 antagonist in man, whereas th... aid7088.table aid7088.tbin
7089 1 Title: 5-lipoxygenase: properties, pharmacology, and the quinolinyl(bridged)aryl class of inhibitors. Abstract: In conclusion, an effective modulator of the AA cascade for the treatment of asthma and other inflammatory diseases may require 5-LO inhibitory activity as well as LTD4 antagonism in order to limit the effects of LTB4, LTD4, and 5-HPETE. The unknown role of LTC4 with respect to bronchoconstriction and mucus production could mask the efficacy of a pure LTD4 antagonist in man, whereas th... aid7089.table aid7089.tbin
7090 1 Title: 5-lipoxygenase: properties, pharmacology, and the quinolinyl(bridged)aryl class of inhibitors. Abstract: In conclusion, an effective modulator of the AA cascade for the treatment of asthma and other inflammatory diseases may require 5-LO inhibitory activity as well as LTD4 antagonism in order to limit the effects of LTB4, LTD4, and 5-HPETE. The unknown role of LTC4 with respect to bronchoconstriction and mucus production could mask the efficacy of a pure LTD4 antagonist in man, whereas th... aid7090.table aid7090.tbin
7091 1 Title: 5-lipoxygenase: properties, pharmacology, and the quinolinyl(bridged)aryl class of inhibitors. Abstract: In conclusion, an effective modulator of the AA cascade for the treatment of asthma and other inflammatory diseases may require 5-LO inhibitory activity as well as LTD4 antagonism in order to limit the effects of LTB4, LTD4, and 5-HPETE. The unknown role of LTC4 with respect to bronchoconstriction and mucus production could mask the efficacy of a pure LTD4 antagonist in man, whereas th... aid7091.table aid7091.tbin
7092 1 Title: 5-lipoxygenase: properties, pharmacology, and the quinolinyl(bridged)aryl class of inhibitors. Abstract: In conclusion, an effective modulator of the AA cascade for the treatment of asthma and other inflammatory diseases may require 5-LO inhibitory activity as well as LTD4 antagonism in order to limit the effects of LTB4, LTD4, and 5-HPETE. The unknown role of LTC4 with respect to bronchoconstriction and mucus production could mask the efficacy of a pure LTD4 antagonist in man, whereas th... aid7092.table aid7092.tbin
7093 2 Title: 5-lipoxygenase: properties, pharmacology, and the quinolinyl(bridged)aryl class of inhibitors. Abstract: In conclusion, an effective modulator of the AA cascade for the treatment of asthma and other inflammatory diseases may require 5-LO inhibitory activity as well as LTD4 antagonism in order to limit the effects of LTB4, LTD4, and 5-HPETE. The unknown role of LTC4 with respect to bronchoconstriction and mucus production could mask the efficacy of a pure LTD4 antagonist in man, whereas th... aid7093.table aid7093.tbin
7094 3 Title: Development of 2,3-dihydro-6-(3-phenoxypropyl)-2-(2-phenylethyl)-5-benzofuranol (L-670,630) as a potent and orally active inhibitor of 5-lipoxygenase. Abstract: Leukotrienes are potent biological mediators of allergic and inflammatory diseases and are derived from arachidonic acid through the action of the 5-lipoxygenase. In this study, the syntheses and comparative biological activities of three series of 2,3-dihydro-2,6-disubstituted-5-benzofuranols with various substituents on position... aid7094.table aid7094.tbin
7095 16 Title: Development of 2,3-dihydro-6-(3-phenoxypropyl)-2-(2-phenylethyl)-5-benzofuranol (L-670,630) as a potent and orally active inhibitor of 5-lipoxygenase. Abstract: Leukotrienes are potent biological mediators of allergic and inflammatory diseases and are derived from arachidonic acid through the action of the 5-lipoxygenase. In this study, the syntheses and comparative biological activities of three series of 2,3-dihydro-2,6-disubstituted-5-benzofuranols with various substituents on position... aid7095.table aid7095.tbin
7096 65 Title: 4-hydroxythiazole inhibitors of 5-lipoxygenase. Abstract: 4-Hydroxythiazoles have been identified as potent inhibitors of 5-lipoxygenase in vitro exhibiting IC50's of less than 1 microM. An investigation of structure-activity relationships showed that the most potent inhibitors of this series are the 5-phenyl derivatives. The corresponding thiazolidin-4-one analogues were found to be relatively inactive. The 4-hydroxythiazoles were active inhibitors against 5-lipoxygenase in both intact r... aid7096.table aid7096.tbin
7097 1 Title: 4-hydroxythiazole inhibitors of 5-lipoxygenase. Abstract: 4-Hydroxythiazoles have been identified as potent inhibitors of 5-lipoxygenase in vitro exhibiting IC50's of less than 1 microM. An investigation of structure-activity relationships showed that the most potent inhibitors of this series are the 5-phenyl derivatives. The corresponding thiazolidin-4-one analogues were found to be relatively inactive. The 4-hydroxythiazoles were active inhibitors against 5-lipoxygenase in both intact r... aid7097.table aid7097.tbin
7098 1 Title: 4-hydroxythiazole inhibitors of 5-lipoxygenase. Abstract: 4-Hydroxythiazoles have been identified as potent inhibitors of 5-lipoxygenase in vitro exhibiting IC50's of less than 1 microM. An investigation of structure-activity relationships showed that the most potent inhibitors of this series are the 5-phenyl derivatives. The corresponding thiazolidin-4-one analogues were found to be relatively inactive. The 4-hydroxythiazoles were active inhibitors against 5-lipoxygenase in both intact r... aid7098.table aid7098.tbin
7099 12 Title: 4-hydroxythiazole inhibitors of 5-lipoxygenase. Abstract: 4-Hydroxythiazoles have been identified as potent inhibitors of 5-lipoxygenase in vitro exhibiting IC50's of less than 1 microM. An investigation of structure-activity relationships showed that the most potent inhibitors of this series are the 5-phenyl derivatives. The corresponding thiazolidin-4-one analogues were found to be relatively inactive. The 4-hydroxythiazoles were active inhibitors against 5-lipoxygenase in both intact r... aid7099.table aid7099.tbin
7100 6 The compound was tested for the inhibition of 5-lipoxygenase in intact basophilic rat leukemia cells aid7100.table aid7100.tbin
7101 113 Title: Structure-activity relationships of N-hydroxyurea 5-lipoxygenase inhibitors. Abstract: The discovery of second generation N-hydroxyurea 5-lipoxygenase inhibitors was accomplished through the development of a broad structure-activity relationship (SAR) study. This study identified requirements for improving potency and also extending duration by limiting metabolism. Potency could be maintained by the incorporation of heterocyclic templates substituted with selected lipophilic substituents.... aid7101.table aid7101.tbin
7102 1 Title: Synthesis, chemical, and biological properties of vinylogous hydroxamic acids: dual inhibitors of 5-lipoxygenase and IL-1 biosynthesis. Abstract: Vinylogous hydroxamic acids (3-(N-hydroxy-N-alkylamino)-2-propen-1-ones, VHA) were prepared as antiinflammatory agents. The synthesis, chemical properties, and in vitro biological activities of these relatively unexplored compounds are described. The VHAs were prepared by condensation of the appropriate N-substituted hydroxylamine with any of th... aid7102.table aid7102.tbin
7103 4 Title: 2-substituted-1-naphthols as potent 5-lipoxygenase inhibitors with topical antiinflammatory activity. Abstract: The synthesis, biological evaluation, and structure-activity relationships of a series of 1-naphthols bearing carbon substituents at the 2-position are described. These compounds are potent inhibitors of the 5-lipoxygenase from RBL-1 cells and also inhibit bovine seminal vesicle cyclooxygenase. Structure-activity relationships for these two enzymes are different, implying specif... aid7103.table aid7103.tbin
7104 2 Compound was evaluated for its inhibitory activity against 5-LO (5-lipoxygenase) at 10 uM concentration in intact RBL-1 cell line assay aid7104.table aid7104.tbin
7105 1 Compound was evaluated for its inhibitory activity against 5-LO (5-lipoxygenase) at 10 uM concentration in intact RBL-1 cell line assay; Less than 5% inhibition at 10 uM reported as not active aid7105.table aid7105.tbin
7106 1 Title: Structural requirements for the inhibition of 5-lipoxygenase by 15-hydroxyeicosa-5,8,11,13-tetraenoic acid analogues. Abstract: The structural requirements for inhibition of RBL-1 (rat basophilic leukemia) 5-lipoxygenase by 15-hydroxyeicosa-5,8,11,13-tetraenoic acid (15-HETE, 1) were studied by systematic chemical modifications of the molecule at the hydroxyl and carboxyl groups, the double bonds, and the carboxylate and omega side chains. The most potent inhibitors were analogues that co... aid7106.table aid7106.tbin
7107 14 Title: Structural requirements for the inhibition of 5-lipoxygenase by 15-hydroxyeicosa-5,8,11,13-tetraenoic acid analogues. Abstract: The structural requirements for inhibition of RBL-1 (rat basophilic leukemia) 5-lipoxygenase by 15-hydroxyeicosa-5,8,11,13-tetraenoic acid (15-HETE, 1) were studied by systematic chemical modifications of the molecule at the hydroxyl and carboxyl groups, the double bonds, and the carboxylate and omega side chains. The most potent inhibitors were analogues that co... aid7107.table aid7107.tbin
7108 4 Title: Structural requirements for the inhibition of 5-lipoxygenase by 15-hydroxyeicosa-5,8,11,13-tetraenoic acid analogues. Abstract: The structural requirements for inhibition of RBL-1 (rat basophilic leukemia) 5-lipoxygenase by 15-hydroxyeicosa-5,8,11,13-tetraenoic acid (15-HETE, 1) were studied by systematic chemical modifications of the molecule at the hydroxyl and carboxyl groups, the double bonds, and the carboxylate and omega side chains. The most potent inhibitors were analogues that co... aid7108.table aid7108.tbin
7109 6 Title: Structural requirements for the inhibition of 5-lipoxygenase by 15-hydroxyeicosa-5,8,11,13-tetraenoic acid analogues. Abstract: The structural requirements for inhibition of RBL-1 (rat basophilic leukemia) 5-lipoxygenase by 15-hydroxyeicosa-5,8,11,13-tetraenoic acid (15-HETE, 1) were studied by systematic chemical modifications of the molecule at the hydroxyl and carboxyl groups, the double bonds, and the carboxylate and omega side chains. The most potent inhibitors were analogues that co... aid7109.table aid7109.tbin
7110 3 Title: Structural requirements for the inhibition of 5-lipoxygenase by 15-hydroxyeicosa-5,8,11,13-tetraenoic acid analogues. Abstract: The structural requirements for inhibition of RBL-1 (rat basophilic leukemia) 5-lipoxygenase by 15-hydroxyeicosa-5,8,11,13-tetraenoic acid (15-HETE, 1) were studied by systematic chemical modifications of the molecule at the hydroxyl and carboxyl groups, the double bonds, and the carboxylate and omega side chains. The most potent inhibitors were analogues that co... aid7110.table aid7110.tbin
7111 1 Title: Structural requirements for the inhibition of 5-lipoxygenase by 15-hydroxyeicosa-5,8,11,13-tetraenoic acid analogues. Abstract: The structural requirements for inhibition of RBL-1 (rat basophilic leukemia) 5-lipoxygenase by 15-hydroxyeicosa-5,8,11,13-tetraenoic acid (15-HETE, 1) were studied by systematic chemical modifications of the molecule at the hydroxyl and carboxyl groups, the double bonds, and the carboxylate and omega side chains. The most potent inhibitors were analogues that co... aid7111.table aid7111.tbin
7112 1 Title: Structural requirements for the inhibition of 5-lipoxygenase by 15-hydroxyeicosa-5,8,11,13-tetraenoic acid analogues. Abstract: The structural requirements for inhibition of RBL-1 (rat basophilic leukemia) 5-lipoxygenase by 15-hydroxyeicosa-5,8,11,13-tetraenoic acid (15-HETE, 1) were studied by systematic chemical modifications of the molecule at the hydroxyl and carboxyl groups, the double bonds, and the carboxylate and omega side chains. The most potent inhibitors were analogues that co... aid7112.table aid7112.tbin
7113 1 Title: Structural requirements for the inhibition of 5-lipoxygenase by 15-hydroxyeicosa-5,8,11,13-tetraenoic acid analogues. Abstract: The structural requirements for inhibition of RBL-1 (rat basophilic leukemia) 5-lipoxygenase by 15-hydroxyeicosa-5,8,11,13-tetraenoic acid (15-HETE, 1) were studied by systematic chemical modifications of the molecule at the hydroxyl and carboxyl groups, the double bonds, and the carboxylate and omega side chains. The most potent inhibitors were analogues that co... aid7113.table aid7113.tbin
7114 2 Title: Novel 1,2,4-oxadiazoles and 1,2,4-thiadiazoles as dual 5-lipoxygenase and cyclooxygenase inhibitors. Abstract: A series of 1,2,4-oxadiazoles and 1,2,4-thiadiazoles containing a 2,6-di-tert-butylphenol substituent were prepared and evaluated as dual inhibitors of 5-lipoxygenase and cyclooxygenase in rat basophilic leukemia (RBL-1) cells. Several of these compounds show oral efficacy in the rat carrageenan footpad edema (CFE) and mycobacterium footpad edema (MFE) antiinflammatory models, wi... aid7114.table aid7114.tbin
7115 2 In vitro inhibition of 5-lipoxygenase; NS means no significant inhibition aid7115.table aid7115.tbin
7116 10 Title: Synthesis of [[(naphthalenylmethoxy)- and [[(quinolinylmethoxy)phenyl]amino]oxoalkanoic acid esters. A novel series of leukotriene D4 antagonists and 5-lipoxygenase inhibitors. Abstract: A series of novel [[(naphthalenylmethoxy)- and [[(quinolinylmethoxy)phenyl]amino]oxoalkanoic acid esters have been prepared. These compounds were tested as inhibitors of rat polymorphonuclear leukocyte (PMN) 5-lipoxygenase (LO) in vitro and as inhibitors of ovalbumin (OA) and leukotriene D4 (LTD4) induced... aid7116.table aid7116.tbin
7117 19 Inhibitory activity against 5-lipoxygenase enzyme from RBL-1 cells at 20 uM aid7117.table aid7117.tbin
7118 1 Title: 3,4-Dihydroxychalcones as potent 5-lipoxygenase and cyclooxygenase inhibitors. Abstract: A novel series of 3,4-dihydroxychalcones was synthesized to evaluate their effects against 5-lipoxygenase and cyclooxygenase. Almost all compounds exhibited potent inhibitory effects on 5-lipoxygenase with antioxidative effects, and some also inhibited cyclooxygenase. The 2',5'-disubstituted 3,4-dihydroxychalcones with hydroxy or alkoxy groups exhibited optimal inhibition of cyclooxygenase. We found t... aid7118.table aid7118.tbin
7119 2 Title: 3,4-Dihydroxychalcones as potent 5-lipoxygenase and cyclooxygenase inhibitors. Abstract: A novel series of 3,4-dihydroxychalcones was synthesized to evaluate their effects against 5-lipoxygenase and cyclooxygenase. Almost all compounds exhibited potent inhibitory effects on 5-lipoxygenase with antioxidative effects, and some also inhibited cyclooxygenase. The 2',5'-disubstituted 3,4-dihydroxychalcones with hydroxy or alkoxy groups exhibited optimal inhibition of cyclooxygenase. We found t... aid7119.table aid7119.tbin
7120 1 Title: 3,4-Dihydroxychalcones as potent 5-lipoxygenase and cyclooxygenase inhibitors. Abstract: A novel series of 3,4-dihydroxychalcones was synthesized to evaluate their effects against 5-lipoxygenase and cyclooxygenase. Almost all compounds exhibited potent inhibitory effects on 5-lipoxygenase with antioxidative effects, and some also inhibited cyclooxygenase. The 2',5'-disubstituted 3,4-dihydroxychalcones with hydroxy or alkoxy groups exhibited optimal inhibition of cyclooxygenase. We found t... aid7120.table aid7120.tbin
7121 2 Title: Novel 1H-benzimidazol-4-ols with potent 5-lipoxygenase inhibitory activity. Abstract: The synthesis and structure--activity profile of 2-substituted benzimidazol-4-ols as inhibitors of cell-free RBL-1 5-lipoxygenase are discussed, and their potency is compared with that of the standard inhibitors phenidone, AA 861, BW 755C, and nordihydroguaiaretic acid. In contrast to the standard compounds, most did not inhibit the release of slow-reacting substance of anaphylaxis (SRS-A) in vivo when a... aid7121.table aid7121.tbin
7122 1 Title: Synthesis and 5-lipoxygenase inhibitory activity of 5-hydroperoxy-6,8,11,14-eicosatetraenoic acid analogues. Abstract: A series of eicosatetraenes (2-24) were designed, synthesized, and evaluated in vitro for inhibitory activity against 5-lipoxygenase (20000g supernatant from homogenized rat basophilic leukemia cells). All compounds were found to be active with the potencies (IC50's) ranging from 0.19 to 97 microM. Compounds containing the hydroxamic acid functionality (10-12) exhibited t... aid7122.table aid7122.tbin
7123 2 In vitro inhibitory activity against 5-lipoxygenase was determined at 16 uM aid7123.table aid7123.tbin
7124 1 In vitro inhibitory activity against 5-lipoxygenase was determined at 16 uM aid7124.table aid7124.tbin
7125 1 Title: N-Aminoindoline derivatives as inhibitors of 5-lipoxygenase. Abstract: N-Aminoindoline derivatives were prepared and their 5-lipoxygenase inhibitory activities were evaluated in vitro and compared with those of phenidone and NDGA. Compound 4 presents the most effective 5-LO inhibition. aid7125.table aid7125.tbin
7126 2 Title: N-hydroxyurea and hydroxamic acid inhibitors of cyclooxygenase and 5-lipoxygenase. Abstract: Two series of compounds (1 and 2) having structural features of the dual COX/5-LO inhibitor tepoxalin and the 5-LO inhibitor ABT-761 were prepared. Many of these hybrid compounds are potent COX and 5-LO inhibitors; two compounds (1a and 2t) inhibit eicosanoid biosynthesis in an ex vivo assay. aid7126.table aid7126.tbin
7127 1 Title: Design, synthesis, and 5-lipoxygenase-inhibiting properties of 1-thio-substituted butadienes. Abstract: The synthesis of novel 1-thio-substituted butadienes, designed as mechanism-based 5-lipoxygenase inhibitors, is described. The structure of these compounds closely resembles a proposed high-energy intermediate during the lipoxygenation of arachidonic acid. They demonstrate 5-lipoxygenase inhibition in vitro and in vivo. The most potent compound is 15a with an IC50 of 1.8 microM in vitro... aid7127.table aid7127.tbin
7128 1 Title: Design, synthesis, and 5-lipoxygenase-inhibiting properties of 1-thio-substituted butadienes. Abstract: The synthesis of novel 1-thio-substituted butadienes, designed as mechanism-based 5-lipoxygenase inhibitors, is described. The structure of these compounds closely resembles a proposed high-energy intermediate during the lipoxygenation of arachidonic acid. They demonstrate 5-lipoxygenase inhibition in vitro and in vivo. The most potent compound is 15a with an IC50 of 1.8 microM in vitro... aid7128.table aid7128.tbin
7129 2 Title: Design, synthesis, and 5-lipoxygenase-inhibiting properties of 1-thio-substituted butadienes. Abstract: The synthesis of novel 1-thio-substituted butadienes, designed as mechanism-based 5-lipoxygenase inhibitors, is described. The structure of these compounds closely resembles a proposed high-energy intermediate during the lipoxygenation of arachidonic acid. They demonstrate 5-lipoxygenase inhibition in vitro and in vivo. The most potent compound is 15a with an IC50 of 1.8 microM in vitro... aid7129.table aid7129.tbin
7130 1 Title: Synthesis and biological evaluation of 5-[[3,5-bis(1,1-dimethylethyl)- 4-hydroxyphenyl]methylene]oxazoles, -thiazoles, and -imidazoles: novel dual 5-lipoxygenase and cyclooxygenase inhibitors with antiinflammatory activity. Abstract: A variety of benzylideneoxazoles, -thiazoles, and -imidazoles derived from 2,6-di-tert-butylphenol were prepared and evaluated as dual inhibitors of 5-lipoxygenase and cyclooxygenase in rat basophilic leukemia (RBL-1) cells. The target compounds exhibit varyi... aid7130.table aid7130.tbin
7131 13 Title: Design, synthesis, and biological evaluation of conformationally constrained aci-reductone mimics of arachidonic acid. Abstract: An efficient and convergent synthesis has been developed for the production of 3,4-dihydroxy-5-[4-(2-((2Z)-hexenyl)phenyl)-3-(1Z)-but enyl]-2 (5H)-furanone (12d). This hydrophobic antioxidant is a stable conformationally constrained mimic of arachidonic acid (AA) (1) and its respective aci-reductone analogue (2). Pd(0)-catalyzed cross-coupling of 5-(3-butynyl)-3... aid7131.table aid7131.tbin
7132 1 Title: Design, synthesis, and biological evaluation of conformationally constrained aci-reductone mimics of arachidonic acid. Abstract: An efficient and convergent synthesis has been developed for the production of 3,4-dihydroxy-5-[4-(2-((2Z)-hexenyl)phenyl)-3-(1Z)-but enyl]-2 (5H)-furanone (12d). This hydrophobic antioxidant is a stable conformationally constrained mimic of arachidonic acid (AA) (1) and its respective aci-reductone analogue (2). Pd(0)-catalyzed cross-coupling of 5-(3-butynyl)-3... aid7132.table aid7132.tbin
7133 4 Title: N-hydroxyurea and hydroxamic acid inhibitors of cyclooxygenase and 5-lipoxygenase. Abstract: Two series of compounds (1 and 2) having structural features of the dual COX/5-LO inhibitor tepoxalin and the 5-LO inhibitor ABT-761 were prepared. Many of these hybrid compounds are potent COX and 5-LO inhibitors; two compounds (1a and 2t) inhibit eicosanoid biosynthesis in an ex vivo assay. aid7133.table aid7133.tbin
7134 13 Title: N-hydroxyurea and hydroxamic acid inhibitors of cyclooxygenase and 5-lipoxygenase. Abstract: Two series of compounds (1 and 2) having structural features of the dual COX/5-LO inhibitor tepoxalin and the 5-LO inhibitor ABT-761 were prepared. Many of these hybrid compounds are potent COX and 5-LO inhibitors; two compounds (1a and 2t) inhibit eicosanoid biosynthesis in an ex vivo assay. aid7134.table aid7134.tbin
7135 2 Title: Synthesis and biological evaluation of 5-[[3,5-bis(1,1-dimethylethyl)- 4-hydroxyphenyl]methylene]oxazoles, -thiazoles, and -imidazoles: novel dual 5-lipoxygenase and cyclooxygenase inhibitors with antiinflammatory activity. Abstract: A variety of benzylideneoxazoles, -thiazoles, and -imidazoles derived from 2,6-di-tert-butylphenol were prepared and evaluated as dual inhibitors of 5-lipoxygenase and cyclooxygenase in rat basophilic leukemia (RBL-1) cells. The target compounds exhibit varyi... aid7135.table aid7135.tbin
7136 1 Title: Synthesis and biological evaluation of 5-[[3,5-bis(1,1-dimethylethyl)- 4-hydroxyphenyl]methylene]oxazoles, -thiazoles, and -imidazoles: novel dual 5-lipoxygenase and cyclooxygenase inhibitors with antiinflammatory activity. Abstract: A variety of benzylideneoxazoles, -thiazoles, and -imidazoles derived from 2,6-di-tert-butylphenol were prepared and evaluated as dual inhibitors of 5-lipoxygenase and cyclooxygenase in rat basophilic leukemia (RBL-1) cells. The target compounds exhibit varyi... aid7136.table aid7136.tbin
7137 1 Title: Differential effects of a series of hydroxamic acid derivatives on 5-lipoxygenase and cyclooxygenase from neutrophils and 12-lipoxygenase from platelets and their in vivo effects on inflammation and anaphylaxis. Abstract: The synthesis of a series of novel substituted hydroxamates has been described along with their profile of inhibitory activity against 5-lipoxygenase, 12-lipoxygenase, and cyclooxygenase enzymes. The structure--activity relationship suggests that future molecules could b... aid7137.table aid7137.tbin
7138 2 Title: Differential effects of a series of hydroxamic acid derivatives on 5-lipoxygenase and cyclooxygenase from neutrophils and 12-lipoxygenase from platelets and their in vivo effects on inflammation and anaphylaxis. Abstract: The synthesis of a series of novel substituted hydroxamates has been described along with their profile of inhibitory activity against 5-lipoxygenase, 12-lipoxygenase, and cyclooxygenase enzymes. The structure--activity relationship suggests that future molecules could b... aid7138.table aid7138.tbin
7139 1 Title: Differential effects of a series of hydroxamic acid derivatives on 5-lipoxygenase and cyclooxygenase from neutrophils and 12-lipoxygenase from platelets and their in vivo effects on inflammation and anaphylaxis. Abstract: The synthesis of a series of novel substituted hydroxamates has been described along with their profile of inhibitory activity against 5-lipoxygenase, 12-lipoxygenase, and cyclooxygenase enzymes. The structure--activity relationship suggests that future molecules could b... aid7139.table aid7139.tbin
7140 1 Title: Differential effects of a series of hydroxamic acid derivatives on 5-lipoxygenase and cyclooxygenase from neutrophils and 12-lipoxygenase from platelets and their in vivo effects on inflammation and anaphylaxis. Abstract: The synthesis of a series of novel substituted hydroxamates has been described along with their profile of inhibitory activity against 5-lipoxygenase, 12-lipoxygenase, and cyclooxygenase enzymes. The structure--activity relationship suggests that future molecules could b... aid7140.table aid7140.tbin
7141 42 Title: Substituted arylmethyl phenyl ethers. 1. A novel series of 5-lipoxygenase inhibitors and leukotriene antagonists. Abstract: A series of new substituted arylmethyl phenyl ethers has been prepared. These compounds were tested as inhibitors of 5-lipoxygenase (5-LO) in rat neutrophils, in vitro antagonists of leukotriene-induced contraction of guinea pig (GP) lung parenchymal strips, and inhibitors of slow reacting substance of anaphylaxis (SRS-A) mediated bronchospasm in the GP in vivo. Most... aid7141.table aid7141.tbin
7142 1 Title: Substituted arylmethyl phenyl ethers. 1. A novel series of 5-lipoxygenase inhibitors and leukotriene antagonists. Abstract: A series of new substituted arylmethyl phenyl ethers has been prepared. These compounds were tested as inhibitors of 5-lipoxygenase (5-LO) in rat neutrophils, in vitro antagonists of leukotriene-induced contraction of guinea pig (GP) lung parenchymal strips, and inhibitors of slow reacting substance of anaphylaxis (SRS-A) mediated bronchospasm in the GP in vivo. Most... aid7142.table aid7142.tbin
7143 2 Title: Substituted thiopyrano[2,3,4-c,d]indoles as potent, selective, and orally active inhibitors of 5-lipoxygenase. Synthesis and biological evaluation of L-691,816. Abstract: Thiopyrano[2,3,4-c,d]indoles are a new class of 5-lipoxygenase (5-LO) inhibitors. SAR studies have demonstrated that the thiopyran ring, the 5-phenylpyridine substituent, and an acidic functional group on a four-carbon C-2 side chain are all required for optimal inhibitor potency. In contrast, the indolic nitrogen may be... aid7143.table aid7143.tbin
7144 1 The compound was evaluated in vitro for inhibition of 5-lipoxygenase activity in RBL-1 cells at 100 uM aid7144.table aid7144.tbin
7145 2 The compound was evaluated in vitro for inhibition of 5-lipoxygenase activity in RBL-1 cells at 30 uM aid7145.table aid7145.tbin
7146 1 Title: 5-lipoxygenase: properties, pharmacology, and the quinolinyl(bridged)aryl class of inhibitors. Abstract: In conclusion, an effective modulator of the AA cascade for the treatment of asthma and other inflammatory diseases may require 5-LO inhibitory activity as well as LTD4 antagonism in order to limit the effects of LTB4, LTD4, and 5-HPETE. The unknown role of LTC4 with respect to bronchoconstriction and mucus production could mask the efficacy of a pure LTD4 antagonist in man, whereas th... aid7146.table aid7146.tbin
7147 1 Title: 5-lipoxygenase: properties, pharmacology, and the quinolinyl(bridged)aryl class of inhibitors. Abstract: In conclusion, an effective modulator of the AA cascade for the treatment of asthma and other inflammatory diseases may require 5-LO inhibitory activity as well as LTD4 antagonism in order to limit the effects of LTB4, LTD4, and 5-HPETE. The unknown role of LTC4 with respect to bronchoconstriction and mucus production could mask the efficacy of a pure LTD4 antagonist in man, whereas th... aid7147.table aid7147.tbin
7148 1 Title: 5-lipoxygenase: properties, pharmacology, and the quinolinyl(bridged)aryl class of inhibitors. Abstract: In conclusion, an effective modulator of the AA cascade for the treatment of asthma and other inflammatory diseases may require 5-LO inhibitory activity as well as LTD4 antagonism in order to limit the effects of LTB4, LTD4, and 5-HPETE. The unknown role of LTC4 with respect to bronchoconstriction and mucus production could mask the efficacy of a pure LTD4 antagonist in man, whereas th... aid7148.table aid7148.tbin
7149 1 Title: 5-lipoxygenase: properties, pharmacology, and the quinolinyl(bridged)aryl class of inhibitors. Abstract: In conclusion, an effective modulator of the AA cascade for the treatment of asthma and other inflammatory diseases may require 5-LO inhibitory activity as well as LTD4 antagonism in order to limit the effects of LTB4, LTD4, and 5-HPETE. The unknown role of LTC4 with respect to bronchoconstriction and mucus production could mask the efficacy of a pure LTD4 antagonist in man, whereas th... aid7149.table aid7149.tbin
7150 1 Title: 5-lipoxygenase: properties, pharmacology, and the quinolinyl(bridged)aryl class of inhibitors. Abstract: In conclusion, an effective modulator of the AA cascade for the treatment of asthma and other inflammatory diseases may require 5-LO inhibitory activity as well as LTD4 antagonism in order to limit the effects of LTB4, LTD4, and 5-HPETE. The unknown role of LTC4 with respect to bronchoconstriction and mucus production could mask the efficacy of a pure LTD4 antagonist in man, whereas th... aid7150.table aid7150.tbin
7151 1 Title: 5-lipoxygenase: properties, pharmacology, and the quinolinyl(bridged)aryl class of inhibitors. Abstract: In conclusion, an effective modulator of the AA cascade for the treatment of asthma and other inflammatory diseases may require 5-LO inhibitory activity as well as LTD4 antagonism in order to limit the effects of LTB4, LTD4, and 5-HPETE. The unknown role of LTC4 with respect to bronchoconstriction and mucus production could mask the efficacy of a pure LTD4 antagonist in man, whereas th... aid7151.table aid7151.tbin
7152 3 Title: 4-hydroxythiazole inhibitors of 5-lipoxygenase. Abstract: 4-Hydroxythiazoles have been identified as potent inhibitors of 5-lipoxygenase in vitro exhibiting IC50's of less than 1 microM. An investigation of structure-activity relationships showed that the most potent inhibitors of this series are the 5-phenyl derivatives. The corresponding thiazolidin-4-one analogues were found to be relatively inactive. The 4-hydroxythiazoles were active inhibitors against 5-lipoxygenase in both intact r... aid7152.table aid7152.tbin
7153 1 Title: 4-hydroxythiazole inhibitors of 5-lipoxygenase. Abstract: 4-Hydroxythiazoles have been identified as potent inhibitors of 5-lipoxygenase in vitro exhibiting IC50's of less than 1 microM. An investigation of structure-activity relationships showed that the most potent inhibitors of this series are the 5-phenyl derivatives. The corresponding thiazolidin-4-one analogues were found to be relatively inactive. The 4-hydroxythiazoles were active inhibitors against 5-lipoxygenase in both intact r... aid7153.table aid7153.tbin
7154 2 Title: 4-hydroxythiazole inhibitors of 5-lipoxygenase. Abstract: 4-Hydroxythiazoles have been identified as potent inhibitors of 5-lipoxygenase in vitro exhibiting IC50's of less than 1 microM. An investigation of structure-activity relationships showed that the most potent inhibitors of this series are the 5-phenyl derivatives. The corresponding thiazolidin-4-one analogues were found to be relatively inactive. The 4-hydroxythiazoles were active inhibitors against 5-lipoxygenase in both intact r... aid7154.table aid7154.tbin
7155 6 Title: 4-hydroxythiazole inhibitors of 5-lipoxygenase. Abstract: 4-Hydroxythiazoles have been identified as potent inhibitors of 5-lipoxygenase in vitro exhibiting IC50's of less than 1 microM. An investigation of structure-activity relationships showed that the most potent inhibitors of this series are the 5-phenyl derivatives. The corresponding thiazolidin-4-one analogues were found to be relatively inactive. The 4-hydroxythiazoles were active inhibitors against 5-lipoxygenase in both intact r... aid7155.table aid7155.tbin
7156 3 Title: 4-hydroxythiazole inhibitors of 5-lipoxygenase. Abstract: 4-Hydroxythiazoles have been identified as potent inhibitors of 5-lipoxygenase in vitro exhibiting IC50's of less than 1 microM. An investigation of structure-activity relationships showed that the most potent inhibitors of this series are the 5-phenyl derivatives. The corresponding thiazolidin-4-one analogues were found to be relatively inactive. The 4-hydroxythiazoles were active inhibitors against 5-lipoxygenase in both intact r... aid7156.table aid7156.tbin
7157 1 The compound was tested for the inhibition of 5-lipoxygenase in intact basophilic rat leukemia cells at 1.0 uM aid7157.table aid7157.tbin
7158 1 The compound was tested for the inhibition of 5-lipoxygenase in intact basophilic rat leukemia cells at 10 uM aid7158.table aid7158.tbin
7159 1 Title: Structure-activity relationships of N-hydroxyurea 5-lipoxygenase inhibitors. Abstract: The discovery of second generation N-hydroxyurea 5-lipoxygenase inhibitors was accomplished through the development of a broad structure-activity relationship (SAR) study. This study identified requirements for improving potency and also extending duration by limiting metabolism. Potency could be maintained by the incorporation of heterocyclic templates substituted with selected lipophilic substituents.... aid7159.table aid7159.tbin
7160 1 Title: Structure-activity relationships of N-hydroxyurea 5-lipoxygenase inhibitors. Abstract: The discovery of second generation N-hydroxyurea 5-lipoxygenase inhibitors was accomplished through the development of a broad structure-activity relationship (SAR) study. This study identified requirements for improving potency and also extending duration by limiting metabolism. Potency could be maintained by the incorporation of heterocyclic templates substituted with selected lipophilic substituents.... aid7160.table aid7160.tbin
7161 1 Title: Structure-activity relationships of N-hydroxyurea 5-lipoxygenase inhibitors. Abstract: The discovery of second generation N-hydroxyurea 5-lipoxygenase inhibitors was accomplished through the development of a broad structure-activity relationship (SAR) study. This study identified requirements for improving potency and also extending duration by limiting metabolism. Potency could be maintained by the incorporation of heterocyclic templates substituted with selected lipophilic substituents.... aid7161.table aid7161.tbin
7162 1 Title: Structure-activity relationships of N-hydroxyurea 5-lipoxygenase inhibitors. Abstract: The discovery of second generation N-hydroxyurea 5-lipoxygenase inhibitors was accomplished through the development of a broad structure-activity relationship (SAR) study. This study identified requirements for improving potency and also extending duration by limiting metabolism. Potency could be maintained by the incorporation of heterocyclic templates substituted with selected lipophilic substituents.... aid7162.table aid7162.tbin
7163 1 Title: Structure-activity relationships of N-hydroxyurea 5-lipoxygenase inhibitors. Abstract: The discovery of second generation N-hydroxyurea 5-lipoxygenase inhibitors was accomplished through the development of a broad structure-activity relationship (SAR) study. This study identified requirements for improving potency and also extending duration by limiting metabolism. Potency could be maintained by the incorporation of heterocyclic templates substituted with selected lipophilic substituents.... aid7163.table aid7163.tbin
7164 2 Title: Structure-activity relationships of N-hydroxyurea 5-lipoxygenase inhibitors. Abstract: The discovery of second generation N-hydroxyurea 5-lipoxygenase inhibitors was accomplished through the development of a broad structure-activity relationship (SAR) study. This study identified requirements for improving potency and also extending duration by limiting metabolism. Potency could be maintained by the incorporation of heterocyclic templates substituted with selected lipophilic substituents.... aid7164.table aid7164.tbin
7165 1 Title: Structure-activity relationships of N-hydroxyurea 5-lipoxygenase inhibitors. Abstract: The discovery of second generation N-hydroxyurea 5-lipoxygenase inhibitors was accomplished through the development of a broad structure-activity relationship (SAR) study. This study identified requirements for improving potency and also extending duration by limiting metabolism. Potency could be maintained by the incorporation of heterocyclic templates substituted with selected lipophilic substituents.... aid7165.table aid7165.tbin
7166 1 Title: Structure-activity relationships of N-hydroxyurea 5-lipoxygenase inhibitors. Abstract: The discovery of second generation N-hydroxyurea 5-lipoxygenase inhibitors was accomplished through the development of a broad structure-activity relationship (SAR) study. This study identified requirements for improving potency and also extending duration by limiting metabolism. Potency could be maintained by the incorporation of heterocyclic templates substituted with selected lipophilic substituents.... aid7166.table aid7166.tbin
7167 1 Title: Structure-activity relationships of N-hydroxyurea 5-lipoxygenase inhibitors. Abstract: The discovery of second generation N-hydroxyurea 5-lipoxygenase inhibitors was accomplished through the development of a broad structure-activity relationship (SAR) study. This study identified requirements for improving potency and also extending duration by limiting metabolism. Potency could be maintained by the incorporation of heterocyclic templates substituted with selected lipophilic substituents.... aid7167.table aid7167.tbin
7168 7 Title: Structure-activity relationships of N-hydroxyurea 5-lipoxygenase inhibitors. Abstract: The discovery of second generation N-hydroxyurea 5-lipoxygenase inhibitors was accomplished through the development of a broad structure-activity relationship (SAR) study. This study identified requirements for improving potency and also extending duration by limiting metabolism. Potency could be maintained by the incorporation of heterocyclic templates substituted with selected lipophilic substituents.... aid7168.table aid7168.tbin
7169 1 Title: Differential effects of a series of hydroxamic acid derivatives on 5-lipoxygenase and cyclooxygenase from neutrophils and 12-lipoxygenase from platelets and their in vivo effects on inflammation and anaphylaxis. Abstract: The synthesis of a series of novel substituted hydroxamates has been described along with their profile of inhibitory activity against 5-lipoxygenase, 12-lipoxygenase, and cyclooxygenase enzymes. The structure--activity relationship suggests that future molecules could b... aid7169.table aid7169.tbin
7170 1 Title: Hydroxamic acid inhibitors of 5-lipoxygenase. Abstract: The hydroxamic acid functionality can be incorporated in a variety of simple molecules to produce potent inhibitors of 5-lipoxygenase. As an example of this, the structure-activity relationships in a series of omega-phenylalkyl and omega-naphthylalkyl hydroxamic acids are presented. Among the features described are the influence of hydrophobicity, aryl substitution, and modifications of the hydroxamate group on enzyme inhibitory pote... aid7170.table aid7170.tbin
7171 1 Title: N-Aminoindoline derivatives as inhibitors of 5-lipoxygenase. Abstract: N-Aminoindoline derivatives were prepared and their 5-lipoxygenase inhibitory activities were evaluated in vitro and compared with those of phenidone and NDGA. Compound 4 presents the most effective 5-LO inhibition. aid7171.table aid7171.tbin
7172 6 Title: N-Aminoindoline derivatives as inhibitors of 5-lipoxygenase. Abstract: N-Aminoindoline derivatives were prepared and their 5-lipoxygenase inhibitory activities were evaluated in vitro and compared with those of phenidone and NDGA. Compound 4 presents the most effective 5-LO inhibition. aid7172.table aid7172.tbin
7173 3 Title: 1,3,4-Oxadiazole, 1,3,4-thiadiazole, and 1,2,4-triazole analogs of the fenamates: in vitro inhibition of cyclooxygenase and 5-lipoxygenase activities. Abstract: N-Arylanthranilic acids, known generically as the fenamates, are nonsteroidal antiinflammatory drugs (NSAIDs) that block the metabolism of arachidonic acid by the enzyme cyclooxygenase (CO). Substitution of the carboxylic acid functionality of several fenamates with acidic heterocycles provided dual inhibitors of CO and 5-lipoxyge... aid7173.table aid7173.tbin
7174 2 Title: 1,3,4-Oxadiazole, 1,3,4-thiadiazole, and 1,2,4-triazole analogs of the fenamates: in vitro inhibition of cyclooxygenase and 5-lipoxygenase activities. Abstract: N-Arylanthranilic acids, known generically as the fenamates, are nonsteroidal antiinflammatory drugs (NSAIDs) that block the metabolism of arachidonic acid by the enzyme cyclooxygenase (CO). Substitution of the carboxylic acid functionality of several fenamates with acidic heterocycles provided dual inhibitors of CO and 5-lipoxyge... aid7174.table aid7174.tbin
7175 5 Title: 1,3,4-Oxadiazole, 1,3,4-thiadiazole, and 1,2,4-triazole analogs of the fenamates: in vitro inhibition of cyclooxygenase and 5-lipoxygenase activities. Abstract: N-Arylanthranilic acids, known generically as the fenamates, are nonsteroidal antiinflammatory drugs (NSAIDs) that block the metabolism of arachidonic acid by the enzyme cyclooxygenase (CO). Substitution of the carboxylic acid functionality of several fenamates with acidic heterocycles provided dual inhibitors of CO and 5-lipoxyge... aid7175.table aid7175.tbin
7176 1 Title: Differential effects of a series of hydroxamic acid derivatives on 5-lipoxygenase and cyclooxygenase from neutrophils and 12-lipoxygenase from platelets and their in vivo effects on inflammation and anaphylaxis. Abstract: The synthesis of a series of novel substituted hydroxamates has been described along with their profile of inhibitory activity against 5-lipoxygenase, 12-lipoxygenase, and cyclooxygenase enzymes. The structure--activity relationship suggests that future molecules could b... aid7176.table aid7176.tbin
7177 2 Title: Hydroxamic acid inhibitors of 5-lipoxygenase. Abstract: The hydroxamic acid functionality can be incorporated in a variety of simple molecules to produce potent inhibitors of 5-lipoxygenase. As an example of this, the structure-activity relationships in a series of omega-phenylalkyl and omega-naphthylalkyl hydroxamic acids are presented. Among the features described are the influence of hydrophobicity, aryl substitution, and modifications of the hydroxamate group on enzyme inhibitory pote... aid7177.table aid7177.tbin
7178 2 Title: Hydroxamic acid inhibitors of 5-lipoxygenase. Abstract: The hydroxamic acid functionality can be incorporated in a variety of simple molecules to produce potent inhibitors of 5-lipoxygenase. As an example of this, the structure-activity relationships in a series of omega-phenylalkyl and omega-naphthylalkyl hydroxamic acids are presented. Among the features described are the influence of hydrophobicity, aryl substitution, and modifications of the hydroxamate group on enzyme inhibitory pote... aid7178.table aid7178.tbin
7179 2 Title: Hydroxamic acid inhibitors of 5-lipoxygenase. Abstract: The hydroxamic acid functionality can be incorporated in a variety of simple molecules to produce potent inhibitors of 5-lipoxygenase. As an example of this, the structure-activity relationships in a series of omega-phenylalkyl and omega-naphthylalkyl hydroxamic acids are presented. Among the features described are the influence of hydrophobicity, aryl substitution, and modifications of the hydroxamate group on enzyme inhibitory pote... aid7179.table aid7179.tbin
7180 4 Title: Hydroxamic acid inhibitors of 5-lipoxygenase. Abstract: The hydroxamic acid functionality can be incorporated in a variety of simple molecules to produce potent inhibitors of 5-lipoxygenase. As an example of this, the structure-activity relationships in a series of omega-phenylalkyl and omega-naphthylalkyl hydroxamic acids are presented. Among the features described are the influence of hydrophobicity, aryl substitution, and modifications of the hydroxamate group on enzyme inhibitory pote... aid7180.table aid7180.tbin
7181 1 The compound was evaluated in vitro for inhibition of 5-lipoxygenase activity in RBL-1 cells at 20 uM aid7181.table aid7181.tbin
7182 3 Title: 5-lipoxygenase: properties, pharmacology, and the quinolinyl(bridged)aryl class of inhibitors. Abstract: In conclusion, an effective modulator of the AA cascade for the treatment of asthma and other inflammatory diseases may require 5-LO inhibitory activity as well as LTD4 antagonism in order to limit the effects of LTB4, LTD4, and 5-HPETE. The unknown role of LTC4 with respect to bronchoconstriction and mucus production could mask the efficacy of a pure LTD4 antagonist in man, whereas th... aid7182.table aid7182.tbin
7183 3 Title: Hydroxamic acid inhibitors of 5-lipoxygenase: quantitative structure-activity relationships. Abstract: An evaluation of the quantitative structure-activity relationships (QSAR) for more than 100 hydroxamic acids revealed that the primary physicochemical feature influencing the in vitro 5-lipoxygenase inhibitory potencies of these compounds is the hydrophobicity of the molecule. A significant correlation was observed between the octanol-water partition coefficient of the substituent attach... aid7183.table aid7183.tbin
7184 107 Title: Hydroxamic acid inhibitors of 5-lipoxygenase: quantitative structure-activity relationships. Abstract: An evaluation of the quantitative structure-activity relationships (QSAR) for more than 100 hydroxamic acids revealed that the primary physicochemical feature influencing the in vitro 5-lipoxygenase inhibitory potencies of these compounds is the hydrophobicity of the molecule. A significant correlation was observed between the octanol-water partition coefficient of the substituent attach... aid7184.table aid7184.tbin
7185 110 Title: Hydroxamic acid inhibitors of 5-lipoxygenase: quantitative structure-activity relationships. Abstract: An evaluation of the quantitative structure-activity relationships (QSAR) for more than 100 hydroxamic acids revealed that the primary physicochemical feature influencing the in vitro 5-lipoxygenase inhibitory potencies of these compounds is the hydrophobicity of the molecule. A significant correlation was observed between the octanol-water partition coefficient of the substituent attach... aid7185.table aid7185.tbin
7186 1 Title: Design, synthesis, and biological evaluation of conformationally constrained aci-reductone mimics of arachidonic acid. Abstract: An efficient and convergent synthesis has been developed for the production of 3,4-dihydroxy-5-[4-(2-((2Z)-hexenyl)phenyl)-3-(1Z)-but enyl]-2 (5H)-furanone (12d). This hydrophobic antioxidant is a stable conformationally constrained mimic of arachidonic acid (AA) (1) and its respective aci-reductone analogue (2). Pd(0)-catalyzed cross-coupling of 5-(3-butynyl)-3... aid7186.table aid7186.tbin
7187 1 Title: Hydroxamic acid inhibitors of 5-lipoxygenase. Abstract: The hydroxamic acid functionality can be incorporated in a variety of simple molecules to produce potent inhibitors of 5-lipoxygenase. As an example of this, the structure-activity relationships in a series of omega-phenylalkyl and omega-naphthylalkyl hydroxamic acids are presented. Among the features described are the influence of hydrophobicity, aryl substitution, and modifications of the hydroxamate group on enzyme inhibitory pote... aid7187.table aid7187.tbin
7188 16 Title: Design, synthesis, and evaluation of novel 2-substituted 3-hydroxypyridin-4-ones: structure-activity investigation of metalloenzyme inhibition by iron chelators. Abstract: A range of novel 3-hydroxypyridin-4-ones with different R(2) substitutents has been synthesized for the investigation of the structure-activity relationship between the chemical nature of the ligand and the inhibitory activity of the iron-containing metalloenzyme 5-lipoxygenase. Results indicate that the molecular dimen... aid7188.table aid7188.tbin
7189 18 In vitro inhibition of 5-Lipoxygenase; Inactive. aid7189.table aid7189.tbin
7190 1 Title: A facile synthesis of 1-ethoxy-4-cyano-5-ethoxycarbonyl-3H-azuleno[1,2-c]pyran-3-one, a selective 15-lipoxygenase inhibitor. Abstract: A facile method to synthesize 1-ethoxy-4-cyano-5-ethoxycarbonyl-3H-azuleno[1,2-c]pyran-3-one, in yield of 92%, which showed selective inhibition effect on 15-lipoxygenase(soybean source) at IC(50)=24.2+/-2.7 microM while no inhibition effect was observed at greater than 300 microM on 5-lipoxygenase, lipid peroxidase, phospholipase A(2), protein kinase C, a... aid7190.table aid7190.tbin
7191 1 Title: A facile synthesis of 1-ethoxy-4-cyano-5-ethoxycarbonyl-3H-azuleno[1,2-c]pyran-3-one, a selective 15-lipoxygenase inhibitor. Abstract: A facile method to synthesize 1-ethoxy-4-cyano-5-ethoxycarbonyl-3H-azuleno[1,2-c]pyran-3-one, in yield of 92%, which showed selective inhibition effect on 15-lipoxygenase(soybean source) at IC(50)=24.2+/-2.7 microM while no inhibition effect was observed at greater than 300 microM on 5-lipoxygenase, lipid peroxidase, phospholipase A(2), protein kinase C, a... aid7191.table aid7191.tbin
7192 7 Title: A study of novel antiallergic agents with eosinophilic infiltration inhibiting action. Abstract: The antiallergic action of a series of novel mono-O-substituted trimethylhydroquinones was investigated. Among this series of the compounds, 4-[4-[4-(diphenylmethyl)-1-piperazinyl]butoxy]-2,3,6- trimethylphenol (compound 3) showed a potent antihistaminic action (pA2 = 7.11) and an antiasthmatic action (100 mg/kg. p.o) on sensitized guinea pigs. Moreover, this compound exhibited a strong eosino... aid7192.table aid7192.tbin
7193 32 Inhibitory activity against 5-lipoxygenase. aid7193.table aid7193.tbin
7194 2 Inhibitory Activity against 5-Lipoxygenase was determined; IA=Inactive aid7194.table aid7194.tbin
7195 1 Inhibitory Activity against 5-Lipoxygenase was determined; IA=Inactive at concentrations less than 32 uM aid7195.table aid7195.tbin
7196 1 Inhibitory Activity against 5-Lipoxygenase was determined; NA=No significant inhibitory activity up to 300 uM aid7196.table aid7196.tbin
7197 1 Title: Antipsoriatic anthrones with modulated redox properties. 2. Novel derivatives of chrysarobin and isochrysarobin--antiproliferative activity and 5-lipoxygenase inhibition. Abstract: A novel series of 2- and 3-substituted 1,8-dihydroxy-9(10H)-anthracenones were synthesized and tested for their inhibitory activity against 5-lipoxygenase (5-LO) in bovine polymorphonuclear leukocytes and the growth of human keratinocytes. Structure-activity relationships are discussed with respect to the follo... aid7197.table aid7197.tbin
7198 1 Title: Synthesis and preliminary pharmacological evaluation of coumestans with different patterns of oxygenation. Abstract: Five coumestans with different patterns of oxygenation in rings A and D were synthesized from resorcinol and aromatic aldehydes, and screened for their antimyotoxic activity. The most potent compound (2b, IC50 = 1 microM) was selected for study of its pharmacological profile. aid7198.table aid7198.tbin
7199 1 Compound was tested for its inhibitory activity against 5-lipoxygenase aid7199.table aid7199.tbin
7200 1 Compound was tested for inhibition of 5-lipoxygenase at 50 uM; NI means no inhibition was observed aid7200.table aid7200.tbin
7201 1 Inhibitory Activity against 5-Lipoxygenase at 30 uM was determined; Weakly active aid7201.table aid7201.tbin
7202 1 Inhibitory Activity against 5-Lipoxygenase at concentration 32 uM was determined aid7202.table aid7202.tbin
7203 1 Title: (E)-3-[6-[[(2,6-dichlorophenyl)thio]methyl]-3-(2-phenylethoxy)-2- pyridinyl]-2-propenoic acid: a high-affinity leukotriene B4 receptor antagonist with oral antiinflammatory activity. Abstract: An extensive structure-activity study based around the high-affinity leukotriene B4 (LTB4) receptor antagonist SB 201146 (1) led to the identification of (E)-3-[6-[[(2,6-dichlorophenyl)-thio]methyl]-3-(2-phenylethoxy)-2- pyridinyl]-2-propenoic acid (3). This compound displays high affinity for the h... aid7203.table aid7203.tbin
7204 1 Title: Syntheses of 5,7,8- and 5,6,7-trioxygenated 3-alkyl-3',4'-dihydroxyflavones and their inhibitory activities against arachidonate 5-lipoxygenase. Abstract: 5,6,7- and 5,7,8-Trioxygenated 3',4'-dihydroxyflavones were derivatized by introducing alkyl groups of various chain lengths at the 3-position of the flavone skeleton. These compounds were tested as inhibitors for arachidonate 5-lipoxygenase purified from porcine leukocytes. Modification of the 3-position with an alkyl group of 6-10 car... aid7204.table aid7204.tbin
7205 6 Compound was tested for its binding activity towards 5-lipoxygenase activating protein (FLAP) aid7205.table aid7205.tbin
7206 7 Title: Thiopyranol[2,3,4-c,d]indoles as inhibitors of 5-lipoxygenase, 5-lipoxygenase-activating protein, and leukotriene C4 synthase. Abstract: The attachment of an arylacetic or benzoic acid moiety to the thiopyrano[2,3,4-c,d]indole nucleus results in compounds which are highly potent and selective 5-lipoxygenase (5-LO) inhibitors. These compounds are structurally simpler than previous compounds of similar potency in that they contain a single chiral center. From the data presented, 2-[[1-(3-ch... aid7206.table aid7206.tbin
7207 1 Title: Substituted indoles as potent and orally active 5-lipoxygenase activating protein (FLAP) inhibitors. Abstract: This paper reports on the SAR investigation of inhibitors of 5-lipoxygenase activating protein (FLAP) based on MK-0591. Emphasis was made on modifications to the nature of the link between the indole and the quinoline moieties, to the substitution pattern around the two heterocycles and to possible replacements of the quinoline moiety. Lead optimization culminated in (3-[1-(4-chl... aid7207.table aid7207.tbin
7208 33 Title: Substituted indoles as potent and orally active 5-lipoxygenase activating protein (FLAP) inhibitors. Abstract: This paper reports on the SAR investigation of inhibitors of 5-lipoxygenase activating protein (FLAP) based on MK-0591. Emphasis was made on modifications to the nature of the link between the indole and the quinoline moieties, to the substitution pattern around the two heterocycles and to possible replacements of the quinoline moiety. Lead optimization culminated in (3-[1-(4-chl... aid7208.table aid7208.tbin
7209 4 Title: Substituted thiopyrano[2,3,4-c,d]indoles as potent, selective, and orally active inhibitors of 5-lipoxygenase. Synthesis and biological evaluation of L-691,816. Abstract: Thiopyrano[2,3,4-c,d]indoles are a new class of 5-lipoxygenase (5-LO) inhibitors. SAR studies have demonstrated that the thiopyran ring, the 5-phenylpyridine substituent, and an acidic functional group on a four-carbon C-2 side chain are all required for optimal inhibitor potency. In contrast, the indolic nitrogen may be... aid7209.table aid7209.tbin
7210 1 The compound was tested for the inhibition of binding of [125I]- L- 691,831 binding to 5-lipoxygenase activating protein aid7210.table aid7210.tbin
7211 3 The compound was tested for the inhibition of binding of [125I]- L- 691,831 binding to 5-lipoxygenase activating protein (FLAP) aid7211.table aid7211.tbin
7212 1 Title: Modulators of leukotriene biosynthesis and receptor activation. aid7212.table aid7212.tbin
7213 1 Title: Deoxygenated inositol 1,4,5-trisphosphate analogues and their interaction with metabolic enzymes. (1R,2R,4R)-cyclohexane-1,2,4-tris(methylenesulfonate): a potent selective 5-phosphatase inhibitor. aid7213.table aid7213.tbin
7214 4 Title: Deoxygenated inositol 1,4,5-trisphosphate analogues and their interaction with metabolic enzymes. (1R,2R,4R)-cyclohexane-1,2,4-tris(methylenesulfonate): a potent selective 5-phosphatase inhibitor. aid7214.table aid7214.tbin
7215 4 Title: Deoxygenated inositol 1,4,5-trisphosphate analogues and their interaction with metabolic enzymes. (1R,2R,4R)-cyclohexane-1,2,4-tris(methylenesulfonate): a potent selective 5-phosphatase inhibitor. aid7215.table aid7215.tbin
7216 1 Inhibition of protein biosynthesis at the level of the peptidyl transferase center of the 50 s ribosomal subunit aid7216.table aid7216.tbin
7217 1 Title: Synthesis and photodynamic action of diphenyl-2,3-dihydroxychlorin: a potential tumor photosensitizer. Abstract: The synthesis, photophysical properties of diphenyl-2,3-dihydroxychlorin (DPCOH) and its photocytotoxicity to tumor cells are described. DPCOH exhibits photodynamic activity in terms of type I and type II mechanisms under irradiation. The quantum yield of (1)O(2) in CHCl(3) is 0.7. For the photocytotoxicity to tumor cells, DPCOH proved to be 200 times more potent than HPD, and ... aid7217.table aid7217.tbin
7218 9 Title: Novel C-ring analogues of 20(S)-camptothecin. Part 3: synthesis and their in vitro cytotoxicity of A-, B- and C-ring analogues. Abstract: Several 5-substituted alkoxy 20(S)-camptothecin analogues having A- and B-ring substituents were prepared via semi-synthesis. Most of these compounds were found to exhibit potent anti-cancer activity based on their in vitro cytotoxicity data obtained against human tumor cell lines. aid7218.table aid7218.tbin
7219 14 Title: Synthesis, X-ray crystal structures, stabilities, and in vitro cytotoxic activities of new heteroarylacrylonitriles. Abstract: Twenty-three acrylonitriles, substituted at position 2 with either triazoles or benzimidazoles and at position 3 with various substituted furan, thiophene, or phenyl rings, were prepared by Knoevenagel condensation and tested for in vitro cytotoxic potency on 11 human cancer cell lines. X-ray crystal analysis of two representative compounds showed that the olfenic... aid7219.table aid7219.tbin
7220 8 Title: Derivatives of the new ring system indolo[1,2-c]benzo[1,2,3]triazine with potent antitumor and antimicrobial activity. Abstract: Derivatives of the new ring system indolo[1,2-c]benzo[1,2,3]triazine 5 were synthesized by diazotization of substituted 2-(2-aminophenyl)indoles followed by an intramolecular coupling reaction of the diazonium group with the indole nitrogen. To obtain the indolobenzotriazine system it was necessary to protect the 3 position of the indole nucleus to avoid cycliza... aid7220.table aid7220.tbin
7221 7 Title: Synthesis, structure, and antiproliferative activity of selenophenfurin, an inosine 5'-monophosphate dehydrogenase inhibitor analogue of selenazofurin. Abstract: The synthesis and biological activity of selenophenfurin (5-beta-D-ribofuranosylselenophene-3-carboxamide, 1), the selenophene analogue of selenazofurin, are described. Glycosylation of ethyl selenophene-3-carboxylate (6) under stannic chloride-catalyzed conditions gave 2- and 5-glycosylated regioisomers, as a mixture of alpha- a... aid7221.table aid7221.tbin
7222 19 Title: Synthesis, X-ray crystal structures, stabilities, and in vitro cytotoxic activities of new heteroarylacrylonitriles. Abstract: Twenty-three acrylonitriles, substituted at position 2 with either triazoles or benzimidazoles and at position 3 with various substituted furan, thiophene, or phenyl rings, were prepared by Knoevenagel condensation and tested for in vitro cytotoxic potency on 11 human cancer cell lines. X-ray crystal analysis of two representative compounds showed that the olfenic... aid7222.table aid7222.tbin
7223 17 Title: Antitumor agents. 2. Synthesis, structure-activity relationships, and biological evaluation of substituted 5H-pyridophenoxazin-5-ones with potent antiproliferative activity. Abstract: New antiproliferative compounds, 5H-pyrido[3,2-a]phenoxazin-5-ones (1-10), 5H-benzophenoxazin-5-one (11), 5H-pyrido[2,3-a]phenoxazin-5-one (12), 5H-pyrido[3,4-a]phenoxazin-5-one (13), and 5H-pyrido[4,3-a]phenoxazin-5-one (14), were synthesized and evaluated against representative human neoplastic cell lines.... aid7223.table aid7223.tbin
7224 3 Title: Antitumor agents. 1. Synthesis, biological evaluation, and molecular modeling of 5H-pyrido[3,2-a]phenoxazin-5-one, a compound with potent antiproliferative activity. Abstract: The iminoquinone is an important moiety of a large number of antineoplastic drugs and plays a significant role in the nucleus of actinomycins, powerful, highly toxic, natural antibiotics that target DNA as intercalating agents. A series of polycyclic iminoquinonic compounds, 2-amino-3H-phenoxazin-3-one (1), 2-amino-... aid7224.table aid7224.tbin
7225 1 Title: Antitumor agents. 1. Synthesis, biological evaluation, and molecular modeling of 5H-pyrido[3,2-a]phenoxazin-5-one, a compound with potent antiproliferative activity. Abstract: The iminoquinone is an important moiety of a large number of antineoplastic drugs and plays a significant role in the nucleus of actinomycins, powerful, highly toxic, natural antibiotics that target DNA as intercalating agents. A series of polycyclic iminoquinonic compounds, 2-amino-3H-phenoxazin-3-one (1), 2-amino-... aid7225.table aid7225.tbin
7226 11 Title: Synthesis, characterization, and structure-activity relationships of amidine-substituted (bis)benzylidene-cycloketone olefin isomers as potent and selective factor Xa inhibitors. Abstract: Factor Xa (FXa) is a trypsin-like serine protease that plays a key role in blood coagulation linking the intrinsic and extrinsic pathways to the final common pathway of the coagulation cascade. During our initial studies, we observed facile photochemical conversion of the known FXa/tPA inhibitor, BABCH ... aid7226.table aid7226.tbin
7227 9 Title: 4-[3-(5,6,7,8-Tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)phenyl]benzoic acid and heterocyclic-bridged analogues are novel retinoic acid receptor subtype and retinoid X receptor alpha agonists. Abstract: Aromatic retinoids having a meta-substituted aromatic ring bridge, such as 4-[3-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)phenyl]benzo ic acid and its 3,5-diaryl-substituted 4,5-dihydroisoxazole analogue, function as retinoid receptor panagonists by activating both retinoic... aid7227.table aid7227.tbin
7228 1 Title: Tetrahydrothienopyridylbutyl-tetrahydrobenzindoles: new selective ligands of the 5-HT(7) receptor. Abstract: The synthesis and the affinity for the 5-HT(7) receptor and other receptors of a novel series of fused-ring tetrahydropyridine derivatives are described. Some of the compounds showed high affinity for the 5-HT(7) receptor. Tetrahydrothienopyridylbutyl-tetrahydrobenzindoles and are potent ligands for the 5-HT(7) receptor, with high selectivity over the 5-HT(2) receptor and other rec... aid7228.table aid7228.tbin
7229 31 Title: Novel antagonists of the 5-HT3 receptor. Synthesis and structure-activity relationships of (2-alkoxybenzoyl)ureas. Abstract: A series of benzoylureas derived from bicycle amines were prepared and evaluated for 5-HT3 antagonist activity on the rat isolated vagus nerve. From among these compounds, those analogues which were ortho substituted by an alkoxy group on the benzoyl function were shown to be potent 5-HT3 antagonists with similar or greater potency than the standard agent ondansetro... aid7229.table aid7229.tbin
7230 3 Title: Amesergide and structurally related nor-D-ergolines: 5HT2 receptor interactions in the rat. Abstract: A series of tricyclic (nor-D) partial ergolines were synthesized via a highly convergent enantiospecific strategy, ultimately arising from a racemic tricyclic ketone. Michael addition to an acrylamide, followed by reductive methylation, afforded the key intermediate. Selective deprotection and oxidation provided the tricyclic ergoline. Vascular 5HT2 receptor interactions for the partial e... aid7230.table aid7230.tbin
7231 1 Title: Tetrahydrothienopyridylbutyl-tetrahydrobenzindoles: new selective ligands of the 5-HT(7) receptor. Abstract: The synthesis and the affinity for the 5-HT(7) receptor and other receptors of a novel series of fused-ring tetrahydropyridine derivatives are described. Some of the compounds showed high affinity for the 5-HT(7) receptor. Tetrahydrothienopyridylbutyl-tetrahydrobenzindoles and are potent ligands for the 5-HT(7) receptor, with high selectivity over the 5-HT(2) receptor and other rec... aid7231.table aid7231.tbin
7232 3 Title: Stereoisomers of ketoconazole: preparation and biological activity. Abstract: The four stereoisomers of the antifungal agent ketoconazole (1) were prepared and evaluated for their selectivity in inhibiting a number of cytochrome P-450 enzymes. Large differences in selectivity among the isomers were observed for inhibition of the cytochromes P-450 involved in steroid biosynthesis, whereas little differences was observed for inhibition of those associated with hepatic drug metabolism. The c... aid7232.table aid7232.tbin
7233 1 Title: Stereoisomers of ketoconazole: preparation and biological activity. Abstract: The four stereoisomers of the antifungal agent ketoconazole (1) were prepared and evaluated for their selectivity in inhibiting a number of cytochrome P-450 enzymes. Large differences in selectivity among the isomers were observed for inhibition of the cytochromes P-450 involved in steroid biosynthesis, whereas little differences was observed for inhibition of those associated with hepatic drug metabolism. The c... aid7233.table aid7233.tbin
7234 1 In vitro anticancer activity against 6 NCI ovarian cancer cell lines; inactive aid7234.table aid7234.tbin
7235 2 In vitro anticancer activity against 6 NCI ovarian cancer cell lines; inactive aid7235.table aid7235.tbin
7236 11 Title: Selective inhibition of Trypanosoma brucei 6-phosphogluconate dehydrogenase by high-energy intermediate and transition-state analogues. Abstract: Two series of compounds were designed to mimic the transition state and high-energy intermediates (HEI) of the enzymatic reaction of 6-phosphogluconate dehydrogenase (6PGDH). Sulfoxide analogues (7-11) were designed to mimic the transition state during the oxidation of the substrate to 3-keto-6-phosphogluconate, an enzyme-bound intermediate of t... aid7236.table aid7236.tbin
7237 4 Title: Selective inhibition of Trypanosoma brucei 6-phosphogluconate dehydrogenase by high-energy intermediate and transition-state analogues. Abstract: Two series of compounds were designed to mimic the transition state and high-energy intermediates (HEI) of the enzymatic reaction of 6-phosphogluconate dehydrogenase (6PGDH). Sulfoxide analogues (7-11) were designed to mimic the transition state during the oxidation of the substrate to 3-keto-6-phosphogluconate, an enzyme-bound intermediate of t... aid7237.table aid7237.tbin
7238 11 Title: Selective inhibition of Trypanosoma brucei 6-phosphogluconate dehydrogenase by high-energy intermediate and transition-state analogues. Abstract: Two series of compounds were designed to mimic the transition state and high-energy intermediates (HEI) of the enzymatic reaction of 6-phosphogluconate dehydrogenase (6PGDH). Sulfoxide analogues (7-11) were designed to mimic the transition state during the oxidation of the substrate to 3-keto-6-phosphogluconate, an enzyme-bound intermediate of t... aid7238.table aid7238.tbin
7239 4 Title: Selective inhibition of Trypanosoma brucei 6-phosphogluconate dehydrogenase by high-energy intermediate and transition-state analogues. Abstract: Two series of compounds were designed to mimic the transition state and high-energy intermediates (HEI) of the enzymatic reaction of 6-phosphogluconate dehydrogenase (6PGDH). Sulfoxide analogues (7-11) were designed to mimic the transition state during the oxidation of the substrate to 3-keto-6-phosphogluconate, an enzyme-bound intermediate of t... aid7239.table aid7239.tbin
7240 1 Title: SMall Molecule Growth 2001 (SMoG2001): an improved knowledge-based scoring function for protein-ligand interactions. Abstract: Computational lead design procedures require fast and accurate scoring functions to rank millions of generated virtual ligands for protein targets. In this article, we present an improved version of the SMoG scoring function, called SMoG2001. This function is based on a knowledge-based approach-that is, the free energy parameters are derived from the observed freq... aid7240.table aid7240.tbin
7241 6 Title: Microwave-assisted [6+4]-cycloaddition of fulvenes and alpha-pyrones to azulene-indoles: facile syntheses of novel antineoplastic agents. Abstract: A microwave-enhanced [6+4]-cycloaddition reaction between 6-aminofulvene and pyrones followed by CO(2) extrusion provides azulene-indoles which display interesting antineoplastic activity. aid7241.table aid7241.tbin
7242 9 Title: 2-Substituted paullones: CDK1/cyclin B-inhibiting property and in vitro antiproliferative activity. Abstract: 9-Trifluoromethyl-paullones with a carbon chain in the 2-position were synthesized by palladium-catalyzed coupling reactions of a 2-iodoprecursor with terminal alkenes or alkynes, respectively. The introduction of a 2-cyanoethyl substituent led to a significant enhancement of CDK1/cyclin B inhibiting property and in vitro antiproliferative activity. aid7242.table aid7242.tbin
7243 1 Title: Aziridinyl quinone antitumor agents based on indoles and cyclopent[b]indoles: structure-activity relationships for cytotoxicity and antitumor activity. Abstract: A large number of aziridinyl quinones represented by series 1-9 were studied with respect to their DT-diaphorase substrate activity, DNA reductive alkylation, cytostatic/cytotoxic activity, and in vivo activity. As a result, generalizations have been made with respect with respect to the following: DT-diaphorase substrate design,... aid7243.table aid7243.tbin
7244 14 Title: Aziridinyl quinone antitumor agents based on indoles and cyclopent[b]indoles: structure-activity relationships for cytotoxicity and antitumor activity. Abstract: A large number of aziridinyl quinones represented by series 1-9 were studied with respect to their DT-diaphorase substrate activity, DNA reductive alkylation, cytostatic/cytotoxic activity, and in vivo activity. As a result, generalizations have been made with respect with respect to the following: DT-diaphorase substrate design,... aid7244.table aid7244.tbin
7245 27 Title: 4-Substituted 4-hydroxycyclohexa-2,5-dien-1-ones with selective activities against colon and renal cancer cell lines. Abstract: The synthesis and antitumor evaluation of a series of new heteroaromatic- and aromatic-substituted hydroxycyclohexadienones (&quot;quinols&quot;), and their imine counterparts, are described. The quinols were synthesized via the addition of a lithiated aromatic moiety to a quinone ketal followed by deprotection. When the aromatic portion of the molecule is a fuse... aid7245.table aid7245.tbin
7246 27 Title: 4-Substituted 4-hydroxycyclohexa-2,5-dien-1-ones with selective activities against colon and renal cancer cell lines. Abstract: The synthesis and antitumor evaluation of a series of new heteroaromatic- and aromatic-substituted hydroxycyclohexadienones (&quot;quinols&quot;), and their imine counterparts, are described. The quinols were synthesized via the addition of a lithiated aromatic moiety to a quinone ketal followed by deprotection. When the aromatic portion of the molecule is a fuse... aid7246.table aid7246.tbin
7247 27 Title: 4-Substituted 4-hydroxycyclohexa-2,5-dien-1-ones with selective activities against colon and renal cancer cell lines. Abstract: The synthesis and antitumor evaluation of a series of new heteroaromatic- and aromatic-substituted hydroxycyclohexadienones (&quot;quinols&quot;), and their imine counterparts, are described. The quinols were synthesized via the addition of a lithiated aromatic moiety to a quinone ketal followed by deprotection. When the aromatic portion of the molecule is a fuse... aid7247.table aid7247.tbin
7248 27 Title: 4-Substituted 4-hydroxycyclohexa-2,5-dien-1-ones with selective activities against colon and renal cancer cell lines. Abstract: The synthesis and antitumor evaluation of a series of new heteroaromatic- and aromatic-substituted hydroxycyclohexadienones (&quot;quinols&quot;), and their imine counterparts, are described. The quinols were synthesized via the addition of a lithiated aromatic moiety to a quinone ketal followed by deprotection. When the aromatic portion of the molecule is a fuse... aid7248.table aid7248.tbin
7249 2 Title: Casein kinase II inhibitors isolated from two Brazilian plants Hymenaea parvifolia and Wulffia baccata. Abstract: Two dihydroflavonol rhamnosides (1 and 2) isolated from the bark of Hymenaea parvifolia and two pentacyclic triterpenoids (3 and 6) obtained from the leaves of Wulffia baccata have been found to exhibit inhibitory effects of casein kinase II (CK-II) dose-dependently, suggesting that at higher doses more than 10 microM, these four compounds may act as potent CK-II suppressors o... aid7249.table aid7249.tbin
7250 2 Title: Casein kinase II inhibitors isolated from two Brazilian plants Hymenaea parvifolia and Wulffia baccata. Abstract: Two dihydroflavonol rhamnosides (1 and 2) isolated from the bark of Hymenaea parvifolia and two pentacyclic triterpenoids (3 and 6) obtained from the leaves of Wulffia baccata have been found to exhibit inhibitory effects of casein kinase II (CK-II) dose-dependently, suggesting that at higher doses more than 10 microM, these four compounds may act as potent CK-II suppressors o... aid7250.table aid7250.tbin
7251 1 Title: sp2-bridged diaryl retinoids: effects of bridge-region substitution on retinoid X receptor (RXR) selectivity. Abstract: RXR class selectivity and RXR transcriptional activation activity compared to those for the retinoic acid receptor subtypes were enhanced on the 4-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenylethenyl)be nzoic acid scaffold and its 3-methyl analogue by replacing their 1,1-ethenyl bridge by a 1,1-(2-methylpropenyl) or cyclopropylidenylmethylene group. aid7251.table aid7251.tbin
7252 11 Title: Peptide derivatives specific for a Plasmodium falciparum proteinase inhibit the human erythrocyte invasion by merozoites. Abstract: A specific proteinase of P. falciparum merozoites has been detected by using hydrosoluble fluorogenic peptidic substrates synthesized by classical peptide chemistry; their N-terminal end was acylated by a gluconoyl group that protects them from aminopeptidase degradation and increases their hydrosolubility, and their carboxylic end was substituted by a 3-amin... aid7252.table aid7252.tbin
7253 5 Title: Peptide derivatives specific for a Plasmodium falciparum proteinase inhibit the human erythrocyte invasion by merozoites. Abstract: A specific proteinase of P. falciparum merozoites has been detected by using hydrosoluble fluorogenic peptidic substrates synthesized by classical peptide chemistry; their N-terminal end was acylated by a gluconoyl group that protects them from aminopeptidase degradation and increases their hydrosolubility, and their carboxylic end was substituted by a 3-amin... aid7253.table aid7253.tbin
7254 12 Title: Peptide derivatives specific for a Plasmodium falciparum proteinase inhibit the human erythrocyte invasion by merozoites. Abstract: A specific proteinase of P. falciparum merozoites has been detected by using hydrosoluble fluorogenic peptidic substrates synthesized by classical peptide chemistry; their N-terminal end was acylated by a gluconoyl group that protects them from aminopeptidase degradation and increases their hydrosolubility, and their carboxylic end was substituted by a 3-amin... aid7254.table aid7254.tbin
7255 17 Title: Peptide derivatives specific for a Plasmodium falciparum proteinase inhibit the human erythrocyte invasion by merozoites. Abstract: A specific proteinase of P. falciparum merozoites has been detected by using hydrosoluble fluorogenic peptidic substrates synthesized by classical peptide chemistry; their N-terminal end was acylated by a gluconoyl group that protects them from aminopeptidase degradation and increases their hydrosolubility, and their carboxylic end was substituted by a 3-amin... aid7255.table aid7255.tbin
7256 1 Title: Peptide derivatives specific for a Plasmodium falciparum proteinase inhibit the human erythrocyte invasion by merozoites. Abstract: A specific proteinase of P. falciparum merozoites has been detected by using hydrosoluble fluorogenic peptidic substrates synthesized by classical peptide chemistry; their N-terminal end was acylated by a gluconoyl group that protects them from aminopeptidase degradation and increases their hydrosolubility, and their carboxylic end was substituted by a 3-amin... aid7256.table aid7256.tbin
7257 1 Title: Synthesis and antitumor activity of 5-deaza-5,6,7,8-tetrahydrofolic acid and its N10-substituted analogues. Abstract: Syntheses of 5-deaza-5,6,7,8-tetrahydrofolic acid (7a) and its 10-formyl (7b), 10-acetyl (7c), and 10-methyl (7d) derivatives are described. These compounds, prepared as analogues of 5,10-dideaza-5,6,7,8-tetrahydrofolic acid (DDATHF), the lead compound of a new class of folate antimetabolites, exhibit potent growth inhibition against leukemic cells in culture as well as su... aid7257.table aid7257.tbin
7258 1 Title: Synthesis and antitumor activity of 5-deaza-5,6,7,8-tetrahydrofolic acid and its N10-substituted analogues. Abstract: Syntheses of 5-deaza-5,6,7,8-tetrahydrofolic acid (7a) and its 10-formyl (7b), 10-acetyl (7c), and 10-methyl (7d) derivatives are described. These compounds, prepared as analogues of 5,10-dideaza-5,6,7,8-tetrahydrofolic acid (DDATHF), the lead compound of a new class of folate antimetabolites, exhibit potent growth inhibition against leukemic cells in culture as well as su... aid7258.table aid7258.tbin
7259 1 Title: Synthesis and antitumor activity of 5-deaza-5,6,7,8-tetrahydrofolic acid and its N10-substituted analogues. Abstract: Syntheses of 5-deaza-5,6,7,8-tetrahydrofolic acid (7a) and its 10-formyl (7b), 10-acetyl (7c), and 10-methyl (7d) derivatives are described. These compounds, prepared as analogues of 5,10-dideaza-5,6,7,8-tetrahydrofolic acid (DDATHF), the lead compound of a new class of folate antimetabolites, exhibit potent growth inhibition against leukemic cells in culture as well as su... aid7259.table aid7259.tbin
7260 1 Title: Synthesis and antitumor activity of 5-deaza-5,6,7,8-tetrahydrofolic acid and its N10-substituted analogues. Abstract: Syntheses of 5-deaza-5,6,7,8-tetrahydrofolic acid (7a) and its 10-formyl (7b), 10-acetyl (7c), and 10-methyl (7d) derivatives are described. These compounds, prepared as analogues of 5,10-dideaza-5,6,7,8-tetrahydrofolic acid (DDATHF), the lead compound of a new class of folate antimetabolites, exhibit potent growth inhibition against leukemic cells in culture as well as su... aid7260.table aid7260.tbin
7261 1 Title: Synthesis and antitumor activity of 5-deaza-5,6,7,8-tetrahydrofolic acid and its N10-substituted analogues. Abstract: Syntheses of 5-deaza-5,6,7,8-tetrahydrofolic acid (7a) and its 10-formyl (7b), 10-acetyl (7c), and 10-methyl (7d) derivatives are described. These compounds, prepared as analogues of 5,10-dideaza-5,6,7,8-tetrahydrofolic acid (DDATHF), the lead compound of a new class of folate antimetabolites, exhibit potent growth inhibition against leukemic cells in culture as well as su... aid7261.table aid7261.tbin
7262 1 Title: Synthesis and antitumor activity of 5-deaza-5,6,7,8-tetrahydrofolic acid and its N10-substituted analogues. Abstract: Syntheses of 5-deaza-5,6,7,8-tetrahydrofolic acid (7a) and its 10-formyl (7b), 10-acetyl (7c), and 10-methyl (7d) derivatives are described. These compounds, prepared as analogues of 5,10-dideaza-5,6,7,8-tetrahydrofolic acid (DDATHF), the lead compound of a new class of folate antimetabolites, exhibit potent growth inhibition against leukemic cells in culture as well as su... aid7262.table aid7262.tbin
7263 1 Title: Novel agents effective against solid tumors: the diarylsulfonylureas. Synthesis, activities, and analysis of quantitative structure-activity relationships. Abstract: A series of diarylsulfonylureas with exceptionally broad-spectrum activity against syngeneic rodent solid tumors in vivo is described. Their discovery resulted from a program dedicated to in vivo screening for novel oncolytics in solid tumor models, rather than traditional ascites leukemia models. The structures, oral efficac... aid7263.table aid7263.tbin
7264 22 Title: Novel agents effective against solid tumors: the diarylsulfonylureas. Synthesis, activities, and analysis of quantitative structure-activity relationships. Abstract: A series of diarylsulfonylureas with exceptionally broad-spectrum activity against syngeneic rodent solid tumors in vivo is described. Their discovery resulted from a program dedicated to in vivo screening for novel oncolytics in solid tumor models, rather than traditional ascites leukemia models. The structures, oral efficac... aid7264.table aid7264.tbin
7265 1 Title: Novel agents effective against solid tumors: the diarylsulfonylureas. Synthesis, activities, and analysis of quantitative structure-activity relationships. Abstract: A series of diarylsulfonylureas with exceptionally broad-spectrum activity against syngeneic rodent solid tumors in vivo is described. Their discovery resulted from a program dedicated to in vivo screening for novel oncolytics in solid tumor models, rather than traditional ascites leukemia models. The structures, oral efficac... aid7265.table aid7265.tbin
7266 1 Title: Novel agents effective against solid tumors: the diarylsulfonylureas. Synthesis, activities, and analysis of quantitative structure-activity relationships. Abstract: A series of diarylsulfonylureas with exceptionally broad-spectrum activity against syngeneic rodent solid tumors in vivo is described. Their discovery resulted from a program dedicated to in vivo screening for novel oncolytics in solid tumor models, rather than traditional ascites leukemia models. The structures, oral efficac... aid7266.table aid7266.tbin
7267 1 Title: Novel agents effective against solid tumors: the diarylsulfonylureas. Synthesis, activities, and analysis of quantitative structure-activity relationships. Abstract: A series of diarylsulfonylureas with exceptionally broad-spectrum activity against syngeneic rodent solid tumors in vivo is described. Their discovery resulted from a program dedicated to in vivo screening for novel oncolytics in solid tumor models, rather than traditional ascites leukemia models. The structures, oral efficac... aid7267.table aid7267.tbin
7268 1 Title: Novel agents effective against solid tumors: the diarylsulfonylureas. Synthesis, activities, and analysis of quantitative structure-activity relationships. Abstract: A series of diarylsulfonylureas with exceptionally broad-spectrum activity against syngeneic rodent solid tumors in vivo is described. Their discovery resulted from a program dedicated to in vivo screening for novel oncolytics in solid tumor models, rather than traditional ascites leukemia models. The structures, oral efficac... aid7268.table aid7268.tbin
7269 1 Title: Novel agents effective against solid tumors: the diarylsulfonylureas. Synthesis, activities, and analysis of quantitative structure-activity relationships. Abstract: A series of diarylsulfonylureas with exceptionally broad-spectrum activity against syngeneic rodent solid tumors in vivo is described. Their discovery resulted from a program dedicated to in vivo screening for novel oncolytics in solid tumor models, rather than traditional ascites leukemia models. The structures, oral efficac... aid7269.table aid7269.tbin
7270 114 Title: Novel agents effective against solid tumors: the diarylsulfonylureas. Synthesis, activities, and analysis of quantitative structure-activity relationships. Abstract: A series of diarylsulfonylureas with exceptionally broad-spectrum activity against syngeneic rodent solid tumors in vivo is described. Their discovery resulted from a program dedicated to in vivo screening for novel oncolytics in solid tumor models, rather than traditional ascites leukemia models. The structures, oral efficac... aid7270.table aid7270.tbin
7271 1 Title: Novel agents effective against solid tumors: the diarylsulfonylureas. Synthesis, activities, and analysis of quantitative structure-activity relationships. Abstract: A series of diarylsulfonylureas with exceptionally broad-spectrum activity against syngeneic rodent solid tumors in vivo is described. Their discovery resulted from a program dedicated to in vivo screening for novel oncolytics in solid tumor models, rather than traditional ascites leukemia models. The structures, oral efficac... aid7271.table aid7271.tbin
7272 1 Title: Novel agents effective against solid tumors: the diarylsulfonylureas. Synthesis, activities, and analysis of quantitative structure-activity relationships. Abstract: A series of diarylsulfonylureas with exceptionally broad-spectrum activity against syngeneic rodent solid tumors in vivo is described. Their discovery resulted from a program dedicated to in vivo screening for novel oncolytics in solid tumor models, rather than traditional ascites leukemia models. The structures, oral efficac... aid7272.table aid7272.tbin
7273 1 Title: Novel agents effective against solid tumors: the diarylsulfonylureas. Synthesis, activities, and analysis of quantitative structure-activity relationships. Abstract: A series of diarylsulfonylureas with exceptionally broad-spectrum activity against syngeneic rodent solid tumors in vivo is described. Their discovery resulted from a program dedicated to in vivo screening for novel oncolytics in solid tumor models, rather than traditional ascites leukemia models. The structures, oral efficac... aid7273.table aid7273.tbin
7274 1 Title: Synthesis and antitumor activity of 5-deaza-5,6,7,8-tetrahydrofolic acid and its N10-substituted analogues. Abstract: Syntheses of 5-deaza-5,6,7,8-tetrahydrofolic acid (7a) and its 10-formyl (7b), 10-acetyl (7c), and 10-methyl (7d) derivatives are described. These compounds, prepared as analogues of 5,10-dideaza-5,6,7,8-tetrahydrofolic acid (DDATHF), the lead compound of a new class of folate antimetabolites, exhibit potent growth inhibition against leukemic cells in culture as well as su... aid7274.table aid7274.tbin
7275 1 Title: Synthesis and antitumor activity of 5-deaza-5,6,7,8-tetrahydrofolic acid and its N10-substituted analogues. Abstract: Syntheses of 5-deaza-5,6,7,8-tetrahydrofolic acid (7a) and its 10-formyl (7b), 10-acetyl (7c), and 10-methyl (7d) derivatives are described. These compounds, prepared as analogues of 5,10-dideaza-5,6,7,8-tetrahydrofolic acid (DDATHF), the lead compound of a new class of folate antimetabolites, exhibit potent growth inhibition against leukemic cells in culture as well as su... aid7275.table aid7275.tbin
7276 1 Title: Synthesis and antitumor activity of 5-deaza-5,6,7,8-tetrahydrofolic acid and its N10-substituted analogues. Abstract: Syntheses of 5-deaza-5,6,7,8-tetrahydrofolic acid (7a) and its 10-formyl (7b), 10-acetyl (7c), and 10-methyl (7d) derivatives are described. These compounds, prepared as analogues of 5,10-dideaza-5,6,7,8-tetrahydrofolic acid (DDATHF), the lead compound of a new class of folate antimetabolites, exhibit potent growth inhibition against leukemic cells in culture as well as su... aid7276.table aid7276.tbin
7277 1 Title: Synthesis and antitumor activity of 5-deaza-5,6,7,8-tetrahydrofolic acid and its N10-substituted analogues. Abstract: Syntheses of 5-deaza-5,6,7,8-tetrahydrofolic acid (7a) and its 10-formyl (7b), 10-acetyl (7c), and 10-methyl (7d) derivatives are described. These compounds, prepared as analogues of 5,10-dideaza-5,6,7,8-tetrahydrofolic acid (DDATHF), the lead compound of a new class of folate antimetabolites, exhibit potent growth inhibition against leukemic cells in culture as well as su... aid7277.table aid7277.tbin
7278 1 Title: Novel agents effective against solid tumors: the diarylsulfonylureas. Synthesis, activities, and analysis of quantitative structure-activity relationships. Abstract: A series of diarylsulfonylureas with exceptionally broad-spectrum activity against syngeneic rodent solid tumors in vivo is described. Their discovery resulted from a program dedicated to in vivo screening for novel oncolytics in solid tumor models, rather than traditional ascites leukemia models. The structures, oral efficac... aid7278.table aid7278.tbin
7279 1 Title: Novel agents effective against solid tumors: the diarylsulfonylureas. Synthesis, activities, and analysis of quantitative structure-activity relationships. Abstract: A series of diarylsulfonylureas with exceptionally broad-spectrum activity against syngeneic rodent solid tumors in vivo is described. Their discovery resulted from a program dedicated to in vivo screening for novel oncolytics in solid tumor models, rather than traditional ascites leukemia models. The structures, oral efficac... aid7279.table aid7279.tbin
7280 1 Title: Novel agents effective against solid tumors: the diarylsulfonylureas. Synthesis, activities, and analysis of quantitative structure-activity relationships. Abstract: A series of diarylsulfonylureas with exceptionally broad-spectrum activity against syngeneic rodent solid tumors in vivo is described. Their discovery resulted from a program dedicated to in vivo screening for novel oncolytics in solid tumor models, rather than traditional ascites leukemia models. The structures, oral efficac... aid7280.table aid7280.tbin
7281 1 Title: Novel agents effective against solid tumors: the diarylsulfonylureas. Synthesis, activities, and analysis of quantitative structure-activity relationships. Abstract: A series of diarylsulfonylureas with exceptionally broad-spectrum activity against syngeneic rodent solid tumors in vivo is described. Their discovery resulted from a program dedicated to in vivo screening for novel oncolytics in solid tumor models, rather than traditional ascites leukemia models. The structures, oral efficac... aid7281.table aid7281.tbin
7282 1 Title: Novel agents effective against solid tumors: the diarylsulfonylureas. Synthesis, activities, and analysis of quantitative structure-activity relationships. Abstract: A series of diarylsulfonylureas with exceptionally broad-spectrum activity against syngeneic rodent solid tumors in vivo is described. Their discovery resulted from a program dedicated to in vivo screening for novel oncolytics in solid tumor models, rather than traditional ascites leukemia models. The structures, oral efficac... aid7282.table aid7282.tbin
7283 1 Title: Novel agents effective against solid tumors: the diarylsulfonylureas. Synthesis, activities, and analysis of quantitative structure-activity relationships. Abstract: A series of diarylsulfonylureas with exceptionally broad-spectrum activity against syngeneic rodent solid tumors in vivo is described. Their discovery resulted from a program dedicated to in vivo screening for novel oncolytics in solid tumor models, rather than traditional ascites leukemia models. The structures, oral efficac... aid7283.table aid7283.tbin
7284 1 Title: Novel agents effective against solid tumors: the diarylsulfonylureas. Synthesis, activities, and analysis of quantitative structure-activity relationships. Abstract: A series of diarylsulfonylureas with exceptionally broad-spectrum activity against syngeneic rodent solid tumors in vivo is described. Their discovery resulted from a program dedicated to in vivo screening for novel oncolytics in solid tumor models, rather than traditional ascites leukemia models. The structures, oral efficac... aid7284.table aid7284.tbin
7285 1 Title: Novel agents effective against solid tumors: the diarylsulfonylureas. Synthesis, activities, and analysis of quantitative structure-activity relationships. Abstract: A series of diarylsulfonylureas with exceptionally broad-spectrum activity against syngeneic rodent solid tumors in vivo is described. Their discovery resulted from a program dedicated to in vivo screening for novel oncolytics in solid tumor models, rather than traditional ascites leukemia models. The structures, oral efficac... aid7285.table aid7285.tbin
7286 1 Title: Studies of the antitumor activity of (2-alkoxyalkyl)- and (2-alkoxyalkenyl)phosphocholines. Abstract: Analogues of the synthetic antitumor phospholipid ALP (1-octadecyl-2-methyl-sn-glycero-3-phosphocholine; alkyl lysophospholipid) in which the 1-ether oxygen atom has been removed have been prepared and evaluated for in vitro and in vivo anticancer activity. Compounds are presented in which the saturated long chain varies in length from 8 to 25 carbon atoms. Sites of unsaturation are also ... aid7286.table aid7286.tbin
7287 1 Title: Synthesis and biological activity of acyclic analogues of 5,10-dideaza-5,6,7,8-tetrahydrofolic acid. Abstract: The synthesis and biological evaluation of a number of analogues of N-[4-[4-(2,4-diamino-1,6-dihydro-6-oxo-5-pyrimidyl) butyl]benzoyl]-L-glutamic acid (2) (7-DM-DDATHF), an acyclic modification of the novel folate antimetabolite 5,10-dideazatetrahydrofolic acid (DDATHF), are described. The synthetic procedure utilized previously for the synthesis of 2, 15, and 16 was extended to ... aid7287.table aid7287.tbin
7288 1 Title: Synthesis and biological activity of acyclic analogues of 5,10-dideaza-5,6,7,8-tetrahydrofolic acid. Abstract: The synthesis and biological evaluation of a number of analogues of N-[4-[4-(2,4-diamino-1,6-dihydro-6-oxo-5-pyrimidyl) butyl]benzoyl]-L-glutamic acid (2) (7-DM-DDATHF), an acyclic modification of the novel folate antimetabolite 5,10-dideazatetrahydrofolic acid (DDATHF), are described. The synthetic procedure utilized previously for the synthesis of 2, 15, and 16 was extended to ... aid7288.table aid7288.tbin
7289 2 Title: Novel agents effective against solid tumors: the diarylsulfonylureas. Synthesis, activities, and analysis of quantitative structure-activity relationships. Abstract: A series of diarylsulfonylureas with exceptionally broad-spectrum activity against syngeneic rodent solid tumors in vivo is described. Their discovery resulted from a program dedicated to in vivo screening for novel oncolytics in solid tumor models, rather than traditional ascites leukemia models. The structures, oral efficac... aid7289.table aid7289.tbin
7290 1 Title: Novel agents effective against solid tumors: the diarylsulfonylureas. Synthesis, activities, and analysis of quantitative structure-activity relationships. Abstract: A series of diarylsulfonylureas with exceptionally broad-spectrum activity against syngeneic rodent solid tumors in vivo is described. Their discovery resulted from a program dedicated to in vivo screening for novel oncolytics in solid tumor models, rather than traditional ascites leukemia models. The structures, oral efficac... aid7290.table aid7290.tbin
7291 22 Title: Sulfonylureas: a new class of cancer chemotherapeutic agents. Abstract: This study summarizes the antitumor properties of a number of sulofenur thiophene analogs against subcutaneously implanted 6C3HED lymphosarcoma with structural modification of the aryl moiety of the sulfonamide portion of the diarylsulfonylureas. The spectrum of activity of N-(p-chlorophenyl)-N'- [(5-methoxy-2-thienyl)sulfonyl]urea in the HXGC3, VRC5, CX-1, and LX-1 cell lines is also presented. aid7291.table aid7291.tbin
7292 1 Title: Sulfonylureas: a new class of cancer chemotherapeutic agents. Abstract: This study summarizes the antitumor properties of a number of sulofenur thiophene analogs against subcutaneously implanted 6C3HED lymphosarcoma with structural modification of the aryl moiety of the sulfonamide portion of the diarylsulfonylureas. The spectrum of activity of N-(p-chlorophenyl)-N'- [(5-methoxy-2-thienyl)sulfonyl]urea in the HXGC3, VRC5, CX-1, and LX-1 cell lines is also presented. aid7292.table aid7292.tbin
7293 23 Title: Sulfonylureas: a new class of cancer chemotherapeutic agents. Abstract: This study summarizes the antitumor properties of a number of sulofenur thiophene analogs against subcutaneously implanted 6C3HED lymphosarcoma with structural modification of the aryl moiety of the sulfonamide portion of the diarylsulfonylureas. The spectrum of activity of N-(p-chlorophenyl)-N'- [(5-methoxy-2-thienyl)sulfonyl]urea in the HXGC3, VRC5, CX-1, and LX-1 cell lines is also presented. aid7293.table aid7293.tbin
7294 23 Title: Discovery of potent inhibitors of dihydroneopterin aldolase using CrystaLEAD high-throughput X-ray crystallographic screening and structure-directed lead optimization. Abstract: Potent inhibitors of 7,8-dihydroneopterin aldolase (DHNA; EC 4.1.2.25) have been discovered using CrystaLEAD X-ray crystallographic high-throughput screening followed by structure-directed optimization. Screening of a 10 000 compound random library provided several low affinity leads and their corresponding X-ray ... aid7294.table aid7294.tbin
7295 1 Title: Effects of 1-arylpyrroles and naphthoflavones upon cytochrome P-450 dependent monooxygenase activities. Abstract: The inhibitions of cytochrome P-450 dependent monooxygenase activity in microsomes from rat liver by 1-phenylpyrrole, 1-(2-isopropylphenyl)pyrrole, 4(5)-phenylimidazole, and 1-(2-isopropylphenyl)imidazole have been compared. The results establish that the presence of an imidazole N-3 nitrogen substituent is not required to inhibit the monooxygenase activity measured by the dee... aid7295.table aid7295.tbin
7296 2 Title: Effects of 1-arylpyrroles and naphthoflavones upon cytochrome P-450 dependent monooxygenase activities. Abstract: The inhibitions of cytochrome P-450 dependent monooxygenase activity in microsomes from rat liver by 1-phenylpyrrole, 1-(2-isopropylphenyl)pyrrole, 4(5)-phenylimidazole, and 1-(2-isopropylphenyl)imidazole have been compared. The results establish that the presence of an imidazole N-3 nitrogen substituent is not required to inhibit the monooxygenase activity measured by the dee... aid7296.table aid7296.tbin
7297 1 Title: Effects of 1-arylpyrroles and naphthoflavones upon cytochrome P-450 dependent monooxygenase activities. Abstract: The inhibitions of cytochrome P-450 dependent monooxygenase activity in microsomes from rat liver by 1-phenylpyrrole, 1-(2-isopropylphenyl)pyrrole, 4(5)-phenylimidazole, and 1-(2-isopropylphenyl)imidazole have been compared. The results establish that the presence of an imidazole N-3 nitrogen substituent is not required to inhibit the monooxygenase activity measured by the dee... aid7297.table aid7297.tbin
7298 1 Title: Effects of 1-arylpyrroles and naphthoflavones upon cytochrome P-450 dependent monooxygenase activities. Abstract: The inhibitions of cytochrome P-450 dependent monooxygenase activity in microsomes from rat liver by 1-phenylpyrrole, 1-(2-isopropylphenyl)pyrrole, 4(5)-phenylimidazole, and 1-(2-isopropylphenyl)imidazole have been compared. The results establish that the presence of an imidazole N-3 nitrogen substituent is not required to inhibit the monooxygenase activity measured by the dee... aid7298.table aid7298.tbin
7299 1 Title: Effects of 1-arylpyrroles and naphthoflavones upon cytochrome P-450 dependent monooxygenase activities. Abstract: The inhibitions of cytochrome P-450 dependent monooxygenase activity in microsomes from rat liver by 1-phenylpyrrole, 1-(2-isopropylphenyl)pyrrole, 4(5)-phenylimidazole, and 1-(2-isopropylphenyl)imidazole have been compared. The results establish that the presence of an imidazole N-3 nitrogen substituent is not required to inhibit the monooxygenase activity measured by the dee... aid7299.table aid7299.tbin
7300 1 Title: Effects of 1-arylpyrroles and naphthoflavones upon cytochrome P-450 dependent monooxygenase activities. Abstract: The inhibitions of cytochrome P-450 dependent monooxygenase activity in microsomes from rat liver by 1-phenylpyrrole, 1-(2-isopropylphenyl)pyrrole, 4(5)-phenylimidazole, and 1-(2-isopropylphenyl)imidazole have been compared. The results establish that the presence of an imidazole N-3 nitrogen substituent is not required to inhibit the monooxygenase activity measured by the dee... aid7300.table aid7300.tbin
7301 1 Title: Effects of 1-arylpyrroles and naphthoflavones upon cytochrome P-450 dependent monooxygenase activities. Abstract: The inhibitions of cytochrome P-450 dependent monooxygenase activity in microsomes from rat liver by 1-phenylpyrrole, 1-(2-isopropylphenyl)pyrrole, 4(5)-phenylimidazole, and 1-(2-isopropylphenyl)imidazole have been compared. The results establish that the presence of an imidazole N-3 nitrogen substituent is not required to inhibit the monooxygenase activity measured by the dee... aid7301.table aid7301.tbin
7302 1 Title: Effects of 1-arylpyrroles and naphthoflavones upon cytochrome P-450 dependent monooxygenase activities. Abstract: The inhibitions of cytochrome P-450 dependent monooxygenase activity in microsomes from rat liver by 1-phenylpyrrole, 1-(2-isopropylphenyl)pyrrole, 4(5)-phenylimidazole, and 1-(2-isopropylphenyl)imidazole have been compared. The results establish that the presence of an imidazole N-3 nitrogen substituent is not required to inhibit the monooxygenase activity measured by the dee... aid7302.table aid7302.tbin
7303 2 Title: Effects of 1-arylpyrroles and naphthoflavones upon cytochrome P-450 dependent monooxygenase activities. Abstract: The inhibitions of cytochrome P-450 dependent monooxygenase activity in microsomes from rat liver by 1-phenylpyrrole, 1-(2-isopropylphenyl)pyrrole, 4(5)-phenylimidazole, and 1-(2-isopropylphenyl)imidazole have been compared. The results establish that the presence of an imidazole N-3 nitrogen substituent is not required to inhibit the monooxygenase activity measured by the dee... aid7303.table aid7303.tbin
7304 1 Title: Effects of 1-arylpyrroles and naphthoflavones upon cytochrome P-450 dependent monooxygenase activities. Abstract: The inhibitions of cytochrome P-450 dependent monooxygenase activity in microsomes from rat liver by 1-phenylpyrrole, 1-(2-isopropylphenyl)pyrrole, 4(5)-phenylimidazole, and 1-(2-isopropylphenyl)imidazole have been compared. The results establish that the presence of an imidazole N-3 nitrogen substituent is not required to inhibit the monooxygenase activity measured by the dee... aid7304.table aid7304.tbin
7305 1 Title: Effects of 1-arylpyrroles and naphthoflavones upon cytochrome P-450 dependent monooxygenase activities. Abstract: The inhibitions of cytochrome P-450 dependent monooxygenase activity in microsomes from rat liver by 1-phenylpyrrole, 1-(2-isopropylphenyl)pyrrole, 4(5)-phenylimidazole, and 1-(2-isopropylphenyl)imidazole have been compared. The results establish that the presence of an imidazole N-3 nitrogen substituent is not required to inhibit the monooxygenase activity measured by the dee... aid7305.table aid7305.tbin
7306 3 Title: Effects of 1-arylpyrroles and naphthoflavones upon cytochrome P-450 dependent monooxygenase activities. Abstract: The inhibitions of cytochrome P-450 dependent monooxygenase activity in microsomes from rat liver by 1-phenylpyrrole, 1-(2-isopropylphenyl)pyrrole, 4(5)-phenylimidazole, and 1-(2-isopropylphenyl)imidazole have been compared. The results establish that the presence of an imidazole N-3 nitrogen substituent is not required to inhibit the monooxygenase activity measured by the dee... aid7306.table aid7306.tbin
7307 2 The apparent total plasma clearance in monkey aid7307.table aid7307.tbin
7308 2 Title: Discovery of CP-199,330 and CP-199,331: two potent and orally efficacious cysteinyl LT1 receptor antagonists devoid of liver toxicity. Abstract: CP-199,330 (3) and CP-199,331 (4) are cysLT1 receptor antagonists that are equipotent to marketed cysLT1 receptor antagonists zafirlukast and pranlukast, show good pharmacokinetics in rats and monkeys, and are devoid of liver toxicity in monkeys as seen in CP-85,958 (1). aid7308.table aid7308.tbin
7309 1 Title: (2R)-2-ethylchromane-2-carboxylic acids: discovery of novel PPARalpha/gamma dual agonists as antihyperglycemic and hypolipidemic agents. Abstract: A series of chromane-2-carboxylic acid derivatives was synthesized and evaluated for PPAR agonist activities. A structure-activity relationship was developed toward PPARalpha/gamma dual agonism. As a result, (2R)-7-(3-[2-chloro-4-(4-fluorophenoxy)phenoxy]propoxy)-2-ethylchromane-2-carboxylic acid (48) was identified as a potent, structurally no... aid7309.table aid7309.tbin
7310 1 Title: The discovery of sulfonylated dipeptides as potent VLA-4 antagonists. Abstract: Directed screening of a carboxylic acid-containing combinatorial library led to the discovery of potent inhibitors of the integrin VLA-4. Subsequent optimization by solid-phase synthesis afforded a series of sulfonylated dipeptide inhibitors with structural components that when combined in a single hybrid molecule gave a sub-nanomolar inhibitor as a lead for medicinal chemistry. Preliminary metabolic studies l... aid7310.table aid7310.tbin
7311 1 Title: Discovery, SAR, synthesis, pharmacokinetic and biochemical characterization of A-192411: a novel fungicidal lipopeptide-(I). Abstract: The echinocandin class of cyclic lipopeptides has been simplified to discover potent antifungal compounds. Namely A-192411 shows good in vitro activity against common pathogenic yeasts and has an acceptable safety window in vivo. Discovery, limited SAR, synthesis, biochemical and pharmaco-dynamic profiles of A-192411 are presented. aid7311.table aid7311.tbin
7312 4 Title: Novel CCR1 antagonists with improved metabolic stability. Abstract: The synthesis, biological activity, and pharmacokinetic profile of novel CCR1 antagonists are described. aid7312.table aid7312.tbin
7313 1 Title: p38 Inhibitors: piperidine- and 4-aminopiperidine-substituted naphthyridinones, quinolinones, and dihydroquinazolinones. Abstract: We have synthesized a series of C7-piperidine- and 4-aminopiperidine-substituted naphthyridinones, quinolinones, and dihydroquinazolinones that are highly potent inhibitors of both p38MAP kinase activity and TNF-alpha release. The 4-aminopentamethylpiperidine naphthyridinone 5, which was designed to block metabolism at major 'hot spots', combined excellent inh... aid7313.table aid7313.tbin
7314 1 Title: 1,3,4-Trisubstituted pyrrolidine CCR5 receptor antagonists. Part 4: synthesis of N-1 acidic functionality affording analogues with enhanced antiviral activity against HIV. Abstract: A series of alpha-(pyrrolidin-1-yl)acetic acids is presented as selective and potent antivirals against HIV. Several of the pyrrolidine zwitterions demonstrated reasonable in vitro properties, enhanced antiviral activities and improved pharmacokinetic profiles over pyrrolidine 1. aid7314.table aid7314.tbin
7315 1 Title: Antagonists of human CCR5 receptor containing 4-(pyrazolyl)piperidine side chains. Part 2: Discovery of potent, selective, and orally bioavailable compounds. Abstract: Modifications of the alkyl acetic acid portion and the phenyl on pyrrolidine in our lead pyrazole compound 1 afforded the isopropyl compound 9. This compound is a potent CCR5 antagonist showing good in vitro antiviral activity against HIV-1, an excellent selectivity profile, and good oral bioavailability in three animal spe... aid7315.table aid7315.tbin
7316 2 Title: 1,3,4-Trisubstituted pyrrolidine CCR5 receptor antagonists: modifications of the arylpropylpiperidine side chains. Abstract: The 4-(3-phenylprop-1-yl)piperidine moiety of the 1,3,4-trisubstituted pyrrolidine CCR5 antagonist 1 was modified with electron deficient aromatics as well as replacement of the benzylic methylene with sulfones, gem-difluoromethylenes and alcohols in an effort to balance the antiviral potency with reasonable pharmacokinetics. aid7316.table aid7316.tbin
7317 1 Title: Discovery and characterization of the potent, selective and orally bioavailable MMP inhibitor ABT-770. Abstract: Modification of the biphenyl portion of MMP inhibitor 2a gave analogue 2i which is greater than 1000-fold selective against MMP-2 versus MMP-1. The stereospecific synthesis of both enantiomers of 2i was achieved beginning with (S)- or (R)-benzyl glycidyl ether. The (S)-enantiomer, 11 (ABT-770), is orally bioavailable and efficacious in an in vivo model of tumor growth. aid7317.table aid7317.tbin
7318 1 Title: N-isonicotinoyl-(L)-4-aminophenylalanine derivatives as tight binding VLA-4 antagonists. Abstract: A series of isonicotinoyl-(L)-aminophenylalanine derivatives was prepared and evaluated as VLA-4 antagonists. These compounds exhibit subnanomolar binding affinity to VLA-4 and significant off-rates. The interplay between off-rate, protein binding and pharmacokinetics is discussed. aid7318.table aid7318.tbin
7319 1 Title: Substituted N-(3,5-dichlorobenzenesulfonyl)-L-prolyl-phenylalanine analogues as potent VLA-4 antagonists. Abstract: A series of substituted N-(3,5-dichlorobenzenesulfonyl)-L-prolyl- and alpha-methyl-L-prolyl-phenylalanine derivatives was prepared as VLA-4/VCAM antagonists. The compounds showed excellent potency with a wide variety of neutral, polar, electron withdrawing or donating groups on the phenylalanine ring (IC50 approximately 1 nM). Heteroaryl ring substitution for phenylalanine w... aid7319.table aid7319.tbin
7320 1 Title: Substituted N-(3,5-dichlorobenzenesulfonyl)-L-prolyl-phenylalanine analogues as potent VLA-4 antagonists. Abstract: A series of substituted N-(3,5-dichlorobenzenesulfonyl)-L-prolyl- and alpha-methyl-L-prolyl-phenylalanine derivatives was prepared as VLA-4/VCAM antagonists. The compounds showed excellent potency with a wide variety of neutral, polar, electron withdrawing or donating groups on the phenylalanine ring (IC50 approximately 1 nM). Heteroaryl ring substitution for phenylalanine w... aid7320.table aid7320.tbin
7321 2 Title: Piperazine-based CCR5 antagonists as HIV-1 inhibitors. IV. Discovery of 1-[(4,6-dimethyl-5-pyrimidinyl)carbonyl]- 4-[4-[2-methoxy-1(R)-4-(trifluoromethyl)phenyl]ethyl-3(S)-methyl-1-piperazinyl]- 4-methylpiperidine (Sch-417690/Sch-D), a potent, highly selective, and orally bioavailable CCR5 antagonist. Abstract: The nature and the size of the benzylic substituent are shown to be the key to controlling receptor selectivity (CCR5 vs M1, M2) and potency in the title compounds. Optimization of... aid7321.table aid7321.tbin
7322 2 Title: Optimization of the indolyl quinolinone class of KDR (VEGFR-2) kinase inhibitors: effects of 5-amido- and 5-sulphonamido-indolyl groups on pharmacokinetics and hERG binding. Abstract: Modifications to the basic side-chain of early lead structures of the indolyl quinolinone class of KDR kinase inhibitors resulted in improved pharmacokinetic and ancillary profiles. Specifically, compounds bearing 5-amido- and 5-sulphonamido-indolyl substituents exhibited lower plasma clearance and weaker bi... aid7322.table aid7322.tbin
7323 1 Title: HIV protease inhibitors with picomolar potency against PI-Resistant HIV-1 by extension of the P3 substituent. Abstract: A biaryl pyridylfuran P(3) substituent on the hydroxyethylene isostere scaffold affords HIV protease inhibitors (PI's) with picomolar (IC(50)) potency against the protease enzymes from PI-resistant HIV-1 strains. Inclusion of a gem-dimethyl substituent afforded compound 3 with 100% oral bioavailability (dogs) and more than double the t(1/2) of indinavir. Inhibition of mu... aid7323.table aid7323.tbin
7324 1 Title: Sulphonamide-based small molecule VLA-4 antagonists. Abstract: The discovery of a sulphonamide by-product with VLA-4 antagonistic activity led to a series of potent, small molecule VLA-4 antagonists. Synthesis, SAR and in vivo evaluation of the selected compound will be presented. aid7324.table aid7324.tbin
7325 1 Title: Sulphonamide-based small molecule VLA-4 antagonists. Abstract: The discovery of a sulphonamide by-product with VLA-4 antagonistic activity led to a series of potent, small molecule VLA-4 antagonists. Synthesis, SAR and in vivo evaluation of the selected compound will be presented. aid7325.table aid7325.tbin
7326 1 Title: Piperazine-based CCR5 antagonists as HIV-1 inhibitors. III: synthesis, antiviral and pharmacokinetic profiles of symmetrical heteroaryl carboxamides. Abstract: The unsymmetrical nicotinamide-N-oxide moiety in compound 1 was replaced with symmetrical isonicotinamides as well as 4,6-dimethyl pyrimidine-5-carboxamides. Compound 16 from the latter set reduced the number of rotamers, improved potency of inhibiting UIV entry, slightly diminished the affinity for the muscarine receptors and show... aid7326.table aid7326.tbin
7327 1 Title: Endothelin antagonists: discovery of EMD 122946, a highly potent and orally active ETA selective antagonist. Abstract: The discovery, in vitro and in vivo studies of the highly potent ETA antagonist EMD 122946 are presented. This compound displayed high binding affinity and functional antagonism [IC50 = 3.2 x 10(-11) M, pA2 = 9.5 (ETA)] and inhibited the ET-1 induced pressor response in pithed rats with an ED50 of 0.3 mg/kg. In conscious spontaneously hypertensive rats and in DOCA-salt hy... aid7327.table aid7327.tbin
7328 1 Title: SAR in the alkoxy lactone series: the discovery of DFP, a potent and orally active COX-2 inhibitor. Abstract: Extensive SAR has been established in the alkoxy lactone series and this has lead to the discovery of DFP (5,5-dimethyl-3-(2-propoxy)-4-methanesulfonylphenyl)-2(5H)-furanon e), a potent COX-2 inhibitor exhibiting in vivo efficacy in all models studied. aid7328.table aid7328.tbin
7329 1 Title: SAR in the alkoxy lactone series: the discovery of DFP, a potent and orally active COX-2 inhibitor. Abstract: Extensive SAR has been established in the alkoxy lactone series and this has lead to the discovery of DFP (5,5-dimethyl-3-(2-propoxy)-4-methanesulfonylphenyl)-2(5H)-furanon e), a potent COX-2 inhibitor exhibiting in vivo efficacy in all models studied. aid7329.table aid7329.tbin
7330 1 Title: Substituted 2-pyridinemethanol derivatives as potent and selective phosphodiesterase-4 inhibitors. Abstract: The synthesis and the phosphodiesterase-4 (PDE4) inhibitory activity of 2-pyridinemethanol derivatives is described. The evaluation of the structure-activity relationship (SAR) in this series of novel PDE4 inhibitors led to the identification of compound 9 which exhibits excellent in vitro activity, desirable pharmacokinetic parameters and good efficacy in animal models of bronchoc... aid7330.table aid7330.tbin
7331 1 Maximum concentration was evaluated against Cynomolgus monkey at a dose of 15 mg/kg after po administration aid7331.table aid7331.tbin
7332 1 Title: Pharmacokinetic optimization of 3-amino-6-chloropyrazinone acetamide thrombin inhibitors. Implementation of P3 pyridine N-oxides to deliver an orally bioavailable series containing P1 N-benzylamides. Abstract: In this manuscript we demonstrate that a modification principally directed toward the improvement of the aqueous solubility (i.e., introduction a P3 pyridine N-oxide) of the previous lead compound afforded a new series of potent orally bioavailable P1 N-benzylamide thrombin inhibito... aid7332.table aid7332.tbin
7333 1 Title: Molecular design and structure--activity relationships leading to the potent, selective, and orally active thrombin active site inhibitor BMS-189664. Abstract: A series of structurally novel small molecule inhibitors of human alpha-thrombin was prepared to elucidate their structure-activity relationships (SARs), selectivity and activity in vivo. BMS-189664 (3) is identified as a potent, selective, and orally active reversible inhibitor of human alpha-thrombin which is efficacious in vivo ... aid7333.table aid7333.tbin
7334 1 Title: Anti-HIV-1 activities and pharmacokinetics of new arylpiperazinyl fluoroquinolones. Abstract: Anti-HIV-1 activities and pharmacokinetics of a series of novel arylpiperazinyl fluoroquinolones are reported. Modification at the C-8 position with a trifluoromethyl group was superior to that with a difluoromethoxy group to achieve higher anti-HIV-1 activity. Two compounds studied exhibited quite high anti-HIV-1 activities (IC(50)&lt;50 nM) in vitro and high bioavailabilities (BA&gt;90%) in mon... aid7334.table aid7334.tbin
7335 1 Title: Anti-HIV-1 activities and pharmacokinetics of new arylpiperazinyl fluoroquinolones. Abstract: Anti-HIV-1 activities and pharmacokinetics of a series of novel arylpiperazinyl fluoroquinolones are reported. Modification at the C-8 position with a trifluoromethyl group was superior to that with a difluoromethoxy group to achieve higher anti-HIV-1 activity. Two compounds studied exhibited quite high anti-HIV-1 activities (IC(50)&lt;50 nM) in vitro and high bioavailabilities (BA&gt;90%) in mon... aid7335.table aid7335.tbin
7336 1 Title: Anti-HIV-1 activities and pharmacokinetics of new arylpiperazinyl fluoroquinolones. Abstract: Anti-HIV-1 activities and pharmacokinetics of a series of novel arylpiperazinyl fluoroquinolones are reported. Modification at the C-8 position with a trifluoromethyl group was superior to that with a difluoromethoxy group to achieve higher anti-HIV-1 activity. Two compounds studied exhibited quite high anti-HIV-1 activities (IC(50)&lt;50 nM) in vitro and high bioavailabilities (BA&gt;90%) in mon... aid7336.table aid7336.tbin
7337 3 Title: Anti-HIV-1 activities and pharmacokinetics of new arylpiperazinyl fluoroquinolones. Abstract: Anti-HIV-1 activities and pharmacokinetics of a series of novel arylpiperazinyl fluoroquinolones are reported. Modification at the C-8 position with a trifluoromethyl group was superior to that with a difluoromethoxy group to achieve higher anti-HIV-1 activity. Two compounds studied exhibited quite high anti-HIV-1 activities (IC(50)&lt;50 nM) in vitro and high bioavailabilities (BA&gt;90%) in mon... aid7337.table aid7337.tbin
7338 1 Title: Synthesis and SAR of aminoalkoxy-biaryl-4-carboxamides: novel and selective histamine H3 receptor antagonists. Abstract: Novel 4'-[(NR1R2-1-yl)]-propoxy-biaryl-4-carboxamides were designed and synthesized. All compounds were tested for affinity at histamine H(3)receptors. Most compounds were highly potent and selective for human and rat H(3) receptors and selected examples such as A-349821 showed functional antagonism of H(3) receptors in vitro and in a mouse dipsogenia model. aid7338.table aid7338.tbin
7339 1 Compound was evaluated for Plasma levels upon oral administration at 30 mg/kg in Monkey at maximum of 0.4 hours aid7339.table aid7339.tbin
7340 1 Compound was evaluated for Plasma levels upon oral administration at 30 mg/kg in Monkey at maximum of 1.0 hours aid7340.table aid7340.tbin
7341 1 Title: Discovery and characterization of the potent, selective and orally bioavailable MMP inhibitor ABT-770. Abstract: Modification of the biphenyl portion of MMP inhibitor 2a gave analogue 2i which is greater than 1000-fold selective against MMP-2 versus MMP-1. The stereospecific synthesis of both enantiomers of 2i was achieved beginning with (S)- or (R)-benzyl glycidyl ether. The (S)-enantiomer, 11 (ABT-770), is orally bioavailable and efficacious in an in vivo model of tumor growth. aid7341.table aid7341.tbin
7342 1 Title: Synthesis and SAR of aminoalkoxy-biaryl-4-carboxamides: novel and selective histamine H3 receptor antagonists. Abstract: Novel 4'-[(NR1R2-1-yl)]-propoxy-biaryl-4-carboxamides were designed and synthesized. All compounds were tested for affinity at histamine H(3)receptors. Most compounds were highly potent and selective for human and rat H(3) receptors and selected examples such as A-349821 showed functional antagonism of H(3) receptors in vitro and in a mouse dipsogenia model. aid7342.table aid7342.tbin
7343 1 Title: 4-[5-Fluoro-3-[4-(2-methyl-1H-imidazol-1-yl)benzyloxy]phenyl]-3,4,5,6- tetrahydro-2H-pyran-4-carboxamide, an orally active inhibitor of 5-lipoxygenase with improved pharmacokinetic and toxicology characteristics. Abstract: Described herein are structure-activity relationships (SARs) of 4-[5-fluoro-3-[4-(2-methyl-1H-imidazol-1-yl)benzyloxy]-phenyl]-4-methoxy-3,4,5,6-tetrahydro-2H-pyran (1, CJ-12,918), an imidazole 5-lipoxygenase (5-LO) inhibitor. When 1 was tested in preclinical studies, c... aid7343.table aid7343.tbin
7344 1 Title: Nonpeptide alphavbeta3 antagonists. 8. In vitro and in vivo evaluation of a potent alphavbeta3 antagonist for the prevention and treatment of osteoporosis. Abstract: 3(S)-(6-methoxypyridin-3-yl)-3-[2-oxo-3-[3-(5,6,7,8-tetrahydro-[1,8]-naphthyridin-2-yl)propyl]imidazolidin-1-yl]propionic acid 6 was identified as a potent and selective antagonist of the alpha(v)beta(3) receptor. This compound has an excellent in vitro profile (IC(50) = 0.08 nM), a significant unbound fraction in human plasm... aid7344.table aid7344.tbin
7345 1 Title: Biaryl ether retrohydroxamates as potent, long-lived, orally bioavailable MMP inhibitors. Abstract: A novel series of biaryl ether reverse hydroxamate MMP inhibitors has been developed. These compounds are potent MMP-2 inhibitors with limited activity against MMP-1. Select members of this series exhibit excellent pharmacokinetic properties with long elimination half-lives (7 h) and high oral bioavailability (100%). aid7345.table aid7345.tbin
7346 6 Title: Biaryl ether retrohydroxamates as potent, long-lived, orally bioavailable MMP inhibitors. Abstract: A novel series of biaryl ether reverse hydroxamate MMP inhibitors has been developed. These compounds are potent MMP-2 inhibitors with limited activity against MMP-1. Select members of this series exhibit excellent pharmacokinetic properties with long elimination half-lives (7 h) and high oral bioavailability (100%). aid7346.table aid7346.tbin
7347 1 Title: (2R)-2-ethylchromane-2-carboxylic acids: discovery of novel PPARalpha/gamma dual agonists as antihyperglycemic and hypolipidemic agents. Abstract: A series of chromane-2-carboxylic acid derivatives was synthesized and evaluated for PPAR agonist activities. A structure-activity relationship was developed toward PPARalpha/gamma dual agonism. As a result, (2R)-7-(3-[2-chloro-4-(4-fluorophenoxy)phenoxy]propoxy)-2-ethylchromane-2-carboxylic acid (48) was identified as a potent, structurally no... aid7347.table aid7347.tbin
7348 1 Title: Development of orally active nonpeptidic inhibitors of human neutrophil elastase. Abstract: 5-Amino-2-phenylpyrimidin-6-ones, some of their desamino derivatives, and miscellaneous derivatives were synthesized and biologically evaluated on both in vitro activity and oral activity in an acute hemorrhagic assay. These compounds contained an alpha-keto-1,3,4-oxadiazole moiety to bind covalently to the Ser-195 hydroxy group of human neutrophil elastase (HNE). Among those tested, compounds 11a-... aid7348.table aid7348.tbin
7349 1 Bioavailability was evaluated against Cynomolgus monkey at a dose of 15 mg/kg after po administration aid7349.table aid7349.tbin
7350 1 Title: Substituted N-(3,5-dichlorobenzenesulfonyl)-L-prolyl-phenylalanine analogues as potent VLA-4 antagonists. Abstract: A series of substituted N-(3,5-dichlorobenzenesulfonyl)-L-prolyl- and alpha-methyl-L-prolyl-phenylalanine derivatives was prepared as VLA-4/VCAM antagonists. The compounds showed excellent potency with a wide variety of neutral, polar, electron withdrawing or donating groups on the phenylalanine ring (IC50 approximately 1 nM). Heteroaryl ring substitution for phenylalanine w... aid7350.table aid7350.tbin
7351 1 Title: Substituted N-(3,5-dichlorobenzenesulfonyl)-L-prolyl-phenylalanine analogues as potent VLA-4 antagonists. Abstract: A series of substituted N-(3,5-dichlorobenzenesulfonyl)-L-prolyl- and alpha-methyl-L-prolyl-phenylalanine derivatives was prepared as VLA-4/VCAM antagonists. The compounds showed excellent potency with a wide variety of neutral, polar, electron withdrawing or donating groups on the phenylalanine ring (IC50 approximately 1 nM). Heteroaryl ring substitution for phenylalanine w... aid7351.table aid7351.tbin
7352 1 Title: 3-(2-aminoalkyl)-1-(2,6-difluorobenzyl)-5- (2-fluoro-3-methoxyphenyl)-6-methyl-uracils as orally bioavailable antagonists of the human gonadotropin releasing hormone receptor. Abstract: Uracils possessing N-3 side chains derived from various amino alcohols were designed and synthesized as potent human gonadotropin releasing hormone receptor antagonists. The compounds herein presented displayed superior metabolic stability than their predecessor molecules. Selected compounds from this seri... aid7352.table aid7352.tbin
7353 15 Bioavailability in squirrel monkey (dose 5 mg/kg) aid7353.table aid7353.tbin
7354 1 Title: Molecular design and structure--activity relationships leading to the potent, selective, and orally active thrombin active site inhibitor BMS-189664. Abstract: A series of structurally novel small molecule inhibitors of human alpha-thrombin was prepared to elucidate their structure-activity relationships (SARs), selectivity and activity in vivo. BMS-189664 (3) is identified as a potent, selective, and orally active reversible inhibitor of human alpha-thrombin which is efficacious in vivo ... aid7354.table aid7354.tbin
7355 2 Title: Discovery of CP-199,330 and CP-199,331: two potent and orally efficacious cysteinyl LT1 receptor antagonists devoid of liver toxicity. Abstract: CP-199,330 (3) and CP-199,331 (4) are cysLT1 receptor antagonists that are equipotent to marketed cysLT1 receptor antagonists zafirlukast and pranlukast, show good pharmacokinetics in rats and monkeys, and are devoid of liver toxicity in monkeys as seen in CP-85,958 (1). aid7355.table aid7355.tbin
7356 1 Compound was tested for bioavailability in squirrel monkey aid7356.table aid7356.tbin
7357 2 Title: Substituted 3-amino biaryl propionic acids as potent VLA-4 antagonists. Abstract: A series of substituted N-(3,5-dichlorobenzenesulfonyl)-(L)-prolyl- and (L)-azetidyl-beta-biaryl beta-alanine derivatives was prepared as selective and potent VLA-4 antagonists. The 2,6-dioxygenated biaryl substitution pattern is important for optimizing potency. Oral bioavailability was variable and may be a result of binding to circulating plasma proteins. aid7357.table aid7357.tbin
7358 2 Title: Substituted 3-amino biaryl propionic acids as potent VLA-4 antagonists. Abstract: A series of substituted N-(3,5-dichlorobenzenesulfonyl)-(L)-prolyl- and (L)-azetidyl-beta-biaryl beta-alanine derivatives was prepared as selective and potent VLA-4 antagonists. The 2,6-dioxygenated biaryl substitution pattern is important for optimizing potency. Oral bioavailability was variable and may be a result of binding to circulating plasma proteins. aid7358.table aid7358.tbin
7359 1 Title: Enhancement of pharmacokinetic properties and in vivo efficacy of benzylidene ketal M(2) muscarinic receptor antagonists via benzamide modification. Abstract: We previously reported the initial discovery of a novel class of stabilized benzylidene ketal M(2) receptor antagonists. This paper discusses new analogues consisting of benzamide modifications which not only improved M(2) receptor affinity and selectivity, but also enhanced the pharmacokinetic properties of the series. These change... aid7359.table aid7359.tbin
7360 1 Title: Enhancement of pharmacokinetic properties and in vivo efficacy of benzylidene ketal M(2) muscarinic receptor antagonists via benzamide modification. Abstract: We previously reported the initial discovery of a novel class of stabilized benzylidene ketal M(2) receptor antagonists. This paper discusses new analogues consisting of benzamide modifications which not only improved M(2) receptor affinity and selectivity, but also enhanced the pharmacokinetic properties of the series. These change... aid7360.table aid7360.tbin
7361 2 Title: Synthesis and biological evaluation of 2-indolyloxazolines as a new class of tubulin polymerization inhibitors. Discovery of A-289099 as an orally active antitumor agent. Abstract: A series of indole containing oxazolines has been discovered as a result of structural modifications of the lead compound A-105972. The compounds exert their anticancer activity through inhibition of tubulin polymerization by binding at the colchicine site. A-289099 was identified as an orally active antimitoti... aid7361.table aid7361.tbin
7362 1 Title: 4-[5-Fluoro-3-[4-(2-methyl-1H-imidazol-1-yl)benzyloxy]phenyl]-3,4,5,6- tetrahydro-2H-pyran-4-carboxamide, an orally active inhibitor of 5-lipoxygenase with improved pharmacokinetic and toxicology characteristics. Abstract: Described herein are structure-activity relationships (SARs) of 4-[5-fluoro-3-[4-(2-methyl-1H-imidazol-1-yl)benzyloxy]-phenyl]-4-methoxy-3,4,5,6-tetrahydro-2H-pyran (1, CJ-12,918), an imidazole 5-lipoxygenase (5-LO) inhibitor. When 1 was tested in preclinical studies, c... aid7362.table aid7362.tbin
7363 2 Title: Nonbenzamidine isoxazoline derivatives as factor Xa inhibitors. Abstract: Factor Xa (fXa) is an important serine protease in the blood coagulation cascade. Inhibition of fXa has emerged as an attractive target for potential therapeutic applications in the treatments of both arterial and venous thrombosis. Herein, we describe a series of non-benzamidine isoxazoline derivatives as fXa inhibitors. The chloroaniline group was found to be the most potent benzamidine mimic in this series. Chlor... aid7363.table aid7363.tbin
7364 1 Title: Nonbenzamidine isoxazoline derivatives as factor Xa inhibitors. Abstract: Factor Xa (fXa) is an important serine protease in the blood coagulation cascade. Inhibition of fXa has emerged as an attractive target for potential therapeutic applications in the treatments of both arterial and venous thrombosis. Herein, we describe a series of non-benzamidine isoxazoline derivatives as fXa inhibitors. The chloroaniline group was found to be the most potent benzamidine mimic in this series. Chlor... aid7364.table aid7364.tbin
7365 1 Title: Potent, selective 3-pyridylethanolamine beta3 adrenergic receptor agonists possessing a thiazole benzenesulfonamide pharmacophore. Abstract: A series of thiazole benzenesulfonamide-substituted 3-pyridylethanolamines was prepared and evaluated for their human beta3 adrenergic receptor agonist activity. Incorporation of aryl and heteroaryl substitution in the 4-position of the thiazole ring resulted in a number of highly potent and selective beta3 agonists. Results of preliminary in vivo ev... aid7365.table aid7365.tbin
7366 2 Plasma half life in dog aid7366.table aid7366.tbin
7367 1 Title: The discovery of sulfonylated dipeptides as potent VLA-4 antagonists. Abstract: Directed screening of a carboxylic acid-containing combinatorial library led to the discovery of potent inhibitors of the integrin VLA-4. Subsequent optimization by solid-phase synthesis afforded a series of sulfonylated dipeptide inhibitors with structural components that when combined in a single hybrid molecule gave a sub-nanomolar inhibitor as a lead for medicinal chemistry. Preliminary metabolic studies l... aid7367.table aid7367.tbin
7368 1 Title: Substituted N-(3,5-dichlorobenzenesulfonyl)-L-prolyl-phenylalanine analogues as potent VLA-4 antagonists. Abstract: A series of substituted N-(3,5-dichlorobenzenesulfonyl)-L-prolyl- and alpha-methyl-L-prolyl-phenylalanine derivatives was prepared as VLA-4/VCAM antagonists. The compounds showed excellent potency with a wide variety of neutral, polar, electron withdrawing or donating groups on the phenylalanine ring (IC50 approximately 1 nM). Heteroaryl ring substitution for phenylalanine w... aid7368.table aid7368.tbin
7369 1 Title: Substituted N-(3,5-dichlorobenzenesulfonyl)-L-prolyl-phenylalanine analogues as potent VLA-4 antagonists. Abstract: A series of substituted N-(3,5-dichlorobenzenesulfonyl)-L-prolyl- and alpha-methyl-L-prolyl-phenylalanine derivatives was prepared as VLA-4/VCAM antagonists. The compounds showed excellent potency with a wide variety of neutral, polar, electron withdrawing or donating groups on the phenylalanine ring (IC50 approximately 1 nM). Heteroaryl ring substitution for phenylalanine w... aid7369.table aid7369.tbin
7370 2 Tested for t1/2 upon intravenous administration of 5.0 mg/Kg dose in dog aid7370.table aid7370.tbin
7371 2 Tested for t1/2 upon peroral administration of 10.0 mg/Kg dose in dog aid7371.table aid7371.tbin
7372 20 Title: A combinatorial library of indinavir analogues and its in vitro and in vivo studies. Abstract: A combinatorial library of 300HIV protease inhibitors has been synthesized. The library was screened against recombinant wild-type and mutant HIV-1 protease enzymes. The pharmacokinetics of the library was evaluated by dosing in dogs. Compounds that are notably more potent than indinavir and have favorable pharmacokinetic properties were identified. aid7372.table aid7372.tbin
7373 3 Title: A combinatorial library of indinavir analogues and its in vitro and in vivo studies. Abstract: A combinatorial library of 300HIV protease inhibitors has been synthesized. The library was screened against recombinant wild-type and mutant HIV-1 protease enzymes. The pharmacokinetics of the library was evaluated by dosing in dogs. Compounds that are notably more potent than indinavir and have favorable pharmacokinetic properties were identified. aid7373.table aid7373.tbin
7374 1 Title: Human beta3-adrenergic receptor agonists containing 1,2,3-triazole-substituted benzenesulfonamides. Abstract: Compounds containing a 1,2,3-triazole-substituted benzenesulfonamide were prepared and found to be potent and selective human beta3-adrenergic receptor agonists. The most interesting compound, trifluoromethylbenzyl analogue 12e (beta3 EC50 = 3.1 nM with &gt;1500-fold selectivity over binding to both beta1- and beta2 receptors), stimulates lipolysis in the rhesus monkey (ED50 = 0.3... aid7374.table aid7374.tbin
7375 2 Title: Amidinohydrazones as guanidine bioisosteres: application to a new class of potent, selective and orally bioavailable, non-amide-based small-molecule thrombin inhibitors. Abstract: We describe a new class of potent, non-amide-based small molecule thrombin inhibitors in which an amidinohydrazone is used as a guanidine bioisostere on a non-peptide scaffold. Compound 4 exhibits nM inhibition of thrombin, is selective for thrombin, and shows 60 and 23% bioavailability in rabbits and dogs, resp... aid7375.table aid7375.tbin
7376 2 Title: Human beta3-adrenergic receptor agonists containing 1,2,3-triazole-substituted benzenesulfonamides. Abstract: Compounds containing a 1,2,3-triazole-substituted benzenesulfonamide were prepared and found to be potent and selective human beta3-adrenergic receptor agonists. The most interesting compound, trifluoromethylbenzyl analogue 12e (beta3 EC50 = 3.1 nM with &gt;1500-fold selectivity over binding to both beta1- and beta2 receptors), stimulates lipolysis in the rhesus monkey (ED50 = 0.3... aid7376.table aid7376.tbin
7377 1 Title: Synthesis and evaluation of furo[3,4-d]pyrimidinones as selective alpha1a-adrenergic receptor antagonists. Abstract: Furo[3,4-d]pyrimidinones were found to be metabolites of dihydropyrimidinones such as 1a-b that are subtype-selective antagonists of the alpha1a-adrenergic receptor. A versatile synthesis that provides access to furo[3,4-d]pyrimidinones in high yield and in enantiomerically pure forms is described along with structure-activity relationships in the series. aid7377.table aid7377.tbin
7378 1 Title: 3-Aminopyrrolidinone farnesyltransferase inhibitors: design of macrocyclic compounds with improved pharmacokinetics and excellent cell potency. Abstract: A series of macrocyclic 3-aminopyrrolidinone farnesyltransferase inhibitors (FTIs) has been synthesized. Compared with previously described linear 3-aminopyrrolidinone FTIs such as compound 1, macrocycles such as 49 combined improved pharmacokinetic properties with a reduced potential for side effects. In dogs, oral bioavailability was g... aid7378.table aid7378.tbin
7379 1 Title: Discovery of novel 2,8-diazaspiro[4.5]decanes as orally active glycoprotein IIb-IIIa antagonists. Abstract: In our efforts to develop orally active GPIIb-IIIa antagonists with improved pharmaceutical properties, we have utilized a novel 2,8-diazaspiro[4.5]decane scaffold as a template. We describe here our investigation of a variety of templates including spiropiperidinyl-gamma-lactams, spiropiperidinylimide, spiropiperidinylureas, and spiropiperidinylhydantoins. With the appropriate acid... aid7379.table aid7379.tbin
7380 1 Title: A simple stereoselective synthesis and biological evaluation of FR181157: orally active prostacyclin mimetic. Abstract: Synthetic method of a novel prostaglandin (PG) mimetic: FR181175 without PG skeleton are described. The key to success is creation of a chiral epoxide using Sharpless AD reaction with high ee yield. FR181157 shows high potency and agonist efficacy at the IP receptor and has good bioavailability. aid7380.table aid7380.tbin
7381 2 tmax upon peroral administration of 10.0 mg/Kg dose in dog aid7381.table aid7381.tbin
7382 1 Title: Design of selective thrombin inhibitors based on the (R)-Phe-Pro-Arg sequence. Abstract: Potent and selective inhibitors of thrombin were sought based on the (R)-Phe-Pro-Arg sequence. The objective was to generate similar binding interactions to those achieved by potent competitive inhibitors of the argatroban type, so eliminating the need for covalent interaction with the catalytic serine function, as utilized by aldehyde and boronic acid type inhibitors. Improving the S(1) subsite inter... aid7382.table aid7382.tbin
7383 1 Title: Substituted aminopyridines as potent and selective phosphodiesterase-4 inhibitors. Abstract: The synthesis and the biological evaluation of new potent phosphodiesterase type 4 (PDE4) inhibitors are presented. This new series was elaborated by replacement of the metabolically resistant phenyl hexafluorocarbinol of L-791,943 (1) by a substituted aminopyridine residue. The structure-activity relationship of N-substitution on 3 led to the identification of (-)-3n which exhibited a good PDE4 i... aid7383.table aid7383.tbin
7384 2 Title: Substituted aminopyridines as potent and selective phosphodiesterase-4 inhibitors. Abstract: The synthesis and the biological evaluation of new potent phosphodiesterase type 4 (PDE4) inhibitors are presented. This new series was elaborated by replacement of the metabolically resistant phenyl hexafluorocarbinol of L-791,943 (1) by a substituted aminopyridine residue. The structure-activity relationship of N-substitution on 3 led to the identification of (-)-3n which exhibited a good PDE4 i... aid7384.table aid7384.tbin
7385 1 Title: Discovery of novel 2,8-diazaspiro[4.5]decanes as orally active glycoprotein IIb-IIIa antagonists. Abstract: In our efforts to develop orally active GPIIb-IIIa antagonists with improved pharmaceutical properties, we have utilized a novel 2,8-diazaspiro[4.5]decane scaffold as a template. We describe here our investigation of a variety of templates including spiropiperidinyl-gamma-lactams, spiropiperidinylimide, spiropiperidinylureas, and spiropiperidinylhydantoins. With the appropriate acid... aid7385.table aid7385.tbin
7386 3 Title: Discovery of novel 2,8-diazaspiro[4.5]decanes as orally active glycoprotein IIb-IIIa antagonists. Abstract: In our efforts to develop orally active GPIIb-IIIa antagonists with improved pharmaceutical properties, we have utilized a novel 2,8-diazaspiro[4.5]decane scaffold as a template. We describe here our investigation of a variety of templates including spiropiperidinyl-gamma-lactams, spiropiperidinylimide, spiropiperidinylureas, and spiropiperidinylhydantoins. With the appropriate acid... aid7386.table aid7386.tbin
7387 1 Title: 7-Methoxyfuro[2,3-c]pyridine-4-carboxamides as PDE4 inhibitors: a potential treatment for asthma. Abstract: The synthesis and pharmacological profile of a novel series of 7-methoxy-furo[2,3-c]pyridine-4-carboxamides is described. Some of these compounds were found to be potent inhibitors of phosphodiesterase type 4 (PDE4). aid7387.table aid7387.tbin
7388 1 Title: 8-Methoxyquinolines as PDE4 inhibitors. Abstract: The synthesis and pharmacological profile of a novel series of 2-substituted 8-methoxyquinolines is described. The 2-trifluoromethyl compound was found to be a potent inhibitor of phosphodiesterase type 4 (PDE4). aid7388.table aid7388.tbin
7389 1 Title: 8-Methoxyquinoline-5-carboxamides as PDE4 inhibitors: a potential treatment for asthma. Abstract: A series of bicyclic heteroaryl ring systems was considered as a replacement for the 3-cyclopentyloxy-4-methoxyphenyl moiety in rolipram resulting in the discovery of 8-methoxyquinoline-5-carboxamides as potent inhibitors of phosphodiesterase type 4 (PDE4). aid7389.table aid7389.tbin
7390 2 Title: Synthesis and profile of SCH351591, a novel PDE4 inhibitor. Abstract: The syntheses and pharmacological profiles of some 2-trifluoromethyl-8-methoxyquinoline-5-carboxamides are described. SCH351591 is a potent selective inhibitor of phosphodiesterase type 4 (PDE4). aid7390.table aid7390.tbin
7391 1 Title: 7-Methoxyfuro[2,3-c]pyridine-4-carboxamides as PDE4 inhibitors: a potential treatment for asthma. Abstract: The synthesis and pharmacological profile of a novel series of 7-methoxy-furo[2,3-c]pyridine-4-carboxamides is described. Some of these compounds were found to be potent inhibitors of phosphodiesterase type 4 (PDE4). aid7391.table aid7391.tbin
7392 1 Title: 8-Methoxyquinolines as PDE4 inhibitors. Abstract: The synthesis and pharmacological profile of a novel series of 2-substituted 8-methoxyquinolines is described. The 2-trifluoromethyl compound was found to be a potent inhibitor of phosphodiesterase type 4 (PDE4). aid7392.table aid7392.tbin
7393 1 Title: 8-Methoxyquinoline-5-carboxamides as PDE4 inhibitors: a potential treatment for asthma. Abstract: A series of bicyclic heteroaryl ring systems was considered as a replacement for the 3-cyclopentyloxy-4-methoxyphenyl moiety in rolipram resulting in the discovery of 8-methoxyquinoline-5-carboxamides as potent inhibitors of phosphodiesterase type 4 (PDE4). aid7393.table aid7393.tbin
7394 1 Title: 8-Methoxyquinoline-5-carboxamides as PDE4 inhibitors: a potential treatment for asthma. Abstract: A series of bicyclic heteroaryl ring systems was considered as a replacement for the 3-cyclopentyloxy-4-methoxyphenyl moiety in rolipram resulting in the discovery of 8-methoxyquinoline-5-carboxamides as potent inhibitors of phosphodiesterase type 4 (PDE4). aid7394.table aid7394.tbin
7395 1 Title: 7-Methoxyfuro[2,3-c]pyridine-4-carboxamides as PDE4 inhibitors: a potential treatment for asthma. Abstract: The synthesis and pharmacological profile of a novel series of 7-methoxy-furo[2,3-c]pyridine-4-carboxamides is described. Some of these compounds were found to be potent inhibitors of phosphodiesterase type 4 (PDE4). aid7395.table aid7395.tbin
7396 1 Title: 8-Methoxyquinolines as PDE4 inhibitors. Abstract: The synthesis and pharmacological profile of a novel series of 2-substituted 8-methoxyquinolines is described. The 2-trifluoromethyl compound was found to be a potent inhibitor of phosphodiesterase type 4 (PDE4). aid7396.table aid7396.tbin
7397 2 Title: Synthesis and profile of SCH351591, a novel PDE4 inhibitor. Abstract: The syntheses and pharmacological profiles of some 2-trifluoromethyl-8-methoxyquinoline-5-carboxamides are described. SCH351591 is a potent selective inhibitor of phosphodiesterase type 4 (PDE4). aid7397.table aid7397.tbin
7398 1 Title: Synthesis and preliminary evaluation of (R,R)(S,S) 5-(2-(2-[4-(2-[(18)F]fluoroethoxy)phenyl]-1-methylethylamino)-1-hydroxyethyl)-benzene-1,3-diol ([(18)F]FEFE) for the in vivo visualisation and quantification of the beta2-adrenergic receptor status in lung. Abstract: The (18)F-labeled beta2-adrenergic receptor ligand (R,R)(S,S) 5-(2-(2-[4-(2-[(18)F]fluoroethoxy)phenyl]-1-methylethylamino)-1-hydroxyethyl)-benzene-1,3-diol, a derivative of the original highly selective racemic fenoterol, wa... aid7398.table aid7398.tbin
7399 1 Title: Synthesis and preliminary evaluation of (R,R)(S,S) 5-(2-(2-[4-(2-[(18)F]fluoroethoxy)phenyl]-1-methylethylamino)-1-hydroxyethyl)-benzene-1,3-diol ([(18)F]FEFE) for the in vivo visualisation and quantification of the beta2-adrenergic receptor status in lung. Abstract: The (18)F-labeled beta2-adrenergic receptor ligand (R,R)(S,S) 5-(2-(2-[4-(2-[(18)F]fluoroethoxy)phenyl]-1-methylethylamino)-1-hydroxyethyl)-benzene-1,3-diol, a derivative of the original highly selective racemic fenoterol, wa... aid7399.table aid7399.tbin
7400 1 Title: Synthesis and preliminary evaluation of (R,R)(S,S) 5-(2-(2-[4-(2-[(18)F]fluoroethoxy)phenyl]-1-methylethylamino)-1-hydroxyethyl)-benzene-1,3-diol ([(18)F]FEFE) for the in vivo visualisation and quantification of the beta2-adrenergic receptor status in lung. Abstract: The (18)F-labeled beta2-adrenergic receptor ligand (R,R)(S,S) 5-(2-(2-[4-(2-[(18)F]fluoroethoxy)phenyl]-1-methylethylamino)-1-hydroxyethyl)-benzene-1,3-diol, a derivative of the original highly selective racemic fenoterol, wa... aid7400.table aid7400.tbin
7401 1 Title: Synthesis and preliminary evaluation of (R,R)(S,S) 5-(2-(2-[4-(2-[(18)F]fluoroethoxy)phenyl]-1-methylethylamino)-1-hydroxyethyl)-benzene-1,3-diol ([(18)F]FEFE) for the in vivo visualisation and quantification of the beta2-adrenergic receptor status in lung. Abstract: The (18)F-labeled beta2-adrenergic receptor ligand (R,R)(S,S) 5-(2-(2-[4-(2-[(18)F]fluoroethoxy)phenyl]-1-methylethylamino)-1-hydroxyethyl)-benzene-1,3-diol, a derivative of the original highly selective racemic fenoterol, wa... aid7401.table aid7401.tbin
7402 1 Title: Synthesis and preliminary evaluation of (R,R)(S,S) 5-(2-(2-[4-(2-[(18)F]fluoroethoxy)phenyl]-1-methylethylamino)-1-hydroxyethyl)-benzene-1,3-diol ([(18)F]FEFE) for the in vivo visualisation and quantification of the beta2-adrenergic receptor status in lung. Abstract: The (18)F-labeled beta2-adrenergic receptor ligand (R,R)(S,S) 5-(2-(2-[4-(2-[(18)F]fluoroethoxy)phenyl]-1-methylethylamino)-1-hydroxyethyl)-benzene-1,3-diol, a derivative of the original highly selective racemic fenoterol, wa... aid7402.table aid7402.tbin
7403 1 Title: Synthesis and preliminary evaluation of (R,R)(S,S) 5-(2-(2-[4-(2-[(18)F]fluoroethoxy)phenyl]-1-methylethylamino)-1-hydroxyethyl)-benzene-1,3-diol ([(18)F]FEFE) for the in vivo visualisation and quantification of the beta2-adrenergic receptor status in lung. Abstract: The (18)F-labeled beta2-adrenergic receptor ligand (R,R)(S,S) 5-(2-(2-[4-(2-[(18)F]fluoroethoxy)phenyl]-1-methylethylamino)-1-hydroxyethyl)-benzene-1,3-diol, a derivative of the original highly selective racemic fenoterol, wa... aid7403.table aid7403.tbin
7404 1 Title: Synthesis and preliminary evaluation of (R,R)(S,S) 5-(2-(2-[4-(2-[(18)F]fluoroethoxy)phenyl]-1-methylethylamino)-1-hydroxyethyl)-benzene-1,3-diol ([(18)F]FEFE) for the in vivo visualisation and quantification of the beta2-adrenergic receptor status in lung. Abstract: The (18)F-labeled beta2-adrenergic receptor ligand (R,R)(S,S) 5-(2-(2-[4-(2-[(18)F]fluoroethoxy)phenyl]-1-methylethylamino)-1-hydroxyethyl)-benzene-1,3-diol, a derivative of the original highly selective racemic fenoterol, wa... aid7404.table aid7404.tbin
7405 1 Title: Synthesis and preliminary evaluation of (R,R)(S,S) 5-(2-(2-[4-(2-[(18)F]fluoroethoxy)phenyl]-1-methylethylamino)-1-hydroxyethyl)-benzene-1,3-diol ([(18)F]FEFE) for the in vivo visualisation and quantification of the beta2-adrenergic receptor status in lung. Abstract: The (18)F-labeled beta2-adrenergic receptor ligand (R,R)(S,S) 5-(2-(2-[4-(2-[(18)F]fluoroethoxy)phenyl]-1-methylethylamino)-1-hydroxyethyl)-benzene-1,3-diol, a derivative of the original highly selective racemic fenoterol, wa... aid7405.table aid7405.tbin
7406 27 Title: GPIIb/IIIa integrin antagonists with the new conformational restriction unit, trisubstituted beta-amino acid derivatives, and a substituted benzamidine structure. Abstract: Ethyl N-[3-(2-fluoro-4-(thiazolidin-3-yl(imino)methyl)benzoyl)amino-2, 2-dimethylpentanoyl]piperidine-4-acetate 40 (NSL-96184) is a highly potent and orally active fibrinogen receptor antagonist, which is characterized by the presence of the trisubstituted beta-amino acid residue, 3-ethyl-2,2-dimethyl-beta-alanine. Thi... aid7406.table aid7406.tbin
7407 1 Title: Synthesis and preliminary evaluation of (R,R)(S,S) 5-(2-(2-[4-(2-[(18)F]fluoroethoxy)phenyl]-1-methylethylamino)-1-hydroxyethyl)-benzene-1,3-diol ([(18)F]FEFE) for the in vivo visualisation and quantification of the beta2-adrenergic receptor status in lung. Abstract: The (18)F-labeled beta2-adrenergic receptor ligand (R,R)(S,S) 5-(2-(2-[4-(2-[(18)F]fluoroethoxy)phenyl]-1-methylethylamino)-1-hydroxyethyl)-benzene-1,3-diol, a derivative of the original highly selective racemic fenoterol, wa... aid7407.table aid7407.tbin
7408 1 Biological half life when administered at 0.1 umol/kg intravenously to guinea pig in GR-64349 antagonism aid7408.table aid7408.tbin
7409 2 Biological half life when administered at 5 umol/kg intravenously to guinea pig in GR-64349 antagonism aid7409.table aid7409.tbin
7410 1 Title: GPIIb/IIIa integrin antagonists with the new conformational restriction unit, trisubstituted beta-amino acid derivatives, and a substituted benzamidine structure. Abstract: Ethyl N-[3-(2-fluoro-4-(thiazolidin-3-yl(imino)methyl)benzoyl)amino-2, 2-dimethylpentanoyl]piperidine-4-acetate 40 (NSL-96184) is a highly potent and orally active fibrinogen receptor antagonist, which is characterized by the presence of the trisubstituted beta-amino acid residue, 3-ethyl-2,2-dimethyl-beta-alanine. Thi... aid7410.table aid7410.tbin
7411 1 Title: 8-Methoxyquinoline-5-carboxamides as PDE4 inhibitors: a potential treatment for asthma. Abstract: A series of bicyclic heteroaryl ring systems was considered as a replacement for the 3-cyclopentyloxy-4-methoxyphenyl moiety in rolipram resulting in the discovery of 8-methoxyquinoline-5-carboxamides as potent inhibitors of phosphodiesterase type 4 (PDE4). aid7411.table aid7411.tbin
7412 1 Title: Synthesis and preliminary evaluation of (R,R)(S,S) 5-(2-(2-[4-(2-[(18)F]fluoroethoxy)phenyl]-1-methylethylamino)-1-hydroxyethyl)-benzene-1,3-diol ([(18)F]FEFE) for the in vivo visualisation and quantification of the beta2-adrenergic receptor status in lung. Abstract: The (18)F-labeled beta2-adrenergic receptor ligand (R,R)(S,S) 5-(2-(2-[4-(2-[(18)F]fluoroethoxy)phenyl]-1-methylethylamino)-1-hydroxyethyl)-benzene-1,3-diol, a derivative of the original highly selective racemic fenoterol, wa... aid7412.table aid7412.tbin
7413 1 Title: Cardenolide analogues. 14. Synthesis and biological activity of glucosides of C17 beta-modified derivatives of digitoxigenin. Abstract: An improved method for the synthesis of cardiac glycosides was used to prepare 3 beta-glucosides of digitoxigenin derivatives in which the 17 beta side chain was CH=CHX (X = COOH, CONH2, COCH3, CN, or COOR). We compared the inotropic activity of the compounds with that of digitoxigenin glucoside using guinea pig left atria. All compounds were active excep... aid7413.table aid7413.tbin
7414 1 Title: 4-[5-Fluoro-3-[4-(2-methyl-1H-imidazol-1-yl)benzyloxy]phenyl]-3,4,5,6- tetrahydro-2H-pyran-4-carboxamide, an orally active inhibitor of 5-lipoxygenase with improved pharmacokinetic and toxicology characteristics. Abstract: Described herein are structure-activity relationships (SARs) of 4-[5-fluoro-3-[4-(2-methyl-1H-imidazol-1-yl)benzyloxy]-phenyl]-4-methoxy-3,4,5,6-tetrahydro-2H-pyran (1, CJ-12,918), an imidazole 5-lipoxygenase (5-LO) inhibitor. When 1 was tested in preclinical studies, c... aid7414.table aid7414.tbin
7415 1 Title: 4-[5-Fluoro-3-[4-(2-methyl-1H-imidazol-1-yl)benzyloxy]phenyl]-3,4,5,6- tetrahydro-2H-pyran-4-carboxamide, an orally active inhibitor of 5-lipoxygenase with improved pharmacokinetic and toxicology characteristics. Abstract: Described herein are structure-activity relationships (SARs) of 4-[5-fluoro-3-[4-(2-methyl-1H-imidazol-1-yl)benzyloxy]-phenyl]-4-methoxy-3,4,5,6-tetrahydro-2H-pyran (1, CJ-12,918), an imidazole 5-lipoxygenase (5-LO) inhibitor. When 1 was tested in preclinical studies, c... aid7415.table aid7415.tbin
7416 1 Title: The discovery of a potent, intracellular, orally bioavailable, long duration inhibitor of human neutrophil elastase--GW311616A a development candidate. Abstract: The discovery of a potent intracellular inhibitor of human neutrophil elastase which is orally active and has a long duration of action is described. The pharmacodynamic and pharmacokinetic properties of a trans-lactam development candidate, GW311616A, are described. aid7416.table aid7416.tbin
7417 1 Title: Synthesis and tumor uptake of 5-82Br- and 5-131I-labeled 5-halo-1-(2-fluoro-2-deoxy-beta-D-ribofuranosyl)uracils. Abstract: A synthesis of 5-bromo- and 5-iodo-1-(2-fluoro-2-deoxy-beta-D-ribofuranosyl)uracil (3 and 4) and their 5-82Br and 5-131I analogues has been developed. The tissue distribution of the radiolabeled compounds in BDF1 mice bearing Lewis lung tumors has been investigated. After injection of the radiolabeled analogues of compounds 3 and 4 there was a rapid initial excretion... aid7417.table aid7417.tbin
7418 1 Title: Synthesis and tumor uptake of 5-82Br- and 5-131I-labeled 5-halo-1-(2-fluoro-2-deoxy-beta-D-ribofuranosyl)uracils. Abstract: A synthesis of 5-bromo- and 5-iodo-1-(2-fluoro-2-deoxy-beta-D-ribofuranosyl)uracil (3 and 4) and their 5-82Br and 5-131I analogues has been developed. The tissue distribution of the radiolabeled compounds in BDF1 mice bearing Lewis lung tumors has been investigated. After injection of the radiolabeled analogues of compounds 3 and 4 there was a rapid initial excretion... aid7418.table aid7418.tbin
7419 1 Title: Synthesis and tumor uptake of 5-82Br- and 5-131I-labeled 5-halo-1-(2-fluoro-2-deoxy-beta-D-ribofuranosyl)uracils. Abstract: A synthesis of 5-bromo- and 5-iodo-1-(2-fluoro-2-deoxy-beta-D-ribofuranosyl)uracil (3 and 4) and their 5-82Br and 5-131I analogues has been developed. The tissue distribution of the radiolabeled compounds in BDF1 mice bearing Lewis lung tumors has been investigated. After injection of the radiolabeled analogues of compounds 3 and 4 there was a rapid initial excretion... aid7419.table aid7419.tbin
7420 1 Title: Synthesis and tumor uptake of 5-82Br- and 5-131I-labeled 5-halo-1-(2-fluoro-2-deoxy-beta-D-ribofuranosyl)uracils. Abstract: A synthesis of 5-bromo- and 5-iodo-1-(2-fluoro-2-deoxy-beta-D-ribofuranosyl)uracil (3 and 4) and their 5-82Br and 5-131I analogues has been developed. The tissue distribution of the radiolabeled compounds in BDF1 mice bearing Lewis lung tumors has been investigated. After injection of the radiolabeled analogues of compounds 3 and 4 there was a rapid initial excretion... aid7420.table aid7420.tbin
7421 1 Title: Synthesis and tumor uptake of 5-82Br- and 5-131I-labeled 5-halo-1-(2-fluoro-2-deoxy-beta-D-ribofuranosyl)uracils. Abstract: A synthesis of 5-bromo- and 5-iodo-1-(2-fluoro-2-deoxy-beta-D-ribofuranosyl)uracil (3 and 4) and their 5-82Br and 5-131I analogues has been developed. The tissue distribution of the radiolabeled compounds in BDF1 mice bearing Lewis lung tumors has been investigated. After injection of the radiolabeled analogues of compounds 3 and 4 there was a rapid initial excretion... aid7421.table aid7421.tbin
7422 1 Title: Synthesis and tumor uptake of 5-82Br- and 5-131I-labeled 5-halo-1-(2-fluoro-2-deoxy-beta-D-ribofuranosyl)uracils. Abstract: A synthesis of 5-bromo- and 5-iodo-1-(2-fluoro-2-deoxy-beta-D-ribofuranosyl)uracil (3 and 4) and their 5-82Br and 5-131I analogues has been developed. The tissue distribution of the radiolabeled compounds in BDF1 mice bearing Lewis lung tumors has been investigated. After injection of the radiolabeled analogues of compounds 3 and 4 there was a rapid initial excretion... aid7422.table aid7422.tbin
7423 1 Title: Synthesis and tumor uptake of 5-82Br- and 5-131I-labeled 5-halo-1-(2-fluoro-2-deoxy-beta-D-ribofuranosyl)uracils. Abstract: A synthesis of 5-bromo- and 5-iodo-1-(2-fluoro-2-deoxy-beta-D-ribofuranosyl)uracil (3 and 4) and their 5-82Br and 5-131I analogues has been developed. The tissue distribution of the radiolabeled compounds in BDF1 mice bearing Lewis lung tumors has been investigated. After injection of the radiolabeled analogues of compounds 3 and 4 there was a rapid initial excretion... aid7423.table aid7423.tbin
7424 1 Title: Synthesis, radiolabelling and biological characterization of (D)-7-iodo-N-(1-phosphonoethyl)-5-aminomethylquinoxaline-2,3-dione, a glycine-binding site antagonist of NMDA receptors. Abstract: (D)-7-Iodo-N-(1-phosphonoethyl)-5-aminomethylquinoxaline-2,3 -dione (I-PAMQX), is a potent, in vivo active antagonist acting at the glycine binding site of the NMDA receptor complex. Radioiodinated [131I]I-PAMQX was prepared with good yields and high specific activity from its 7-bromo analogue. Biodi... aid7424.table aid7424.tbin
7425 1 Title: Synthesis, radiolabelling and biological characterization of (D)-7-iodo-N-(1-phosphonoethyl)-5-aminomethylquinoxaline-2,3-dione, a glycine-binding site antagonist of NMDA receptors. Abstract: (D)-7-Iodo-N-(1-phosphonoethyl)-5-aminomethylquinoxaline-2,3 -dione (I-PAMQX), is a potent, in vivo active antagonist acting at the glycine binding site of the NMDA receptor complex. Radioiodinated [131I]I-PAMQX was prepared with good yields and high specific activity from its 7-bromo analogue. Biodi... aid7425.table aid7425.tbin
7426 1 Title: Synthesis, radiolabelling and biological characterization of (D)-7-iodo-N-(1-phosphonoethyl)-5-aminomethylquinoxaline-2,3-dione, a glycine-binding site antagonist of NMDA receptors. Abstract: (D)-7-Iodo-N-(1-phosphonoethyl)-5-aminomethylquinoxaline-2,3 -dione (I-PAMQX), is a potent, in vivo active antagonist acting at the glycine binding site of the NMDA receptor complex. Radioiodinated [131I]I-PAMQX was prepared with good yields and high specific activity from its 7-bromo analogue. Biodi... aid7426.table aid7426.tbin
7427 1 Title: Synthesis, radiolabelling and biological characterization of (D)-7-iodo-N-(1-phosphonoethyl)-5-aminomethylquinoxaline-2,3-dione, a glycine-binding site antagonist of NMDA receptors. Abstract: (D)-7-Iodo-N-(1-phosphonoethyl)-5-aminomethylquinoxaline-2,3 -dione (I-PAMQX), is a potent, in vivo active antagonist acting at the glycine binding site of the NMDA receptor complex. Radioiodinated [131I]I-PAMQX was prepared with good yields and high specific activity from its 7-bromo analogue. Biodi... aid7427.table aid7427.tbin
7428 1 Title: Synthesis, radiolabelling and biological characterization of (D)-7-iodo-N-(1-phosphonoethyl)-5-aminomethylquinoxaline-2,3-dione, a glycine-binding site antagonist of NMDA receptors. Abstract: (D)-7-Iodo-N-(1-phosphonoethyl)-5-aminomethylquinoxaline-2,3 -dione (I-PAMQX), is a potent, in vivo active antagonist acting at the glycine binding site of the NMDA receptor complex. Radioiodinated [131I]I-PAMQX was prepared with good yields and high specific activity from its 7-bromo analogue. Biodi... aid7428.table aid7428.tbin
7429 1 Title: Synthesis, radiolabelling and biological characterization of (D)-7-iodo-N-(1-phosphonoethyl)-5-aminomethylquinoxaline-2,3-dione, a glycine-binding site antagonist of NMDA receptors. Abstract: (D)-7-Iodo-N-(1-phosphonoethyl)-5-aminomethylquinoxaline-2,3 -dione (I-PAMQX), is a potent, in vivo active antagonist acting at the glycine binding site of the NMDA receptor complex. Radioiodinated [131I]I-PAMQX was prepared with good yields and high specific activity from its 7-bromo analogue. Biodi... aid7429.table aid7429.tbin
7430 1 Title: Synthesis, radiolabelling and biological characterization of (D)-7-iodo-N-(1-phosphonoethyl)-5-aminomethylquinoxaline-2,3-dione, a glycine-binding site antagonist of NMDA receptors. Abstract: (D)-7-Iodo-N-(1-phosphonoethyl)-5-aminomethylquinoxaline-2,3 -dione (I-PAMQX), is a potent, in vivo active antagonist acting at the glycine binding site of the NMDA receptor complex. Radioiodinated [131I]I-PAMQX was prepared with good yields and high specific activity from its 7-bromo analogue. Biodi... aid7430.table aid7430.tbin
7431 1 Title: Synthesis, radiolabelling and biological characterization of (D)-7-iodo-N-(1-phosphonoethyl)-5-aminomethylquinoxaline-2,3-dione, a glycine-binding site antagonist of NMDA receptors. Abstract: (D)-7-Iodo-N-(1-phosphonoethyl)-5-aminomethylquinoxaline-2,3 -dione (I-PAMQX), is a potent, in vivo active antagonist acting at the glycine binding site of the NMDA receptor complex. Radioiodinated [131I]I-PAMQX was prepared with good yields and high specific activity from its 7-bromo analogue. Biodi... aid7431.table aid7431.tbin
7432 1 Title: Synthesis, radiolabelling and biological characterization of (D)-7-iodo-N-(1-phosphonoethyl)-5-aminomethylquinoxaline-2,3-dione, a glycine-binding site antagonist of NMDA receptors. Abstract: (D)-7-Iodo-N-(1-phosphonoethyl)-5-aminomethylquinoxaline-2,3 -dione (I-PAMQX), is a potent, in vivo active antagonist acting at the glycine binding site of the NMDA receptor complex. Radioiodinated [131I]I-PAMQX was prepared with good yields and high specific activity from its 7-bromo analogue. Biodi... aid7432.table aid7432.tbin
7433 1 Title: Synthesis, radiolabelling and biological characterization of (D)-7-iodo-N-(1-phosphonoethyl)-5-aminomethylquinoxaline-2,3-dione, a glycine-binding site antagonist of NMDA receptors. Abstract: (D)-7-Iodo-N-(1-phosphonoethyl)-5-aminomethylquinoxaline-2,3 -dione (I-PAMQX), is a potent, in vivo active antagonist acting at the glycine binding site of the NMDA receptor complex. Radioiodinated [131I]I-PAMQX was prepared with good yields and high specific activity from its 7-bromo analogue. Biodi... aid7433.table aid7433.tbin
7434 1 Title: Synthesis, radiolabelling and biological characterization of (D)-7-iodo-N-(1-phosphonoethyl)-5-aminomethylquinoxaline-2,3-dione, a glycine-binding site antagonist of NMDA receptors. Abstract: (D)-7-Iodo-N-(1-phosphonoethyl)-5-aminomethylquinoxaline-2,3 -dione (I-PAMQX), is a potent, in vivo active antagonist acting at the glycine binding site of the NMDA receptor complex. Radioiodinated [131I]I-PAMQX was prepared with good yields and high specific activity from its 7-bromo analogue. Biodi... aid7434.table aid7434.tbin
7435 1 Title: Synthesis, radiolabelling and biological characterization of (D)-7-iodo-N-(1-phosphonoethyl)-5-aminomethylquinoxaline-2,3-dione, a glycine-binding site antagonist of NMDA receptors. Abstract: (D)-7-Iodo-N-(1-phosphonoethyl)-5-aminomethylquinoxaline-2,3 -dione (I-PAMQX), is a potent, in vivo active antagonist acting at the glycine binding site of the NMDA receptor complex. Radioiodinated [131I]I-PAMQX was prepared with good yields and high specific activity from its 7-bromo analogue. Biodi... aid7435.table aid7435.tbin
7436 1 Title: Synthesis, radiolabelling and biological characterization of (D)-7-iodo-N-(1-phosphonoethyl)-5-aminomethylquinoxaline-2,3-dione, a glycine-binding site antagonist of NMDA receptors. Abstract: (D)-7-Iodo-N-(1-phosphonoethyl)-5-aminomethylquinoxaline-2,3 -dione (I-PAMQX), is a potent, in vivo active antagonist acting at the glycine binding site of the NMDA receptor complex. Radioiodinated [131I]I-PAMQX was prepared with good yields and high specific activity from its 7-bromo analogue. Biodi... aid7436.table aid7436.tbin
7437 1 Title: Synthesis, radiolabelling and biological characterization of (D)-7-iodo-N-(1-phosphonoethyl)-5-aminomethylquinoxaline-2,3-dione, a glycine-binding site antagonist of NMDA receptors. Abstract: (D)-7-Iodo-N-(1-phosphonoethyl)-5-aminomethylquinoxaline-2,3 -dione (I-PAMQX), is a potent, in vivo active antagonist acting at the glycine binding site of the NMDA receptor complex. Radioiodinated [131I]I-PAMQX was prepared with good yields and high specific activity from its 7-bromo analogue. Biodi... aid7437.table aid7437.tbin
7438 1 Title: Synthesis, radiolabelling and biological characterization of (D)-7-iodo-N-(1-phosphonoethyl)-5-aminomethylquinoxaline-2,3-dione, a glycine-binding site antagonist of NMDA receptors. Abstract: (D)-7-Iodo-N-(1-phosphonoethyl)-5-aminomethylquinoxaline-2,3 -dione (I-PAMQX), is a potent, in vivo active antagonist acting at the glycine binding site of the NMDA receptor complex. Radioiodinated [131I]I-PAMQX was prepared with good yields and high specific activity from its 7-bromo analogue. Biodi... aid7438.table aid7438.tbin
7439 1 Title: Synthesis, radiolabelling and biological characterization of (D)-7-iodo-N-(1-phosphonoethyl)-5-aminomethylquinoxaline-2,3-dione, a glycine-binding site antagonist of NMDA receptors. Abstract: (D)-7-Iodo-N-(1-phosphonoethyl)-5-aminomethylquinoxaline-2,3 -dione (I-PAMQX), is a potent, in vivo active antagonist acting at the glycine binding site of the NMDA receptor complex. Radioiodinated [131I]I-PAMQX was prepared with good yields and high specific activity from its 7-bromo analogue. Biodi... aid7439.table aid7439.tbin
7440 1 Title: Synthesis, radiolabelling and biological characterization of (D)-7-iodo-N-(1-phosphonoethyl)-5-aminomethylquinoxaline-2,3-dione, a glycine-binding site antagonist of NMDA receptors. Abstract: (D)-7-Iodo-N-(1-phosphonoethyl)-5-aminomethylquinoxaline-2,3 -dione (I-PAMQX), is a potent, in vivo active antagonist acting at the glycine binding site of the NMDA receptor complex. Radioiodinated [131I]I-PAMQX was prepared with good yields and high specific activity from its 7-bromo analogue. Biodi... aid7440.table aid7440.tbin
7441 1 Title: Synthesis, radiolabelling and biological characterization of (D)-7-iodo-N-(1-phosphonoethyl)-5-aminomethylquinoxaline-2,3-dione, a glycine-binding site antagonist of NMDA receptors. Abstract: (D)-7-Iodo-N-(1-phosphonoethyl)-5-aminomethylquinoxaline-2,3 -dione (I-PAMQX), is a potent, in vivo active antagonist acting at the glycine binding site of the NMDA receptor complex. Radioiodinated [131I]I-PAMQX was prepared with good yields and high specific activity from its 7-bromo analogue. Biodi... aid7441.table aid7441.tbin
7442 1 Title: Synthesis, radiolabelling and biological characterization of (D)-7-iodo-N-(1-phosphonoethyl)-5-aminomethylquinoxaline-2,3-dione, a glycine-binding site antagonist of NMDA receptors. Abstract: (D)-7-Iodo-N-(1-phosphonoethyl)-5-aminomethylquinoxaline-2,3 -dione (I-PAMQX), is a potent, in vivo active antagonist acting at the glycine binding site of the NMDA receptor complex. Radioiodinated [131I]I-PAMQX was prepared with good yields and high specific activity from its 7-bromo analogue. Biodi... aid7442.table aid7442.tbin
7443 1 Title: Synthesis, radiolabelling and biological characterization of (D)-7-iodo-N-(1-phosphonoethyl)-5-aminomethylquinoxaline-2,3-dione, a glycine-binding site antagonist of NMDA receptors. Abstract: (D)-7-Iodo-N-(1-phosphonoethyl)-5-aminomethylquinoxaline-2,3 -dione (I-PAMQX), is a potent, in vivo active antagonist acting at the glycine binding site of the NMDA receptor complex. Radioiodinated [131I]I-PAMQX was prepared with good yields and high specific activity from its 7-bromo analogue. Biodi... aid7443.table aid7443.tbin
7444 1 Title: Synthesis, radiolabelling and biological characterization of (D)-7-iodo-N-(1-phosphonoethyl)-5-aminomethylquinoxaline-2,3-dione, a glycine-binding site antagonist of NMDA receptors. Abstract: (D)-7-Iodo-N-(1-phosphonoethyl)-5-aminomethylquinoxaline-2,3 -dione (I-PAMQX), is a potent, in vivo active antagonist acting at the glycine binding site of the NMDA receptor complex. Radioiodinated [131I]I-PAMQX was prepared with good yields and high specific activity from its 7-bromo analogue. Biodi... aid7444.table aid7444.tbin
7445 1 Title: Synthesis, radiolabelling and biological characterization of (D)-7-iodo-N-(1-phosphonoethyl)-5-aminomethylquinoxaline-2,3-dione, a glycine-binding site antagonist of NMDA receptors. Abstract: (D)-7-Iodo-N-(1-phosphonoethyl)-5-aminomethylquinoxaline-2,3 -dione (I-PAMQX), is a potent, in vivo active antagonist acting at the glycine binding site of the NMDA receptor complex. Radioiodinated [131I]I-PAMQX was prepared with good yields and high specific activity from its 7-bromo analogue. Biodi... aid7445.table aid7445.tbin
7446 1 Title: Synthesis, radiolabelling and biological characterization of (D)-7-iodo-N-(1-phosphonoethyl)-5-aminomethylquinoxaline-2,3-dione, a glycine-binding site antagonist of NMDA receptors. Abstract: (D)-7-Iodo-N-(1-phosphonoethyl)-5-aminomethylquinoxaline-2,3 -dione (I-PAMQX), is a potent, in vivo active antagonist acting at the glycine binding site of the NMDA receptor complex. Radioiodinated [131I]I-PAMQX was prepared with good yields and high specific activity from its 7-bromo analogue. Biodi... aid7446.table aid7446.tbin
7447 1 Title: Synthesis, radiolabelling and biological characterization of (D)-7-iodo-N-(1-phosphonoethyl)-5-aminomethylquinoxaline-2,3-dione, a glycine-binding site antagonist of NMDA receptors. Abstract: (D)-7-Iodo-N-(1-phosphonoethyl)-5-aminomethylquinoxaline-2,3 -dione (I-PAMQX), is a potent, in vivo active antagonist acting at the glycine binding site of the NMDA receptor complex. Radioiodinated [131I]I-PAMQX was prepared with good yields and high specific activity from its 7-bromo analogue. Biodi... aid7447.table aid7447.tbin
7448 1 Title: Synthesis, radiolabelling and biological characterization of (D)-7-iodo-N-(1-phosphonoethyl)-5-aminomethylquinoxaline-2,3-dione, a glycine-binding site antagonist of NMDA receptors. Abstract: (D)-7-Iodo-N-(1-phosphonoethyl)-5-aminomethylquinoxaline-2,3 -dione (I-PAMQX), is a potent, in vivo active antagonist acting at the glycine binding site of the NMDA receptor complex. Radioiodinated [131I]I-PAMQX was prepared with good yields and high specific activity from its 7-bromo analogue. Biodi... aid7448.table aid7448.tbin
7449 1 Title: Synthesis, radiolabelling and biological characterization of (D)-7-iodo-N-(1-phosphonoethyl)-5-aminomethylquinoxaline-2,3-dione, a glycine-binding site antagonist of NMDA receptors. Abstract: (D)-7-Iodo-N-(1-phosphonoethyl)-5-aminomethylquinoxaline-2,3 -dione (I-PAMQX), is a potent, in vivo active antagonist acting at the glycine binding site of the NMDA receptor complex. Radioiodinated [131I]I-PAMQX was prepared with good yields and high specific activity from its 7-bromo analogue. Biodi... aid7449.table aid7449.tbin
7450 1 Title: Synthesis, radiolabelling and biological characterization of (D)-7-iodo-N-(1-phosphonoethyl)-5-aminomethylquinoxaline-2,3-dione, a glycine-binding site antagonist of NMDA receptors. Abstract: (D)-7-Iodo-N-(1-phosphonoethyl)-5-aminomethylquinoxaline-2,3 -dione (I-PAMQX), is a potent, in vivo active antagonist acting at the glycine binding site of the NMDA receptor complex. Radioiodinated [131I]I-PAMQX was prepared with good yields and high specific activity from its 7-bromo analogue. Biodi... aid7450.table aid7450.tbin
7451 1 Title: Synthesis, radiolabelling and biological characterization of (D)-7-iodo-N-(1-phosphonoethyl)-5-aminomethylquinoxaline-2,3-dione, a glycine-binding site antagonist of NMDA receptors. Abstract: (D)-7-Iodo-N-(1-phosphonoethyl)-5-aminomethylquinoxaline-2,3 -dione (I-PAMQX), is a potent, in vivo active antagonist acting at the glycine binding site of the NMDA receptor complex. Radioiodinated [131I]I-PAMQX was prepared with good yields and high specific activity from its 7-bromo analogue. Biodi... aid7451.table aid7451.tbin
7452 1 Title: Synthesis, radiolabelling and biological characterization of (D)-7-iodo-N-(1-phosphonoethyl)-5-aminomethylquinoxaline-2,3-dione, a glycine-binding site antagonist of NMDA receptors. Abstract: (D)-7-Iodo-N-(1-phosphonoethyl)-5-aminomethylquinoxaline-2,3 -dione (I-PAMQX), is a potent, in vivo active antagonist acting at the glycine binding site of the NMDA receptor complex. Radioiodinated [131I]I-PAMQX was prepared with good yields and high specific activity from its 7-bromo analogue. Biodi... aid7452.table aid7452.tbin
7453 1 Title: Synthesis, radiolabelling and biological characterization of (D)-7-iodo-N-(1-phosphonoethyl)-5-aminomethylquinoxaline-2,3-dione, a glycine-binding site antagonist of NMDA receptors. Abstract: (D)-7-Iodo-N-(1-phosphonoethyl)-5-aminomethylquinoxaline-2,3 -dione (I-PAMQX), is a potent, in vivo active antagonist acting at the glycine binding site of the NMDA receptor complex. Radioiodinated [131I]I-PAMQX was prepared with good yields and high specific activity from its 7-bromo analogue. Biodi... aid7453.table aid7453.tbin
7454 1 Title: Synthesis, radiolabelling and biological characterization of (D)-7-iodo-N-(1-phosphonoethyl)-5-aminomethylquinoxaline-2,3-dione, a glycine-binding site antagonist of NMDA receptors. Abstract: (D)-7-Iodo-N-(1-phosphonoethyl)-5-aminomethylquinoxaline-2,3 -dione (I-PAMQX), is a potent, in vivo active antagonist acting at the glycine binding site of the NMDA receptor complex. Radioiodinated [131I]I-PAMQX was prepared with good yields and high specific activity from its 7-bromo analogue. Biodi... aid7454.table aid7454.tbin
7455 1 Title: Synthesis, radiolabelling and biological characterization of (D)-7-iodo-N-(1-phosphonoethyl)-5-aminomethylquinoxaline-2,3-dione, a glycine-binding site antagonist of NMDA receptors. Abstract: (D)-7-Iodo-N-(1-phosphonoethyl)-5-aminomethylquinoxaline-2,3 -dione (I-PAMQX), is a potent, in vivo active antagonist acting at the glycine binding site of the NMDA receptor complex. Radioiodinated [131I]I-PAMQX was prepared with good yields and high specific activity from its 7-bromo analogue. Biodi... aid7455.table aid7455.tbin
7456 1 Title: Synthesis, radiolabelling and biological characterization of (D)-7-iodo-N-(1-phosphonoethyl)-5-aminomethylquinoxaline-2,3-dione, a glycine-binding site antagonist of NMDA receptors. Abstract: (D)-7-Iodo-N-(1-phosphonoethyl)-5-aminomethylquinoxaline-2,3 -dione (I-PAMQX), is a potent, in vivo active antagonist acting at the glycine binding site of the NMDA receptor complex. Radioiodinated [131I]I-PAMQX was prepared with good yields and high specific activity from its 7-bromo analogue. Biodi... aid7456.table aid7456.tbin
7457 1 Title: Discovery of aminothiazole inhibitors of cyclin-dependent kinase 2: synthesis, X-ray crystallographic analysis, and biological activities. Abstract: High throughput screening identified 2-acetamido-thiazolylthio acetic ester 1 as an inhibitor of cyclin-dependent kinase 2 (CDK2). Because this compound is inactive in cells and unstable in plasma, we have stabilized it to metabolic hydrolysis by replacing the ester moiety with a 5-ethyl-substituted oxazole as in compound 14. Combinatorial an... aid7457.table aid7457.tbin
7458 2 Title: Discovery of aminothiazole inhibitors of cyclin-dependent kinase 2: synthesis, X-ray crystallographic analysis, and biological activities. Abstract: High throughput screening identified 2-acetamido-thiazolylthio acetic ester 1 as an inhibitor of cyclin-dependent kinase 2 (CDK2). Because this compound is inactive in cells and unstable in plasma, we have stabilized it to metabolic hydrolysis by replacing the ester moiety with a 5-ethyl-substituted oxazole as in compound 14. Combinatorial an... aid7458.table aid7458.tbin
7459 1 Title: Discovery of aminothiazole inhibitors of cyclin-dependent kinase 2: synthesis, X-ray crystallographic analysis, and biological activities. Abstract: High throughput screening identified 2-acetamido-thiazolylthio acetic ester 1 as an inhibitor of cyclin-dependent kinase 2 (CDK2). Because this compound is inactive in cells and unstable in plasma, we have stabilized it to metabolic hydrolysis by replacing the ester moiety with a 5-ethyl-substituted oxazole as in compound 14. Combinatorial an... aid7459.table aid7459.tbin
7460 1 Title: Discovery of aminothiazole inhibitors of cyclin-dependent kinase 2: synthesis, X-ray crystallographic analysis, and biological activities. Abstract: High throughput screening identified 2-acetamido-thiazolylthio acetic ester 1 as an inhibitor of cyclin-dependent kinase 2 (CDK2). Because this compound is inactive in cells and unstable in plasma, we have stabilized it to metabolic hydrolysis by replacing the ester moiety with a 5-ethyl-substituted oxazole as in compound 14. Combinatorial an... aid7460.table aid7460.tbin
7461 1 Title: N-(cycloalkylamino)acyl-2-aminothiazole inhibitors of cyclin-dependent kinase 2. N-[5-[[[5-(1,1-dimethylethyl)-2-oxazolyl]methyl]thio]-2-thiazolyl]-4- piperidinecarboxamide (BMS-387032), a highly efficacious and selective antitumor agent. Abstract: N-Acyl-2-aminothiazoles with nonaromatic acyl side chains containing a basic amine were found to be potent, selective inhibitors of CDK2/cycE which exhibit antitumor activity in mice. In particular, compound 21 [N-[5-[[[5-(1,1-dimethylethyl)-2-... aid7461.table aid7461.tbin
7462 1 Title: N-(cycloalkylamino)acyl-2-aminothiazole inhibitors of cyclin-dependent kinase 2. N-[5-[[[5-(1,1-dimethylethyl)-2-oxazolyl]methyl]thio]-2-thiazolyl]-4- piperidinecarboxamide (BMS-387032), a highly efficacious and selective antitumor agent. Abstract: N-Acyl-2-aminothiazoles with nonaromatic acyl side chains containing a basic amine were found to be potent, selective inhibitors of CDK2/cycE which exhibit antitumor activity in mice. In particular, compound 21 [N-[5-[[[5-(1,1-dimethylethyl)-2-... aid7462.table aid7462.tbin
7463 7 Title: Effect of C2/C3-endo unsaturation on the cytotoxicity and DNA-binding reactivity of pyrrolo[2,1-c][1,4]benzodiazepines. Abstract: A series of novel C2,C3-endo unsaturated pyrrolo[2,1-c][1,4]benzodiazepines (PBDs) has been synthesised via cleavage of the N10-Alloc protecting group from appropriate precursors. Biophysical and biological evaluations show that the presence of C2/C3-endo unsaturation in the PBD C-ring enhances both DNA-binding reactivity and in vitro cytotoxic potency. aid7463.table aid7463.tbin
7464 6 Title: Effect of C2-exo unsaturation on the cytotoxicity and DNA-binding reactivity of pyrrolo[2,1-c][1,4]benzodiazepines. Abstract: A series of novel C2-exo unsaturated pyrrolo[2,1-c][1,4]benzodiazepines (PBDs) has been synthesised via a versatile pro-C2 ketone precursor. C2-exo-unsaturation enhances both DNA-binding reactivity and in vitro cytotoxic potency. aid7464.table aid7464.tbin
7465 9 Compound was evaluated for cytotoxicity against A2780 cell lines. aid7465.table aid7465.tbin
7466 1 Title: Resistance-modifying agents. 9. Synthesis and biological properties of benzimidazole inhibitors of the DNA repair enzyme poly(ADP-ribose) polymerase. Abstract: The nuclear enzyme poly(ADP-ribose) polymerase (PARP) facilitates the repair of DNA strand breaks and is implicated in the resistance of cancer cells to certain DNA-damaging agents. Inhibitors of PARP have clinical potential as resistance-modifying agents capable of potentiating radiotherapy and the cytotoxicity of some forms of ca... aid7466.table aid7466.tbin
7467 1 Title: Resistance-modifying agents. 9. Synthesis and biological properties of benzimidazole inhibitors of the DNA repair enzyme poly(ADP-ribose) polymerase. Abstract: The nuclear enzyme poly(ADP-ribose) polymerase (PARP) facilitates the repair of DNA strand breaks and is implicated in the resistance of cancer cells to certain DNA-damaging agents. Inhibitors of PARP have clinical potential as resistance-modifying agents capable of potentiating radiotherapy and the cytotoxicity of some forms of ca... aid7467.table aid7467.tbin
7468 1 Title: Resistance-modifying agents. 9. Synthesis and biological properties of benzimidazole inhibitors of the DNA repair enzyme poly(ADP-ribose) polymerase. Abstract: The nuclear enzyme poly(ADP-ribose) polymerase (PARP) facilitates the repair of DNA strand breaks and is implicated in the resistance of cancer cells to certain DNA-damaging agents. Inhibitors of PARP have clinical potential as resistance-modifying agents capable of potentiating radiotherapy and the cytotoxicity of some forms of ca... aid7468.table aid7468.tbin
7469 1 Title: Resistance-modifying agents. 9. Synthesis and biological properties of benzimidazole inhibitors of the DNA repair enzyme poly(ADP-ribose) polymerase. Abstract: The nuclear enzyme poly(ADP-ribose) polymerase (PARP) facilitates the repair of DNA strand breaks and is implicated in the resistance of cancer cells to certain DNA-damaging agents. Inhibitors of PARP have clinical potential as resistance-modifying agents capable of potentiating radiotherapy and the cytotoxicity of some forms of ca... aid7469.table aid7469.tbin
7470 1 Title: Resistance-modifying agents. 9. Synthesis and biological properties of benzimidazole inhibitors of the DNA repair enzyme poly(ADP-ribose) polymerase. Abstract: The nuclear enzyme poly(ADP-ribose) polymerase (PARP) facilitates the repair of DNA strand breaks and is implicated in the resistance of cancer cells to certain DNA-damaging agents. Inhibitors of PARP have clinical potential as resistance-modifying agents capable of potentiating radiotherapy and the cytotoxicity of some forms of ca... aid7470.table aid7470.tbin
7471 1 Title: Resistance-modifying agents. 9. Synthesis and biological properties of benzimidazole inhibitors of the DNA repair enzyme poly(ADP-ribose) polymerase. Abstract: The nuclear enzyme poly(ADP-ribose) polymerase (PARP) facilitates the repair of DNA strand breaks and is implicated in the resistance of cancer cells to certain DNA-damaging agents. Inhibitors of PARP have clinical potential as resistance-modifying agents capable of potentiating radiotherapy and the cytotoxicity of some forms of ca... aid7471.table aid7471.tbin
7472 1 Title: Synthesis of novel C7-aryl substituted pyrrolo[2,1-c][1,4]benzodiazepines (PBDs) via pro-N10-Troc protection and Suzuki coupling. Abstract: Novel C7-aryl pyrrolo[2,1-c][1,4]benzodiazepines (PBDs) have been synthesized via Suzuki coupling between a 7-Iodo N10-Troc-protected PBD carbinolamine and commercially available boronic acids. aid7472.table aid7472.tbin
7473 1 Title: Synthesis of the first examples of A-C8/C-C2 amide-Linked pyrrolo[2,1-c][1,4]benzodiazepine dimers. Abstract: We report the synthesis of novel A-C8/C-C2 amide-linked pyrrolo[2,1-c][1,4]benzodiazepine dimers (4a and 4b) via convergent routes. These compounds lack the potent DNA interstrand cross-linking ability and resultant pronounced cytotoxicity of the known A-C8/A-C8' linked dimers (e.g., 2a-b). aid7473.table aid7473.tbin
7474 1 Title: Resistance-modifying agents. 9. Synthesis and biological properties of benzimidazole inhibitors of the DNA repair enzyme poly(ADP-ribose) polymerase. Abstract: The nuclear enzyme poly(ADP-ribose) polymerase (PARP) facilitates the repair of DNA strand breaks and is implicated in the resistance of cancer cells to certain DNA-damaging agents. Inhibitors of PARP have clinical potential as resistance-modifying agents capable of potentiating radiotherapy and the cytotoxicity of some forms of ca... aid7474.table aid7474.tbin
7475 1 Title: Resistance-modifying agents. 9. Synthesis and biological properties of benzimidazole inhibitors of the DNA repair enzyme poly(ADP-ribose) polymerase. Abstract: The nuclear enzyme poly(ADP-ribose) polymerase (PARP) facilitates the repair of DNA strand breaks and is implicated in the resistance of cancer cells to certain DNA-damaging agents. Inhibitors of PARP have clinical potential as resistance-modifying agents capable of potentiating radiotherapy and the cytotoxicity of some forms of ca... aid7475.table aid7475.tbin
7476 1 Title: Resistance-modifying agents. 9. Synthesis and biological properties of benzimidazole inhibitors of the DNA repair enzyme poly(ADP-ribose) polymerase. Abstract: The nuclear enzyme poly(ADP-ribose) polymerase (PARP) facilitates the repair of DNA strand breaks and is implicated in the resistance of cancer cells to certain DNA-damaging agents. Inhibitors of PARP have clinical potential as resistance-modifying agents capable of potentiating radiotherapy and the cytotoxicity of some forms of ca... aid7476.table aid7476.tbin
7477 1 Title: Resistance-modifying agents. 9. Synthesis and biological properties of benzimidazole inhibitors of the DNA repair enzyme poly(ADP-ribose) polymerase. Abstract: The nuclear enzyme poly(ADP-ribose) polymerase (PARP) facilitates the repair of DNA strand breaks and is implicated in the resistance of cancer cells to certain DNA-damaging agents. Inhibitors of PARP have clinical potential as resistance-modifying agents capable of potentiating radiotherapy and the cytotoxicity of some forms of ca... aid7477.table aid7477.tbin
7478 1 The compound was tested for cytotoxic potency against A2780 human tumor cell lines aid7478.table aid7478.tbin
7479 9 The compound was tested for cytotoxic potency against A2780 human tumor cell lines. aid7479.table aid7479.tbin
7480 8 Title: Novel soluble cationic trans-diaminedichloroplatinum(II) complexes that are active against cisplatin resistant ovarian cancer cell lines. Abstract: Positively charged, water soluble cis/trans-[PtCl(2)(piperazine)(Am1)] (where Am1 = NH(3), n-butylamine, isopropylamine, 4-picoline, piperidine, and piperazine) has significant cytotoxic activity against cisplatin resistant ovarian cancer cells. The charged complexes are taken up by cancer cells much more rapidly than cisplatin and bind to cel... aid7480.table aid7480.tbin
7481 1 Title: Discovery of aminothiazole inhibitors of cyclin-dependent kinase 2: synthesis, X-ray crystallographic analysis, and biological activities. Abstract: High throughput screening identified 2-acetamido-thiazolylthio acetic ester 1 as an inhibitor of cyclin-dependent kinase 2 (CDK2). Because this compound is inactive in cells and unstable in plasma, we have stabilized it to metabolic hydrolysis by replacing the ester moiety with a 5-ethyl-substituted oxazole as in compound 14. Combinatorial an... aid7481.table aid7481.tbin
7482 1 Title: Resistance-modifying agents. 9. Synthesis and biological properties of benzimidazole inhibitors of the DNA repair enzyme poly(ADP-ribose) polymerase. Abstract: The nuclear enzyme poly(ADP-ribose) polymerase (PARP) facilitates the repair of DNA strand breaks and is implicated in the resistance of cancer cells to certain DNA-damaging agents. Inhibitors of PARP have clinical potential as resistance-modifying agents capable of potentiating radiotherapy and the cytotoxicity of some forms of ca... aid7482.table aid7482.tbin
7483 1 Title: Resistance-modifying agents. 9. Synthesis and biological properties of benzimidazole inhibitors of the DNA repair enzyme poly(ADP-ribose) polymerase. Abstract: The nuclear enzyme poly(ADP-ribose) polymerase (PARP) facilitates the repair of DNA strand breaks and is implicated in the resistance of cancer cells to certain DNA-damaging agents. Inhibitors of PARP have clinical potential as resistance-modifying agents capable of potentiating radiotherapy and the cytotoxicity of some forms of ca... aid7483.table aid7483.tbin
7484 7 Compound was evaluated for cytotoxicity against A2780 cis cell lines. aid7484.table aid7484.tbin
7485 6 Relative resistance factor in A2780 cisplatin-resistant line aid7485.table aid7485.tbin
7486 1 Title: Inhibition of cancer cell growth by ruthenium(II) arene complexes. Abstract: Inhibition of the growth of the human ovarian cancer cell line A2780 by organometallic ruthenium(II) complexes of the type [(eta(6)-arene)Ru(X)(Y)(Z)], where arene is benzene or substituted benzene, X, Y, and Z are halide, acetonitrile, or isonicotinamide, or X,Y is ethylenediamine (en) or N-ethylethylenediamine, has been investigated. The X-ray crystal structures of the complexes [(eta(6)-p-cymene)Ru(en)Cl]PF(6)... aid7486.table aid7486.tbin
7487 11 Title: Inhibition of cancer cell growth by ruthenium(II) arene complexes. Abstract: Inhibition of the growth of the human ovarian cancer cell line A2780 by organometallic ruthenium(II) complexes of the type [(eta(6)-arene)Ru(X)(Y)(Z)], where arene is benzene or substituted benzene, X, Y, and Z are halide, acetonitrile, or isonicotinamide, or X,Y is ethylenediamine (en) or N-ethylethylenediamine, has been investigated. The X-ray crystal structures of the complexes [(eta(6)-p-cymene)Ru(en)Cl]PF(6)... aid7487.table aid7487.tbin
7488 1 Title: Discovery of aminothiazole inhibitors of cyclin-dependent kinase 2: synthesis, X-ray crystallographic analysis, and biological activities. Abstract: High throughput screening identified 2-acetamido-thiazolylthio acetic ester 1 as an inhibitor of cyclin-dependent kinase 2 (CDK2). Because this compound is inactive in cells and unstable in plasma, we have stabilized it to metabolic hydrolysis by replacing the ester moiety with a 5-ethyl-substituted oxazole as in compound 14. Combinatorial an... aid7488.table aid7488.tbin
7489 1 Title: Discovery of aminothiazole inhibitors of cyclin-dependent kinase 2: synthesis, X-ray crystallographic analysis, and biological activities. Abstract: High throughput screening identified 2-acetamido-thiazolylthio acetic ester 1 as an inhibitor of cyclin-dependent kinase 2 (CDK2). Because this compound is inactive in cells and unstable in plasma, we have stabilized it to metabolic hydrolysis by replacing the ester moiety with a 5-ethyl-substituted oxazole as in compound 14. Combinatorial an... aid7489.table aid7489.tbin
7490 3 Title: DNA minor groove interactions and the biological activity of 2,5-bis. Abstract: 2,5-Bis-[4-(N-cyclobutyl-amidino)phenyl] furan and 2,5-bis-[4-(N-cyclohexyl-amidino)phenyl] furan have activity against Pneumocystis carinii and also show cytotoxicity against several tumour cell lines. These activities are correlated with DNA-binding abilities; the crystal structures of complexes with the DNA sequence d(CGCGAATTCGCG) is reported here. Interactions with, and effects on, the DNA minor groove, a... aid7490.table aid7490.tbin
7491 1 Title: Phenyl selenones: alkyl transfer by selenium-carbon bond cleavage. aid7491.table aid7491.tbin
7492 1 Title: Gold(III) complexes as potential antitumor agents: solution chemistry and cytotoxic properties of some selected gold(III) compounds. Abstract: Gold(III) complexes generally exhibit interesting cytotoxic and antitumor properties, but until now, their development has been heavily hampered by their poor stability under physiological conditions. To enhance the stability of the gold(III) center, we prepared a number of gold(III) complexes with multidentate ligands - namely [Au(en)(2)]Cl(3), [A... aid7492.table aid7492.tbin
7493 2 Title: Gold(III) complexes as potential antitumor agents: solution chemistry and cytotoxic properties of some selected gold(III) compounds. Abstract: Gold(III) complexes generally exhibit interesting cytotoxic and antitumor properties, but until now, their development has been heavily hampered by their poor stability under physiological conditions. To enhance the stability of the gold(III) center, we prepared a number of gold(III) complexes with multidentate ligands - namely [Au(en)(2)]Cl(3), [A... aid7493.table aid7493.tbin
7494 3 Title: Gold(III) complexes as potential antitumor agents: solution chemistry and cytotoxic properties of some selected gold(III) compounds. Abstract: Gold(III) complexes generally exhibit interesting cytotoxic and antitumor properties, but until now, their development has been heavily hampered by their poor stability under physiological conditions. To enhance the stability of the gold(III) center, we prepared a number of gold(III) complexes with multidentate ligands - namely [Au(en)(2)]Cl(3), [A... aid7494.table aid7494.tbin
7495 2 Title: Gold(III) complexes as potential antitumor agents: solution chemistry and cytotoxic properties of some selected gold(III) compounds. Abstract: Gold(III) complexes generally exhibit interesting cytotoxic and antitumor properties, but until now, their development has been heavily hampered by their poor stability under physiological conditions. To enhance the stability of the gold(III) center, we prepared a number of gold(III) complexes with multidentate ligands - namely [Au(en)(2)]Cl(3), [A... aid7495.table aid7495.tbin
7496 1 Title: Gold(III) complexes as potential antitumor agents: solution chemistry and cytotoxic properties of some selected gold(III) compounds. Abstract: Gold(III) complexes generally exhibit interesting cytotoxic and antitumor properties, but until now, their development has been heavily hampered by their poor stability under physiological conditions. To enhance the stability of the gold(III) center, we prepared a number of gold(III) complexes with multidentate ligands - namely [Au(en)(2)]Cl(3), [A... aid7496.table aid7496.tbin
7497 1 Title: Gold(III) complexes as potential antitumor agents: solution chemistry and cytotoxic properties of some selected gold(III) compounds. Abstract: Gold(III) complexes generally exhibit interesting cytotoxic and antitumor properties, but until now, their development has been heavily hampered by their poor stability under physiological conditions. To enhance the stability of the gold(III) center, we prepared a number of gold(III) complexes with multidentate ligands - namely [Au(en)(2)]Cl(3), [A... aid7497.table aid7497.tbin
7498 3 Title: Synthesis, characterization, and cytotoxicity of trifunctional dinuclear platinum complexes: comparison of effects of geometry and polyfunctionality on biological activity. Abstract: The synthesis of two new isomeric trifunctional dinuclear platinum complexes of formula [ inverted question markPtCl(NH(3))(2) inverted question markmicro-NH(2)(CH(2))(6)NH(2)- inverted question markPtCl(2)(N H(3)) inverted question mark](+) (1, 2/c,c and 1,2/t,c) is reported. Their biological activity in sel... aid7498.table aid7498.tbin
7499 1 Title: A novel atypical retinoid endowed with proapoptotic and antitumor activity. Abstract: The novel atypical retinoid E-3-(4'-hydroxy-3'-adamantylbiphenyl-4-yl)acrylic acid (ST1926, 4) exhibited a potent antiproliferative activity on a large panel of human tumor cells. Despite almost complete loss of ability to activate RARs, the compound was an effective apoptosis inducer and surprisingly produced DNA damage, that likely contributes to the proapoptotic activity. Following oral administration... aid7499.table aid7499.tbin
7500 1 Title: A novel atypical retinoid endowed with proapoptotic and antitumor activity. Abstract: The novel atypical retinoid E-3-(4'-hydroxy-3'-adamantylbiphenyl-4-yl)acrylic acid (ST1926, 4) exhibited a potent antiproliferative activity on a large panel of human tumor cells. Despite almost complete loss of ability to activate RARs, the compound was an effective apoptosis inducer and surprisingly produced DNA damage, that likely contributes to the proapoptotic activity. Following oral administration... aid7500.table aid7500.tbin
7501 1 Title: 8,11-dihydroxy-6-[(aminoalkyl)amino]-7H-benzo[e]perimidin-7-ones with activity in multidrug-resistant cell lines: synthesis and antitumor evaluation. Abstract: The synthesis of dihydroxybenzoperimidine derivatives, which are chromophore-modified dihydroxyanthracenediones with an additional pyrimidine ring incorporated into the chromophore, is reported. These derivatives are structurally related to the antitumor agent mitoxantrone. Their synthesis was carried out by the reaction of 6-amino... aid7501.table aid7501.tbin
7502 3 Title: 8,11-dihydroxy-6-[(aminoalkyl)amino]-7H-benzo[e]perimidin-7-ones with activity in multidrug-resistant cell lines: synthesis and antitumor evaluation. Abstract: The synthesis of dihydroxybenzoperimidine derivatives, which are chromophore-modified dihydroxyanthracenediones with an additional pyrimidine ring incorporated into the chromophore, is reported. These derivatives are structurally related to the antitumor agent mitoxantrone. Their synthesis was carried out by the reaction of 6-amino... aid7502.table aid7502.tbin
7503 2 Title: Platinum(IV) complex with adamantylamine as nonleaving amine group: synthesis, characterization, and in vitro antitumor activity against a panel of cisplatin-resistant cancer cell lines. Abstract: Procedure of the synthesis is described for new platinum(IV) drug LA-12 [(OC-6-43)-bis(acetato)(1-adamantylamine)amminedichloroplatinum(IV)]. The X-ray diffraction analysis shows that the structure is created by molecules with octahedral arrangement of ligands around a platinum atom and contains... aid7503.table aid7503.tbin
7504 2 Title: Platinum(IV) complex with adamantylamine as nonleaving amine group: synthesis, characterization, and in vitro antitumor activity against a panel of cisplatin-resistant cancer cell lines. Abstract: Procedure of the synthesis is described for new platinum(IV) drug LA-12 [(OC-6-43)-bis(acetato)(1-adamantylamine)amminedichloroplatinum(IV)]. The X-ray diffraction analysis shows that the structure is created by molecules with octahedral arrangement of ligands around a platinum atom and contains... aid7504.table aid7504.tbin
7505 9 Title: Synthesis and biological evaluation of 2'-methyl taxoids derived from baccatin III and 14beta-OH-baccatin III 1,14-carbonate. Abstract: A series of 2'-methyl taxoids were synthesized and essayed for growth inhibition experiments conducted in human ovarian cancer cell line A2780wt and its counterparts A2780cis, A2780tax, and A2780adr, resistant to cisplatin, paclitaxel, and doxorubicin, respectively, to test the effect of this substituent on the antitumor activity. Additional experiments w... aid7505.table aid7505.tbin
7506 9 Title: Synthesis and biological evaluation of 2'-methyl taxoids derived from baccatin III and 14beta-OH-baccatin III 1,14-carbonate. Abstract: A series of 2'-methyl taxoids were synthesized and essayed for growth inhibition experiments conducted in human ovarian cancer cell line A2780wt and its counterparts A2780cis, A2780tax, and A2780adr, resistant to cisplatin, paclitaxel, and doxorubicin, respectively, to test the effect of this substituent on the antitumor activity. Additional experiments w... aid7506.table aid7506.tbin
7507 6 Title: Chemical synthesis and cytotoxicity of dihydroxylated cyclopentenone analogues of neocarzinostatin chromophore. Abstract: Compounds containing the naphthoate moiety of Neocarzinostatin chromophore or 2-hydroxynaphthoate have been synthesized and evaluated for cytotoxic activity against a leukemia cell line and a small panel of human-tumor cell lines. Those compounds containing a cyclopentenone moiety were active, with the carbonyl group being essential for biological activity. aid7507.table aid7507.tbin
7508 10 The compound was tested for cytotoxic potency against A2780R human tumor cell lines. aid7508.table aid7508.tbin
7509 1 Title: Gold(III) complexes with bipyridyl ligands: solution chemistry, cytotoxicity, and DNA binding properties. Abstract: Gold(III) compounds generally exhibit significant cytotoxic effects on cancer cell lines and are of potential interest as antitumor drugs. We report here on the solution chemistry, the cytotoxicity, and the DNA binding properties of two new bipyridyl gold(III) compounds: [Au(bipy)(OH)(2)][PF(6)] (1) and the organometallic compound [Au(bipy(c)-H)(OH)][PF(6)] (2) (bipy(c) = 6-... aid7509.table aid7509.tbin
7510 1 Title: Gold(III) complexes with bipyridyl ligands: solution chemistry, cytotoxicity, and DNA binding properties. Abstract: Gold(III) compounds generally exhibit significant cytotoxic effects on cancer cell lines and are of potential interest as antitumor drugs. We report here on the solution chemistry, the cytotoxicity, and the DNA binding properties of two new bipyridyl gold(III) compounds: [Au(bipy)(OH)(2)][PF(6)] (1) and the organometallic compound [Au(bipy(c)-H)(OH)][PF(6)] (2) (bipy(c) = 6-... aid7510.table aid7510.tbin
7511 1 Title: Discovery and evaluation of potent P1 aryl heterocycle-based thrombin inhibitors. Abstract: In an effort to discover potent, clinically useful thrombin inhibitors, a rapid analogue synthetic approach was used to explore the P(1) region. Various benzylamines were coupled to a pyridine/pyrazinone P(2)-P(3) template. One compound with an o-thiadiazole benzylic substitution was found to have a thrombin K(i) of 0.84 nM. A study of ortho-substituted five-membered-ring heterocycles was undertake... aid7511.table aid7511.tbin
7512 4 Title: Novel CCR1 antagonists with improved metabolic stability. Abstract: The synthesis, biological activity, and pharmacokinetic profile of novel CCR1 antagonists are described. aid7512.table aid7512.tbin
7513 1 Title: Piperazine-based CCR5 antagonists as HIV-1 inhibitors. III: synthesis, antiviral and pharmacokinetic profiles of symmetrical heteroaryl carboxamides. Abstract: The unsymmetrical nicotinamide-N-oxide moiety in compound 1 was replaced with symmetrical isonicotinamides as well as 4,6-dimethyl pyrimidine-5-carboxamides. Compound 16 from the latter set reduced the number of rotamers, improved potency of inhibiting UIV entry, slightly diminished the affinity for the muscarine receptors and show... aid7513.table aid7513.tbin
7514 2 Title: Optimization of the indolyl quinolinone class of KDR (VEGFR-2) kinase inhibitors: effects of 5-amido- and 5-sulphonamido-indolyl groups on pharmacokinetics and hERG binding. Abstract: Modifications to the basic side-chain of early lead structures of the indolyl quinolinone class of KDR kinase inhibitors resulted in improved pharmacokinetic and ancillary profiles. Specifically, compounds bearing 5-amido- and 5-sulphonamido-indolyl substituents exhibited lower plasma clearance and weaker bi... aid7514.table aid7514.tbin
7515 3 Title: Orally bioavailable, indole-based nonpeptide GnRH receptor antagonists with high potency and functional activity. Abstract: Stereospecific introduction of a methyl group to the indole-3-side chain enhanced activity in our tryptamine-derived series of GnRH receptor antagonists. Further improvements were achieved by variation of the bicyclic amino moiety of the tertiary amide and by adjustment of the tether length to a pyridine or pyridone terminus. These modifications culminated in analogu... aid7515.table aid7515.tbin
7516 1 Title: p38 Inhibitors: piperidine- and 4-aminopiperidine-substituted naphthyridinones, quinolinones, and dihydroquinazolinones. Abstract: We have synthesized a series of C7-piperidine- and 4-aminopiperidine-substituted naphthyridinones, quinolinones, and dihydroquinazolinones that are highly potent inhibitors of both p38MAP kinase activity and TNF-alpha release. The 4-aminopentamethylpiperidine naphthyridinone 5, which was designed to block metabolism at major 'hot spots', combined excellent inh... aid7516.table aid7516.tbin
7517 1 Title: Sulphonamide-based small molecule VLA-4 antagonists. Abstract: The discovery of a sulphonamide by-product with VLA-4 antagonistic activity led to a series of potent, small molecule VLA-4 antagonists. Synthesis, SAR and in vivo evaluation of the selected compound will be presented. aid7517.table aid7517.tbin
7518 12 Title: Pyridone-containing farnesyltransferase inhibitors: synthesis and biological evaluation. Abstract: Farnesyltransferase inhibitors (FTIs) have been developed as potential anti-cancer agents due to their efficacy in blocking malignant growth in a variety of murine models of human tumors. To that end, we have developed a series of pyridone farnesyltransferase inhibitors with potent in vitro and cellular activity. The synthesis, SAR and biological properties of these compounds will be discuss... aid7518.table aid7518.tbin
7519 4 Title: Discovery of potent imidazole and cyanophenyl containing farnesyltransferase inhibitors with improved oral bioavailability. Abstract: A pyridyl moiety was introduced into a previously developed series of farnesyltransferase inhibitors containing imidazole and cyanophenyl (such as 4), resulting in potent inhibitors with improved pharmacokinetics. aid7519.table aid7519.tbin
7520 3 Title: Discovery of potent imidazole and cyanophenyl containing farnesyltransferase inhibitors with improved oral bioavailability. Abstract: A pyridyl moiety was introduced into a previously developed series of farnesyltransferase inhibitors containing imidazole and cyanophenyl (such as 4), resulting in potent inhibitors with improved pharmacokinetics. aid7520.table aid7520.tbin
7521 2 Title: Discovery of potent imidazole and cyanophenyl containing farnesyltransferase inhibitors with improved oral bioavailability. Abstract: A pyridyl moiety was introduced into a previously developed series of farnesyltransferase inhibitors containing imidazole and cyanophenyl (such as 4), resulting in potent inhibitors with improved pharmacokinetics. aid7521.table aid7521.tbin
7522 12 Title: Pyridone-containing farnesyltransferase inhibitors: synthesis and biological evaluation. Abstract: Farnesyltransferase inhibitors (FTIs) have been developed as potential anti-cancer agents due to their efficacy in blocking malignant growth in a variety of murine models of human tumors. To that end, we have developed a series of pyridone farnesyltransferase inhibitors with potent in vitro and cellular activity. The synthesis, SAR and biological properties of these compounds will be discuss... aid7522.table aid7522.tbin
7523 2 Title: Pyridone-containing farnesyltransferase inhibitors: synthesis and biological evaluation. Abstract: Farnesyltransferase inhibitors (FTIs) have been developed as potential anti-cancer agents due to their efficacy in blocking malignant growth in a variety of murine models of human tumors. To that end, we have developed a series of pyridone farnesyltransferase inhibitors with potent in vitro and cellular activity. The synthesis, SAR and biological properties of these compounds will be discuss... aid7523.table aid7523.tbin
7524 1 Title: The discovery of sulfonylated dipeptides as potent VLA-4 antagonists. Abstract: Directed screening of a carboxylic acid-containing combinatorial library led to the discovery of potent inhibitors of the integrin VLA-4. Subsequent optimization by solid-phase synthesis afforded a series of sulfonylated dipeptide inhibitors with structural components that when combined in a single hybrid molecule gave a sub-nanomolar inhibitor as a lead for medicinal chemistry. Preliminary metabolic studies l... aid7524.table aid7524.tbin
7525 1 Title: N-isonicotinoyl-(L)-4-aminophenylalanine derivatives as tight binding VLA-4 antagonists. Abstract: A series of isonicotinoyl-(L)-aminophenylalanine derivatives was prepared and evaluated as VLA-4 antagonists. These compounds exhibit subnanomolar binding affinity to VLA-4 and significant off-rates. The interplay between off-rate, protein binding and pharmacokinetics is discussed. aid7525.table aid7525.tbin
7526 1 Title: Substituted 2-pyridinemethanol derivatives as potent and selective phosphodiesterase-4 inhibitors. Abstract: The synthesis and the phosphodiesterase-4 (PDE4) inhibitory activity of 2-pyridinemethanol derivatives is described. The evaluation of the structure-activity relationship (SAR) in this series of novel PDE4 inhibitors led to the identification of compound 9 which exhibits excellent in vitro activity, desirable pharmacokinetic parameters and good efficacy in animal models of bronchoc... aid7526.table aid7526.tbin
7527 1 Title: Antagonists of human CCR5 receptor containing 4-(pyrazolyl)piperidine side chains. Part 2: Discovery of potent, selective, and orally bioavailable compounds. Abstract: Modifications of the alkyl acetic acid portion and the phenyl on pyrrolidine in our lead pyrazole compound 1 afforded the isopropyl compound 9. This compound is a potent CCR5 antagonist showing good in vitro antiviral activity against HIV-1, an excellent selectivity profile, and good oral bioavailability in three animal spe... aid7527.table aid7527.tbin
7528 2 Title: 1,3,4-Trisubstituted pyrrolidine CCR5 receptor antagonists: modifications of the arylpropylpiperidine side chains. Abstract: The 4-(3-phenylprop-1-yl)piperidine moiety of the 1,3,4-trisubstituted pyrrolidine CCR5 antagonist 1 was modified with electron deficient aromatics as well as replacement of the benzylic methylene with sulfones, gem-difluoromethylenes and alcohols in an effort to balance the antiviral potency with reasonable pharmacokinetics. aid7528.table aid7528.tbin
7529 1 Title: HIV protease inhibitors with picomolar potency against PI-Resistant HIV-1 by extension of the P3 substituent. Abstract: A biaryl pyridylfuran P(3) substituent on the hydroxyethylene isostere scaffold affords HIV protease inhibitors (PI's) with picomolar (IC(50)) potency against the protease enzymes from PI-resistant HIV-1 strains. Inclusion of a gem-dimethyl substituent afforded compound 3 with 100% oral bioavailability (dogs) and more than double the t(1/2) of indinavir. Inhibition of mu... aid7529.table aid7529.tbin
7530 1 Title: Acetylenic TACE inhibitors. Part 1. SAR of the acyclic sulfonamide hydroxamates. Abstract: The SAR of a series of potent sulfonamide hydroxamate TACE inhibitors, all bearing a butynyloxy P1' group, was explored. In particular, compound 5j has excellent in vitro potency against isolated TACE enzyme and in cells, good selectivity over MMP-1 and MMP-9, and oral activity in an in vivo model of TNF-alpha production and a collagen-induced arthritis model. aid7530.table aid7530.tbin
7531 2 Title: 1,3,4-Trisubstituted pyrrolidine CCR5 receptor antagonists. Part 4: synthesis of N-1 acidic functionality affording analogues with enhanced antiviral activity against HIV. Abstract: A series of alpha-(pyrrolidin-1-yl)acetic acids is presented as selective and potent antivirals against HIV. Several of the pyrrolidine zwitterions demonstrated reasonable in vitro properties, enhanced antiviral activities and improved pharmacokinetic profiles over pyrrolidine 1. aid7531.table aid7531.tbin
7532 3 Title: Dicationic 2-fluorenonylcarbapenems: potent anti-MRS agents with improved solubility and pharmacokinetic properties. Abstract: The synthesis and biological evaluation of a series of dicationic-substituted 2-fluorenonylcarbapenems is described. This class of compounds showed enhanced water solubility while maintaining potent activity against MRS. Introduction of a 1-beta-methyl substituent was found to improve pharmacokinetics. aid7532.table aid7532.tbin
7533 1 Title: Dicationic 2-fluorenonylcarbapenems: potent anti-MRS agents with improved solubility and pharmacokinetic properties. Abstract: The synthesis and biological evaluation of a series of dicationic-substituted 2-fluorenonylcarbapenems is described. This class of compounds showed enhanced water solubility while maintaining potent activity against MRS. Introduction of a 1-beta-methyl substituent was found to improve pharmacokinetics. aid7533.table aid7533.tbin
7534 1 Title: SAR in the alkoxy lactone series: the discovery of DFP, a potent and orally active COX-2 inhibitor. Abstract: Extensive SAR has been established in the alkoxy lactone series and this has lead to the discovery of DFP (5,5-dimethyl-3-(2-propoxy)-4-methanesulfonylphenyl)-2(5H)-furanon e), a potent COX-2 inhibitor exhibiting in vivo efficacy in all models studied. aid7534.table aid7534.tbin
7535 1 Title: SAR in the alkoxy lactone series: the discovery of DFP, a potent and orally active COX-2 inhibitor. Abstract: Extensive SAR has been established in the alkoxy lactone series and this has lead to the discovery of DFP (5,5-dimethyl-3-(2-propoxy)-4-methanesulfonylphenyl)-2(5H)-furanon e), a potent COX-2 inhibitor exhibiting in vivo efficacy in all models studied. aid7535.table aid7535.tbin
7536 3 Title: Anti-HIV-1 activities and pharmacokinetics of new arylpiperazinyl fluoroquinolones. Abstract: Anti-HIV-1 activities and pharmacokinetics of a series of novel arylpiperazinyl fluoroquinolones are reported. Modification at the C-8 position with a trifluoromethyl group was superior to that with a difluoromethoxy group to achieve higher anti-HIV-1 activity. Two compounds studied exhibited quite high anti-HIV-1 activities (IC(50)&lt;50 nM) in vitro and high bioavailabilities (BA&gt;90%) in mon... aid7536.table aid7536.tbin
7537 1 Title: Anti-HIV-1 activities and pharmacokinetics of new arylpiperazinyl fluoroquinolones. Abstract: Anti-HIV-1 activities and pharmacokinetics of a series of novel arylpiperazinyl fluoroquinolones are reported. Modification at the C-8 position with a trifluoromethyl group was superior to that with a difluoromethoxy group to achieve higher anti-HIV-1 activity. Two compounds studied exhibited quite high anti-HIV-1 activities (IC(50)&lt;50 nM) in vitro and high bioavailabilities (BA&gt;90%) in mon... aid7537.table aid7537.tbin
7538 2 Title: Anti-HIV-1 activities and pharmacokinetics of new arylpiperazinyl fluoroquinolones. Abstract: Anti-HIV-1 activities and pharmacokinetics of a series of novel arylpiperazinyl fluoroquinolones are reported. Modification at the C-8 position with a trifluoromethyl group was superior to that with a difluoromethoxy group to achieve higher anti-HIV-1 activity. Two compounds studied exhibited quite high anti-HIV-1 activities (IC(50)&lt;50 nM) in vitro and high bioavailabilities (BA&gt;90%) in mon... aid7538.table aid7538.tbin
7539 1 Title: Molecular design and structure--activity relationships leading to the potent, selective, and orally active thrombin active site inhibitor BMS-189664. Abstract: A series of structurally novel small molecule inhibitors of human alpha-thrombin was prepared to elucidate their structure-activity relationships (SARs), selectivity and activity in vivo. BMS-189664 (3) is identified as a potent, selective, and orally active reversible inhibitor of human alpha-thrombin which is efficacious in vivo ... aid7539.table aid7539.tbin
7540 1 Title: Molecular design and structure--activity relationships leading to the potent, selective, and orally active thrombin active site inhibitor BMS-189664. Abstract: A series of structurally novel small molecule inhibitors of human alpha-thrombin was prepared to elucidate their structure-activity relationships (SARs), selectivity and activity in vivo. BMS-189664 (3) is identified as a potent, selective, and orally active reversible inhibitor of human alpha-thrombin which is efficacious in vivo ... aid7540.table aid7540.tbin
7541 1 Title: Synthesis and biological activities of (R)-5,6-dihydro-N,N-dimethyl-4H-imidazo[4,5,1-ij]quinolin-5-amine and its metabolites. Abstract: The imidazoquinoline (R)-5,6-Dihydro-N,N-dimethyl-4H-imidazo[4,5,1-ij]quinolin-5-amine [(R)-3] is a potent dopamine agonist when tested in animals but surprisingly shows very low affinity in in vitro binding assays. When incubated with mouse or monkey liver S9 microsomes, (R)-3 is metabolized by N-demethylation and oxidation to (R)-5,6-dihydro-5-(methylam... aid7541.table aid7541.tbin
7542 1 Title: Synthesis and biological activities of (R)-5,6-dihydro-N,N-dimethyl-4H-imidazo[4,5,1-ij]quinolin-5-amine and its metabolites. Abstract: The imidazoquinoline (R)-5,6-Dihydro-N,N-dimethyl-4H-imidazo[4,5,1-ij]quinolin-5-amine [(R)-3] is a potent dopamine agonist when tested in animals but surprisingly shows very low affinity in in vitro binding assays. When incubated with mouse or monkey liver S9 microsomes, (R)-3 is metabolized by N-demethylation and oxidation to (R)-5,6-dihydro-5-(methylam... aid7542.table aid7542.tbin
7543 1 Title: Synthesis and biological activities of (R)-5,6-dihydro-N,N-dimethyl-4H-imidazo[4,5,1-ij]quinolin-5-amine and its metabolites. Abstract: The imidazoquinoline (R)-5,6-Dihydro-N,N-dimethyl-4H-imidazo[4,5,1-ij]quinolin-5-amine [(R)-3] is a potent dopamine agonist when tested in animals but surprisingly shows very low affinity in in vitro binding assays. When incubated with mouse or monkey liver S9 microsomes, (R)-3 is metabolized by N-demethylation and oxidation to (R)-5,6-dihydro-5-(methylam... aid7543.table aid7543.tbin
7544 1 Title: Synthesis and biological activities of (R)-5,6-dihydro-N,N-dimethyl-4H-imidazo[4,5,1-ij]quinolin-5-amine and its metabolites. Abstract: The imidazoquinoline (R)-5,6-Dihydro-N,N-dimethyl-4H-imidazo[4,5,1-ij]quinolin-5-amine [(R)-3] is a potent dopamine agonist when tested in animals but surprisingly shows very low affinity in in vitro binding assays. When incubated with mouse or monkey liver S9 microsomes, (R)-3 is metabolized by N-demethylation and oxidation to (R)-5,6-dihydro-5-(methylam... aid7544.table aid7544.tbin
7545 3 Title: Dicationic 2-fluorenonylcarbapenems: potent anti-MRS agents with improved solubility and pharmacokinetic properties. Abstract: The synthesis and biological evaluation of a series of dicationic-substituted 2-fluorenonylcarbapenems is described. This class of compounds showed enhanced water solubility while maintaining potent activity against MRS. Introduction of a 1-beta-methyl substituent was found to improve pharmacokinetics. aid7545.table aid7545.tbin
7546 1 Title: Dicationic 2-fluorenonylcarbapenems: potent anti-MRS agents with improved solubility and pharmacokinetic properties. Abstract: The synthesis and biological evaluation of a series of dicationic-substituted 2-fluorenonylcarbapenems is described. This class of compounds showed enhanced water solubility while maintaining potent activity against MRS. Introduction of a 1-beta-methyl substituent was found to improve pharmacokinetics. aid7546.table aid7546.tbin
7547 4 Title: Synthesis of carbon-11 labeled iodinated cocaine derivatives and their distribution in baboon brain measured using positron emission tomography. Abstract: Three iodine-substituted derivatives of cocaine, methyl esters of 3-[(2'-, 3'-, and 4'-iodobenzoyl)oxy]-8-methyl-[1R-(exo,exo)]-8- azabicyclo[3.2.1]octane-2 carboxylic acid (2a-c), were synthesized and subjected to N-demethylation to give the corresponding noriodococaines 3-[(2'-,3'-, and 4'-iodobenzoyl)oxy]-[1R-(exo,exo)]-8- azabicyclo... aid7547.table aid7547.tbin
7548 3 Title: Dicationic 2-fluorenonylcarbapenems: potent anti-MRS agents with improved solubility and pharmacokinetic properties. Abstract: The synthesis and biological evaluation of a series of dicationic-substituted 2-fluorenonylcarbapenems is described. This class of compounds showed enhanced water solubility while maintaining potent activity against MRS. Introduction of a 1-beta-methyl substituent was found to improve pharmacokinetics. aid7548.table aid7548.tbin
7549 1 Title: Dicationic 2-fluorenonylcarbapenems: potent anti-MRS agents with improved solubility and pharmacokinetic properties. Abstract: The synthesis and biological evaluation of a series of dicationic-substituted 2-fluorenonylcarbapenems is described. This class of compounds showed enhanced water solubility while maintaining potent activity against MRS. Introduction of a 1-beta-methyl substituent was found to improve pharmacokinetics. aid7549.table aid7549.tbin
7550 4 Title: Novel CCR1 antagonists with improved metabolic stability. Abstract: The synthesis, biological activity, and pharmacokinetic profile of novel CCR1 antagonists are described. aid7550.table aid7550.tbin
7551 1 Title: Nonpeptide alphavbeta3 antagonists. 8. In vitro and in vivo evaluation of a potent alphavbeta3 antagonist for the prevention and treatment of osteoporosis. Abstract: 3(S)-(6-methoxypyridin-3-yl)-3-[2-oxo-3-[3-(5,6,7,8-tetrahydro-[1,8]-naphthyridin-2-yl)propyl]imidazolidin-1-yl]propionic acid 6 was identified as a potent and selective antagonist of the alpha(v)beta(3) receptor. This compound has an excellent in vitro profile (IC(50) = 0.08 nM), a significant unbound fraction in human plasm... aid7551.table aid7551.tbin
7552 5 Title: Design, synthesis and antifungal activity of a novel water soluble prodrug of antifungal triazole. Abstract: A highly potent water soluble triazole antifungal prodrug, RO0098557 (1), has been identified from its parent, the novel antifungal agent RO0094815 (2). The prodrug includes a triazolium salt linked to an aminocarboxyl moiety, which undergoes enzymatic activation followed by spontaneous chemical degradation to release 2. Prodrug 1 showed high chemical stability and water solubility... aid7552.table aid7552.tbin
7553 1 Title: Design, synthesis and antifungal activity of a novel water soluble prodrug of antifungal triazole. Abstract: A highly potent water soluble triazole antifungal prodrug, RO0098557 (1), has been identified from its parent, the novel antifungal agent RO0094815 (2). The prodrug includes a triazolium salt linked to an aminocarboxyl moiety, which undergoes enzymatic activation followed by spontaneous chemical degradation to release 2. Prodrug 1 showed high chemical stability and water solubility... aid7553.table aid7553.tbin
7554 1 Half life period was evaluated against Cynomolgus monkey at a dose of 15 mg/kg after po administration aid7554.table aid7554.tbin
7555 2 Title: Piperazine-based CCR5 antagonists as HIV-1 inhibitors. IV. Discovery of 1-[(4,6-dimethyl-5-pyrimidinyl)carbonyl]- 4-[4-[2-methoxy-1(R)-4-(trifluoromethyl)phenyl]ethyl-3(S)-methyl-1-piperazinyl]- 4-methylpiperidine (Sch-417690/Sch-D), a potent, highly selective, and orally bioavailable CCR5 antagonist. Abstract: The nature and the size of the benzylic substituent are shown to be the key to controlling receptor selectivity (CCR5 vs M1, M2) and potency in the title compounds. Optimization of... aid7555.table aid7555.tbin
7556 8 Terminal half life of the compound. aid7556.table aid7556.tbin
7557 1 Maximum time was evaluated against Cynomolgus monkey at a dose of 15 mg/kg after po administration aid7557.table aid7557.tbin
7558 1 Title: Molecular design and structure--activity relationships leading to the potent, selective, and orally active thrombin active site inhibitor BMS-189664. Abstract: A series of structurally novel small molecule inhibitors of human alpha-thrombin was prepared to elucidate their structure-activity relationships (SARs), selectivity and activity in vivo. BMS-189664 (3) is identified as a potent, selective, and orally active reversible inhibitor of human alpha-thrombin which is efficacious in vivo ... aid7558.table aid7558.tbin
7559 1 Title: N-isonicotinoyl-(L)-4-aminophenylalanine derivatives as tight binding VLA-4 antagonists. Abstract: A series of isonicotinoyl-(L)-aminophenylalanine derivatives was prepared and evaluated as VLA-4 antagonists. These compounds exhibit subnanomolar binding affinity to VLA-4 and significant off-rates. The interplay between off-rate, protein binding and pharmacokinetics is discussed. aid7559.table aid7559.tbin
7560 5 Title: Dicationic 2-fluorenonylcarbapenems: potent anti-MRS agents with improved solubility and pharmacokinetic properties. Abstract: The synthesis and biological evaluation of a series of dicationic-substituted 2-fluorenonylcarbapenems is described. This class of compounds showed enhanced water solubility while maintaining potent activity against MRS. Introduction of a 1-beta-methyl substituent was found to improve pharmacokinetics. aid7560.table aid7560.tbin
7561 1 Title: Dicationic 2-fluorenonylcarbapenems: potent anti-MRS agents with improved solubility and pharmacokinetic properties. Abstract: The synthesis and biological evaluation of a series of dicationic-substituted 2-fluorenonylcarbapenems is described. This class of compounds showed enhanced water solubility while maintaining potent activity against MRS. Introduction of a 1-beta-methyl substituent was found to improve pharmacokinetics. aid7561.table aid7561.tbin
7562 1 Title: Discovery and characterization of the potent, selective and orally bioavailable MMP inhibitor ABT-770. Abstract: Modification of the biphenyl portion of MMP inhibitor 2a gave analogue 2i which is greater than 1000-fold selective against MMP-2 versus MMP-1. The stereospecific synthesis of both enantiomers of 2i was achieved beginning with (S)- or (R)-benzyl glycidyl ether. The (S)-enantiomer, 11 (ABT-770), is orally bioavailable and efficacious in an in vivo model of tumor growth. aid7562.table aid7562.tbin
7563 1 Title: Synthesis and SAR of aminoalkoxy-biaryl-4-carboxamides: novel and selective histamine H3 receptor antagonists. Abstract: Novel 4'-[(NR1R2-1-yl)]-propoxy-biaryl-4-carboxamides were designed and synthesized. All compounds were tested for affinity at histamine H(3)receptors. Most compounds were highly potent and selective for human and rat H(3) receptors and selected examples such as A-349821 showed functional antagonism of H(3) receptors in vitro and in a mouse dipsogenia model. aid7563.table aid7563.tbin
7564 2 Title: 1,3,4-Trisubstituted pyrrolidine CCR5 receptor antagonists: modifications of the arylpropylpiperidine side chains. Abstract: The 4-(3-phenylprop-1-yl)piperidine moiety of the 1,3,4-trisubstituted pyrrolidine CCR5 antagonist 1 was modified with electron deficient aromatics as well as replacement of the benzylic methylene with sulfones, gem-difluoromethylenes and alcohols in an effort to balance the antiviral potency with reasonable pharmacokinetics. aid7564.table aid7564.tbin
7565 1 Title: The discovery of a potent, intracellular, orally bioavailable, long duration inhibitor of human neutrophil elastase--GW311616A a development candidate. Abstract: The discovery of a potent intracellular inhibitor of human neutrophil elastase which is orally active and has a long duration of action is described. The pharmacodynamic and pharmacokinetic properties of a trans-lactam development candidate, GW311616A, are described. aid7565.table aid7565.tbin
7566 2 Title: The discovery of a potent, intracellular, orally bioavailable, long duration inhibitor of human neutrophil elastase--GW311616A a development candidate. Abstract: The discovery of a potent intracellular inhibitor of human neutrophil elastase which is orally active and has a long duration of action is described. The pharmacodynamic and pharmacokinetic properties of a trans-lactam development candidate, GW311616A, are described. aid7566.table aid7566.tbin
7567 1 Title: The discovery of a potent, intracellular, orally bioavailable, long duration inhibitor of human neutrophil elastase--GW311616A a development candidate. Abstract: The discovery of a potent intracellular inhibitor of human neutrophil elastase which is orally active and has a long duration of action is described. The pharmacodynamic and pharmacokinetic properties of a trans-lactam development candidate, GW311616A, are described. aid7567.table aid7567.tbin
7568 1 Title: The discovery of a potent, intracellular, orally bioavailable, long duration inhibitor of human neutrophil elastase--GW311616A a development candidate. Abstract: The discovery of a potent intracellular inhibitor of human neutrophil elastase which is orally active and has a long duration of action is described. The pharmacodynamic and pharmacokinetic properties of a trans-lactam development candidate, GW311616A, are described. aid7568.table aid7568.tbin
7569 1 Title: The discovery of a potent, intracellular, orally bioavailable, long duration inhibitor of human neutrophil elastase--GW311616A a development candidate. Abstract: The discovery of a potent intracellular inhibitor of human neutrophil elastase which is orally active and has a long duration of action is described. The pharmacodynamic and pharmacokinetic properties of a trans-lactam development candidate, GW311616A, are described. aid7569.table aid7569.tbin
7570 2 Title: The discovery of a potent, intracellular, orally bioavailable, long duration inhibitor of human neutrophil elastase--GW311616A a development candidate. Abstract: The discovery of a potent intracellular inhibitor of human neutrophil elastase which is orally active and has a long duration of action is described. The pharmacodynamic and pharmacokinetic properties of a trans-lactam development candidate, GW311616A, are described. aid7570.table aid7570.tbin
7571 1 Michaelis-Menten constant of the compound. aid7571.table aid7571.tbin
7572 1 Vmax value was measured at 0 uM concentration of silyl ether. aid7572.table aid7572.tbin
7573 1 Vmax value was measured at 10 uM concentration of silyl ether. aid7573.table aid7573.tbin
7574 1 Vmax value was measured at 5 uM concentration of silyl ether. aid7574.table aid7574.tbin
7575 1 Title: Effect of the 7-amino substituent on the inhibitory potency of mechanism-based isocoumarin inhibitors for porcine pancreatic and human neutrophil elastases: a 1.85-A X-ray structure of the complex between porcine pancreatic elastase and 7-[(N-tosylphenylalanyl)amino]-4-chloro-3- methoxyisocoumarin. Abstract: A series of new acyl, urea, and carbonate derivatives of 7-amino-4-chloro-3-methoxyisocoumarin were synthesized and evaluated as irreversible inhibitors of human neutrophil elastase (... aid7575.table aid7575.tbin
7576 1 Area under curve was evaluated against man at a dose of 10 mg/kg after po administration aid7576.table aid7576.tbin
7577 1 Title: Discovery, modeling, and human pharmacokinetics of N-(2-acetyl-4,6-dimethylphenyl)-3-(3,4-dimethylisoxazol-5-ylsulfamoyl)thiophene-2-carboxamide (TBC3711), a second generation, ETA selective, and orally bioavailable endothelin antagonist. Abstract: Sitaxsentan (1) (Wu et al. J. Med. Chem. 1997, 40, 1690) is our first endothelin antagonist being evaluated in clinical trials. It has demonstrated biological effects in an acute hemodynamic study in CHF (Givertz et al. Circulation 2000, 101, 2... aid7577.table aid7577.tbin
7578 3 Title: Stereospecific synthesis of chiral metabolites of ifosfamide and their determination in the urine. Abstract: The stereospecific synthesis of two chiral metabolites of ifosfamide (2), 4-ketoifosfamide (5) and 2-amino-3-(2-chloroethyl)tetrahydro-2H-1,3, 2-oxazaphosphorine 2-oxide (9), is reported. The absolute configuration of both compounds was assigned on the basis of chemical correlation. In addition, two other achiral metabolites of 2, carboxyifosfamide (6) and IPAM (7), were synthesize... aid7578.table aid7578.tbin
7579 2 Title: Affinity and intrinsic efficacy (IE) of 5'-carbamoyl adenosine analogues for the A1 adenosine receptor--efforts towards the discovery of a chronic ventricular rate control agent for the treatment of atrial fibrillation (AF). Abstract: The SAR for the affinity to the A(1) adenosine receptor and relative intrinsic efficacy (IE, [(35)S]-GTPgammaS binding) of a series of 5'-carbamate and 5'-thionocarbamate derivatives of tecadenoson is described. Based on this SAR, selected compounds were eva... aid7579.table aid7579.tbin
7580 1 Title: Affinity and intrinsic efficacy (IE) of 5'-carbamoyl adenosine analogues for the A1 adenosine receptor--efforts towards the discovery of a chronic ventricular rate control agent for the treatment of atrial fibrillation (AF). Abstract: The SAR for the affinity to the A(1) adenosine receptor and relative intrinsic efficacy (IE, [(35)S]-GTPgammaS binding) of a series of 5'-carbamate and 5'-thionocarbamate derivatives of tecadenoson is described. Based on this SAR, selected compounds were eva... aid7580.table aid7580.tbin
7581 1 Title: Affinity and intrinsic efficacy (IE) of 5'-carbamoyl adenosine analogues for the A1 adenosine receptor--efforts towards the discovery of a chronic ventricular rate control agent for the treatment of atrial fibrillation (AF). Abstract: The SAR for the affinity to the A(1) adenosine receptor and relative intrinsic efficacy (IE, [(35)S]-GTPgammaS binding) of a series of 5'-carbamate and 5'-thionocarbamate derivatives of tecadenoson is described. Based on this SAR, selected compounds were eva... aid7581.table aid7581.tbin
7582 1 Title: Affinity and intrinsic efficacy (IE) of 5'-carbamoyl adenosine analogues for the A1 adenosine receptor--efforts towards the discovery of a chronic ventricular rate control agent for the treatment of atrial fibrillation (AF). Abstract: The SAR for the affinity to the A(1) adenosine receptor and relative intrinsic efficacy (IE, [(35)S]-GTPgammaS binding) of a series of 5'-carbamate and 5'-thionocarbamate derivatives of tecadenoson is described. Based on this SAR, selected compounds were eva... aid7582.table aid7582.tbin
7583 2 Title: Discovery, modeling, and human pharmacokinetics of N-(2-acetyl-4,6-dimethylphenyl)-3-(3,4-dimethylisoxazol-5-ylsulfamoyl)thiophene-2-carboxamide (TBC3711), a second generation, ETA selective, and orally bioavailable endothelin antagonist. Abstract: Sitaxsentan (1) (Wu et al. J. Med. Chem. 1997, 40, 1690) is our first endothelin antagonist being evaluated in clinical trials. It has demonstrated biological effects in an acute hemodynamic study in CHF (Givertz et al. Circulation 2000, 101, 2... aid7583.table aid7583.tbin
7584 3 Title: Stereospecific synthesis of chiral metabolites of ifosfamide and their determination in the urine. Abstract: The stereospecific synthesis of two chiral metabolites of ifosfamide (2), 4-ketoifosfamide (5) and 2-amino-3-(2-chloroethyl)tetrahydro-2H-1,3, 2-oxazaphosphorine 2-oxide (9), is reported. The absolute configuration of both compounds was assigned on the basis of chemical correlation. In addition, two other achiral metabolites of 2, carboxyifosfamide (6) and IPAM (7), were synthesize... aid7584.table aid7584.tbin
7585 2 Title: Studies on intestinal permeability of cirrhotic patients by analysis lactulose and mannitol in urine with HPLC/RID/MS. Abstract: The method for separation and determination of lactulose (L) and mannitol (M) in urine was developed by HPLC with a refractive index detector (RID). The linearity ranged from 5 to 1000 microg/mL for L and M, respectively. Recoveries ranged from 93.1% to 97.1%. The intra- and inter-day relative standard deviations of peak area were between 0.8-1.4% (n=3) and 1.4-... aid7585.table aid7585.tbin
7586 2 Title: Studies on intestinal permeability of cirrhotic patients by analysis lactulose and mannitol in urine with HPLC/RID/MS. Abstract: The method for separation and determination of lactulose (L) and mannitol (M) in urine was developed by HPLC with a refractive index detector (RID). The linearity ranged from 5 to 1000 microg/mL for L and M, respectively. Recoveries ranged from 93.1% to 97.1%. The intra- and inter-day relative standard deviations of peak area were between 0.8-1.4% (n=3) and 1.4-... aid7586.table aid7586.tbin
7587 2 Title: Studies on intestinal permeability of cirrhotic patients by analysis lactulose and mannitol in urine with HPLC/RID/MS. Abstract: The method for separation and determination of lactulose (L) and mannitol (M) in urine was developed by HPLC with a refractive index detector (RID). The linearity ranged from 5 to 1000 microg/mL for L and M, respectively. Recoveries ranged from 93.1% to 97.1%. The intra- and inter-day relative standard deviations of peak area were between 0.8-1.4% (n=3) and 1.4-... aid7587.table aid7587.tbin
7588 2 Title: Studies on intestinal permeability of cirrhotic patients by analysis lactulose and mannitol in urine with HPLC/RID/MS. Abstract: The method for separation and determination of lactulose (L) and mannitol (M) in urine was developed by HPLC with a refractive index detector (RID). The linearity ranged from 5 to 1000 microg/mL for L and M, respectively. Recoveries ranged from 93.1% to 97.1%. The intra- and inter-day relative standard deviations of peak area were between 0.8-1.4% (n=3) and 1.4-... aid7588.table aid7588.tbin
7589 2 Title: Studies on intestinal permeability of cirrhotic patients by analysis lactulose and mannitol in urine with HPLC/RID/MS. Abstract: The method for separation and determination of lactulose (L) and mannitol (M) in urine was developed by HPLC with a refractive index detector (RID). The linearity ranged from 5 to 1000 microg/mL for L and M, respectively. Recoveries ranged from 93.1% to 97.1%. The intra- and inter-day relative standard deviations of peak area were between 0.8-1.4% (n=3) and 1.4-... aid7589.table aid7589.tbin
7590 2 Title: Studies on intestinal permeability of cirrhotic patients by analysis lactulose and mannitol in urine with HPLC/RID/MS. Abstract: The method for separation and determination of lactulose (L) and mannitol (M) in urine was developed by HPLC with a refractive index detector (RID). The linearity ranged from 5 to 1000 microg/mL for L and M, respectively. Recoveries ranged from 93.1% to 97.1%. The intra- and inter-day relative standard deviations of peak area were between 0.8-1.4% (n=3) and 1.4-... aid7590.table aid7590.tbin
7591 2 Title: Studies on intestinal permeability of cirrhotic patients by analysis lactulose and mannitol in urine with HPLC/RID/MS. Abstract: The method for separation and determination of lactulose (L) and mannitol (M) in urine was developed by HPLC with a refractive index detector (RID). The linearity ranged from 5 to 1000 microg/mL for L and M, respectively. Recoveries ranged from 93.1% to 97.1%. The intra- and inter-day relative standard deviations of peak area were between 0.8-1.4% (n=3) and 1.4-... aid7591.table aid7591.tbin
7592 9 Title: Metabolic stabilization of benzylidene ketal M(2) muscarinic receptor antagonists via halonaphthoic acid substitution. Abstract: The potential toxicological liabilities of the M(2) muscarinic antagonist 1 were addressed by replacing the methylenedioxyphenyl moiety with a p-methoxyphenyl group, resulting in M(2) selective compounds such as 3. Several halogenated naphthamide derivatives of 3 were studied in order to improve the pharmacokinetic profile via blockage of oxidative metabolism. C... aid7592.table aid7592.tbin
7593 1 Title: Structure-activity relationship study and drug profile of N-(4-fluorophenylsulfonyl)-L-valyl-L-leucinal (SJA6017) as a potent calpain inhibitor. Abstract: Novel N-arylsulfonyldipeptidyl aldehyde derivatives were prepared by DMSO oxidation from the corresponding dipeptide alcohol, and their potencies as calpain inhibitors were evaluated in vitro. Among them, N-(4-fluorophenylsulfonyl)-l-valyl-l-leucinal (8, SJA6017) potently inhibited calpains. 8 also inhibited cathepsin B and L but did no... aid7593.table aid7593.tbin
7594 1 Title: Structure-activity relationship study and drug profile of N-(4-fluorophenylsulfonyl)-L-valyl-L-leucinal (SJA6017) as a potent calpain inhibitor. Abstract: Novel N-arylsulfonyldipeptidyl aldehyde derivatives were prepared by DMSO oxidation from the corresponding dipeptide alcohol, and their potencies as calpain inhibitors were evaluated in vitro. Among them, N-(4-fluorophenylsulfonyl)-l-valyl-l-leucinal (8, SJA6017) potently inhibited calpains. 8 also inhibited cathepsin B and L but did no... aid7594.table aid7594.tbin
7595 1 Title: A new class of diamine-based human histamine H3 receptor antagonists: 4-(aminoalkoxy)benzylamines. Abstract: 4-(Aminoalkoxy)benzylamines were prepared and screened for in vitro activity at the human histamine H(3) receptor. Some members of this series exhibited subnanomolar binding affinities. Analogues in which one nitrogen atom was replaced with a methine group showed greatly reduced binding affinities. Six members of this series were found to be antagonists in a cell-based model of hum... aid7595.table aid7595.tbin
7596 1 Title: Biosensor analysis of the interaction between immobilized human serum albumin and drug compounds for prediction of human serum albumin binding levels. Abstract: The interactions between a set of drugs, selected on the basis of reported human serum albumin (HSA) binding levels, and immobilized HSA were investigated using surface plasmon resonance technology. Major HSA binding sites were available after immobilization. The intensity of the signal obtained from the interaction of the drug wi... aid7596.table aid7596.tbin
7597 4 Title: Nonpeptide alphavbeta3 antagonists. 8. In vitro and in vivo evaluation of a potent alphavbeta3 antagonist for the prevention and treatment of osteoporosis. Abstract: 3(S)-(6-methoxypyridin-3-yl)-3-[2-oxo-3-[3-(5,6,7,8-tetrahydro-[1,8]-naphthyridin-2-yl)propyl]imidazolidin-1-yl]propionic acid 6 was identified as a potent and selective antagonist of the alpha(v)beta(3) receptor. This compound has an excellent in vitro profile (IC(50) = 0.08 nM), a significant unbound fraction in human plasm... aid7597.table aid7597.tbin
7598 5 Title: Novel HIV-1 protease inhibitors active against multiple PI-resistant viral strains: coadministration with indinavir. Abstract: HIV-1 protease inhibitors (PI) with an N-arylpyrrole moiety in the P(3) position afforded excellent antiviral potency and substantially improved aqueous solubility over previously reported variants. The rapid in vitro clearance of these compounds in human liver microsomes prompted oral coadministration with indinavir to hinder their metabolism by the cyctochrome P... aid7598.table aid7598.tbin
7599 5 Title: HIV protease inhibitors with picomolar potency against PI-Resistant HIV-1 by extension of the P3 substituent. Abstract: A biaryl pyridylfuran P(3) substituent on the hydroxyethylene isostere scaffold affords HIV protease inhibitors (PI's) with picomolar (IC(50)) potency against the protease enzymes from PI-resistant HIV-1 strains. Inclusion of a gem-dimethyl substituent afforded compound 3 with 100% oral bioavailability (dogs) and more than double the t(1/2) of indinavir. Inhibition of mu... aid7599.table aid7599.tbin
7600 5 Title: The design, synthesis and evaluation of novel HIV-1 protease inhibitors with high potency against PI-resistant viral strains. Abstract: Replacement of the pyridylmethyl moiety in indinavir with a pyridyl oxazole yielded HIV-1 protease inhibitors (PI) with greatly improved potency against PI-resistant HIV-1 strains. A meta-methoxy group on the pyridyl ring and a gem-dimethyl methyl linkage afforded compound 10 with notable in vitro antiviral activity against HIV-1 viral strains with reduce... aid7600.table aid7600.tbin
7601 2 Title: 8-Aryl xanthines potent inhibitors of phosphodiesterase 5. Abstract: In clinical studies, several inhibitors of phosphodiesterase 5 (PDE5) have demonstrated utility in the treatment of erectile dysfunction. We describe herein a series of 8-aryl xanthine derivatives which function as potent PDE5 inhibitors with, in many cases, high levels of selectivity versus other PDE isoforms. aid7601.table aid7601.tbin
7602 1 Title: 8-Aryl xanthines potent inhibitors of phosphodiesterase 5. Abstract: In clinical studies, several inhibitors of phosphodiesterase 5 (PDE5) have demonstrated utility in the treatment of erectile dysfunction. We describe herein a series of 8-aryl xanthine derivatives which function as potent PDE5 inhibitors with, in many cases, high levels of selectivity versus other PDE isoforms. aid7602.table aid7602.tbin
7603 1 Title: 8-Aryl xanthines potent inhibitors of phosphodiesterase 5. Abstract: In clinical studies, several inhibitors of phosphodiesterase 5 (PDE5) have demonstrated utility in the treatment of erectile dysfunction. We describe herein a series of 8-aryl xanthine derivatives which function as potent PDE5 inhibitors with, in many cases, high levels of selectivity versus other PDE isoforms. aid7603.table aid7603.tbin
7604 2 Title: Hit-to-lead studies: the discovery of potent, orally bioavailable triazolethiol CXCR2 receptor antagonists. Abstract: A Hit-to-Lead optimisation programme was carried out on the high throughput screening hit, the triazolethiol 1, resulting in the discovery of the potent, orally bioavailable triazolethiol CXCR2 receptor antagonist 45. aid7604.table aid7604.tbin
7605 1 Title: Novel HIV-1 protease inhibitors active against multiple PI-resistant viral strains: coadministration with indinavir. Abstract: HIV-1 protease inhibitors (PI) with an N-arylpyrrole moiety in the P(3) position afforded excellent antiviral potency and substantially improved aqueous solubility over previously reported variants. The rapid in vitro clearance of these compounds in human liver microsomes prompted oral coadministration with indinavir to hinder their metabolism by the cyctochrome P... aid7605.table aid7605.tbin
7606 4 Title: Structure-based design and synthesis of non-nucleoside, potent, and orally bioavailable adenosine deaminase inhibitors. Abstract: We disclose optimization efforts based on the novel non-nucleoside adenosine deaminase (ADA) inhibitor, 4 (K(i) = 680 nM). Structure-based drug design utilizing the crystal structure of the 4/ADA complex led to discovery of 5 (K(i) = 11 nM, BA = 30% in rats). Furthermore, from metabolic considerations, we discovered two inhibitors with improved oral bioavailabi... aid7606.table aid7606.tbin
7607 8 Title: Statin-derived 1,3-oxazinan-2-ones as submicromolar inhibitors of LFA-1/ICAM-1 interaction: stabilization of the metabolically labile vanillyl side chain. Abstract: Modification of the vanillyl substituent on a potent, semisynthetic lymphocyte function-associated antigen (LFA)-1/intercellular adhesion molecule (ICAM)-1 binding inhibitor of the statin family resulted in metabolically more stable analogues that displayed submicromolar inhibitory activity in vitro and considerable anti-infla... aid7607.table aid7607.tbin
7608 8 Title: Hit-to-Lead studies: the discovery of potent adamantane amide P2X7 receptor antagonists. Abstract: A Hit-to-Lead optimisation programme was carried out on the adamantane high throughput screening hit 1 resulting in the discovery of a number of potent P2X(7) antagonists. aid7608.table aid7608.tbin
7609 1 Title: Semi-synthetic glycopeptide antibacterials. Abstract: Studies leading to the discovery of TD-6424 and their relevance to other hydrophobically-substituted glycopeptides are reviewed along with a brief comparison of properties for related agents currently undergoing clinical evaluation. aid7609.table aid7609.tbin
7610 1 Maximum concentration was evaluated against man at a dose of 10 mg/kg after po administration aid7610.table aid7610.tbin
7611 1 Title: Semi-synthetic glycopeptide antibacterials. Abstract: Studies leading to the discovery of TD-6424 and their relevance to other hydrophobically-substituted glycopeptides are reviewed along with a brief comparison of properties for related agents currently undergoing clinical evaluation. aid7611.table aid7611.tbin
7612 3 Stability in human plasma 2 hr after incubation expressed as percent concentration aid7612.table aid7612.tbin
7613 3 Stability in human plasma 4 hr after incubation expressed as percent concentration aid7613.table aid7613.tbin
7614 5 Title: Stereospecific synthesis of chiral metabolites of ifosfamide and their determination in the urine. Abstract: The stereospecific synthesis of two chiral metabolites of ifosfamide (2), 4-ketoifosfamide (5) and 2-amino-3-(2-chloroethyl)tetrahydro-2H-1,3, 2-oxazaphosphorine 2-oxide (9), is reported. The absolute configuration of both compounds was assigned on the basis of chemical correlation. In addition, two other achiral metabolites of 2, carboxyifosfamide (6) and IPAM (7), were synthesize... aid7614.table aid7614.tbin
7615 5 Title: Stereospecific synthesis of chiral metabolites of ifosfamide and their determination in the urine. Abstract: The stereospecific synthesis of two chiral metabolites of ifosfamide (2), 4-ketoifosfamide (5) and 2-amino-3-(2-chloroethyl)tetrahydro-2H-1,3, 2-oxazaphosphorine 2-oxide (9), is reported. The absolute configuration of both compounds was assigned on the basis of chemical correlation. In addition, two other achiral metabolites of 2, carboxyifosfamide (6) and IPAM (7), were synthesize... aid7615.table aid7615.tbin
7616 5 Title: Stereospecific synthesis of chiral metabolites of ifosfamide and their determination in the urine. Abstract: The stereospecific synthesis of two chiral metabolites of ifosfamide (2), 4-ketoifosfamide (5) and 2-amino-3-(2-chloroethyl)tetrahydro-2H-1,3, 2-oxazaphosphorine 2-oxide (9), is reported. The absolute configuration of both compounds was assigned on the basis of chemical correlation. In addition, two other achiral metabolites of 2, carboxyifosfamide (6) and IPAM (7), were synthesize... aid7616.table aid7616.tbin
7617 5 Title: Stereospecific synthesis of chiral metabolites of ifosfamide and their determination in the urine. Abstract: The stereospecific synthesis of two chiral metabolites of ifosfamide (2), 4-ketoifosfamide (5) and 2-amino-3-(2-chloroethyl)tetrahydro-2H-1,3, 2-oxazaphosphorine 2-oxide (9), is reported. The absolute configuration of both compounds was assigned on the basis of chemical correlation. In addition, two other achiral metabolites of 2, carboxyifosfamide (6) and IPAM (7), were synthesize... aid7617.table aid7617.tbin
7618 1 Title: N-(cycloalkylamino)acyl-2-aminothiazole inhibitors of cyclin-dependent kinase 2. N-[5-[[[5-(1,1-dimethylethyl)-2-oxazolyl]methyl]thio]-2-thiazolyl]-4- piperidinecarboxamide (BMS-387032), a highly efficacious and selective antitumor agent. Abstract: N-Acyl-2-aminothiazoles with nonaromatic acyl side chains containing a basic amine were found to be potent, selective inhibitors of CDK2/cycE which exhibit antitumor activity in mice. In particular, compound 21 [N-[5-[[[5-(1,1-dimethylethyl)-2-... aid7618.table aid7618.tbin
7619 2 Title: N-(cycloalkylamino)acyl-2-aminothiazole inhibitors of cyclin-dependent kinase 2. N-[5-[[[5-(1,1-dimethylethyl)-2-oxazolyl]methyl]thio]-2-thiazolyl]-4- piperidinecarboxamide (BMS-387032), a highly efficacious and selective antitumor agent. Abstract: N-Acyl-2-aminothiazoles with nonaromatic acyl side chains containing a basic amine were found to be potent, selective inhibitors of CDK2/cycE which exhibit antitumor activity in mice. In particular, compound 21 [N-[5-[[[5-(1,1-dimethylethyl)-2-... aid7619.table aid7619.tbin
7620 1 Title: N-(cycloalkylamino)acyl-2-aminothiazole inhibitors of cyclin-dependent kinase 2. N-[5-[[[5-(1,1-dimethylethyl)-2-oxazolyl]methyl]thio]-2-thiazolyl]-4- piperidinecarboxamide (BMS-387032), a highly efficacious and selective antitumor agent. Abstract: N-Acyl-2-aminothiazoles with nonaromatic acyl side chains containing a basic amine were found to be potent, selective inhibitors of CDK2/cycE which exhibit antitumor activity in mice. In particular, compound 21 [N-[5-[[[5-(1,1-dimethylethyl)-2-... aid7620.table aid7620.tbin
7621 1 Title: N-(cycloalkylamino)acyl-2-aminothiazole inhibitors of cyclin-dependent kinase 2. N-[5-[[[5-(1,1-dimethylethyl)-2-oxazolyl]methyl]thio]-2-thiazolyl]-4- piperidinecarboxamide (BMS-387032), a highly efficacious and selective antitumor agent. Abstract: N-Acyl-2-aminothiazoles with nonaromatic acyl side chains containing a basic amine were found to be potent, selective inhibitors of CDK2/cycE which exhibit antitumor activity in mice. In particular, compound 21 [N-[5-[[[5-(1,1-dimethylethyl)-2-... aid7621.table aid7621.tbin
7622 1 Title: Synthesis and biological activities of (R)-5,6-dihydro-N,N-dimethyl-4H-imidazo[4,5,1-ij]quinolin-5-amine and its metabolites. Abstract: The imidazoquinoline (R)-5,6-Dihydro-N,N-dimethyl-4H-imidazo[4,5,1-ij]quinolin-5-amine [(R)-3] is a potent dopamine agonist when tested in animals but surprisingly shows very low affinity in in vitro binding assays. When incubated with mouse or monkey liver S9 microsomes, (R)-3 is metabolized by N-demethylation and oxidation to (R)-5,6-dihydro-5-(methylam... aid7622.table aid7622.tbin
7623 2 Title: Synthesis and biological activities of (R)-5,6-dihydro-N,N-dimethyl-4H-imidazo[4,5,1-ij]quinolin-5-amine and its metabolites. Abstract: The imidazoquinoline (R)-5,6-Dihydro-N,N-dimethyl-4H-imidazo[4,5,1-ij]quinolin-5-amine [(R)-3] is a potent dopamine agonist when tested in animals but surprisingly shows very low affinity in in vitro binding assays. When incubated with mouse or monkey liver S9 microsomes, (R)-3 is metabolized by N-demethylation and oxidation to (R)-5,6-dihydro-5-(methylam... aid7623.table aid7623.tbin
7624 1 Title: Synthesis and biological activities of (R)-5,6-dihydro-N,N-dimethyl-4H-imidazo[4,5,1-ij]quinolin-5-amine and its metabolites. Abstract: The imidazoquinoline (R)-5,6-Dihydro-N,N-dimethyl-4H-imidazo[4,5,1-ij]quinolin-5-amine [(R)-3] is a potent dopamine agonist when tested in animals but surprisingly shows very low affinity in in vitro binding assays. When incubated with mouse or monkey liver S9 microsomes, (R)-3 is metabolized by N-demethylation and oxidation to (R)-5,6-dihydro-5-(methylam... aid7624.table aid7624.tbin
7625 2 Title: Oxyguanidines: application to non-peptidic phenyl-based thrombin inhibitors. Abstract: Although thrombin has been extensively researched with many examples of potent and selective inhibitors, the key characteristics of oral bioavailability and long half-life have been elusive. We report here a novel series non-peptidic phenyl-based, highly potent, highly selective and orally bioavailable thrombin inhibitors using oxyguanidines as guanidine-mimetics. aid7625.table aid7625.tbin
7626 1 Title: 3-Aminopyrazole inhibitors of CDK2/cyclin A as antitumor agents. 1. Lead finding. Abstract: Abnormal proliferation mediated by disruption of the normal cell cycle mechanisms is a hallmark of virtually all cancer cells. Compounds targeting complexes between cyclin-dependent kinases (CDK) and cyclins, such as CDK2/cyclin A and CDK2/cyclin E, and inhibiting their kinase activity are regarded as promising antitumor agents to complement the existing therapies. From a high-throughput screening ... aid7626.table aid7626.tbin
7627 2 Title: Development of a new radioligand, N-(5-fluoro-2-phenoxyphenyl)-N-(2-[18F]fluoroethyl-5-methoxybenzyl)acetamide, for pet imaging of peripheral benzodiazepine receptor in primate brain. Abstract: To develop a positron emission tomography (PET) ligand for imaging the 'peripheral benzodiazepine receptor' (PBR) in brain and elucidating the relationship between PBR and brain diseases, four analogues (4-7) of N-(2,5-dimethoxybenzyl)-N-(5-fluoro-2-phenoxyphenyl)acetamide (2) were synthesized and ... aid7627.table aid7627.tbin
7628 1 Title: Development of a new radioligand, N-(5-fluoro-2-phenoxyphenyl)-N-(2-[18F]fluoroethyl-5-methoxybenzyl)acetamide, for pet imaging of peripheral benzodiazepine receptor in primate brain. Abstract: To develop a positron emission tomography (PET) ligand for imaging the 'peripheral benzodiazepine receptor' (PBR) in brain and elucidating the relationship between PBR and brain diseases, four analogues (4-7) of N-(2,5-dimethoxybenzyl)-N-(5-fluoro-2-phenoxyphenyl)acetamide (2) were synthesized and ... aid7628.table aid7628.tbin
7629 1 Title: Development of a new radioligand, N-(5-fluoro-2-phenoxyphenyl)-N-(2-[18F]fluoroethyl-5-methoxybenzyl)acetamide, for pet imaging of peripheral benzodiazepine receptor in primate brain. Abstract: To develop a positron emission tomography (PET) ligand for imaging the 'peripheral benzodiazepine receptor' (PBR) in brain and elucidating the relationship between PBR and brain diseases, four analogues (4-7) of N-(2,5-dimethoxybenzyl)-N-(5-fluoro-2-phenoxyphenyl)acetamide (2) were synthesized and ... aid7629.table aid7629.tbin
7630 2 Title: Development of a new radioligand, N-(5-fluoro-2-phenoxyphenyl)-N-(2-[18F]fluoroethyl-5-methoxybenzyl)acetamide, for pet imaging of peripheral benzodiazepine receptor in primate brain. Abstract: To develop a positron emission tomography (PET) ligand for imaging the 'peripheral benzodiazepine receptor' (PBR) in brain and elucidating the relationship between PBR and brain diseases, four analogues (4-7) of N-(2,5-dimethoxybenzyl)-N-(5-fluoro-2-phenoxyphenyl)acetamide (2) were synthesized and ... aid7630.table aid7630.tbin
7631 2 Title: Development of a new radioligand, N-(5-fluoro-2-phenoxyphenyl)-N-(2-[18F]fluoroethyl-5-methoxybenzyl)acetamide, for pet imaging of peripheral benzodiazepine receptor in primate brain. Abstract: To develop a positron emission tomography (PET) ligand for imaging the 'peripheral benzodiazepine receptor' (PBR) in brain and elucidating the relationship between PBR and brain diseases, four analogues (4-7) of N-(2,5-dimethoxybenzyl)-N-(5-fluoro-2-phenoxyphenyl)acetamide (2) were synthesized and ... aid7631.table aid7631.tbin
7632 2 Title: Development of a new radioligand, N-(5-fluoro-2-phenoxyphenyl)-N-(2-[18F]fluoroethyl-5-methoxybenzyl)acetamide, for pet imaging of peripheral benzodiazepine receptor in primate brain. Abstract: To develop a positron emission tomography (PET) ligand for imaging the 'peripheral benzodiazepine receptor' (PBR) in brain and elucidating the relationship between PBR and brain diseases, four analogues (4-7) of N-(2,5-dimethoxybenzyl)-N-(5-fluoro-2-phenoxyphenyl)acetamide (2) were synthesized and ... aid7632.table aid7632.tbin
7633 17 Title: Synthesis and antibacterial evaluation of novel 2-[N-Imidoylpyrrolidinyl] carbapenems. Abstract: The synthesis, antibacterial activity and DHP-susceptibility of a series of novel carbapenems, directly linked with heterocyclic moiety are described. Especially, the compounds linked pyrrolidine-carbapenem exhibited to have a good antibacterial activity against Staphylococcus aureus (MRSA) as well as Pseudomonas aeruginosa to maintain a good stability towards DHP-I. aid7633.table aid7633.tbin
7634 16 Title: The cholesterol metabolite cholest-4-en-3-one and its 3-oxo derivatives suppress body weight gain, body fat accumulation and serum lipid concentration in mice. Abstract: Based on the findings that cholest-4-en-3-one, an intestinal metabolite of cholesterol, has an anti-obesity effect on animals, the structure-effect relationship of its 3-oxo derivatives and related compounds were investigated. Cholesten-3-ones, which possesses an enone structure with a carbonyl group at C3, markedly inhib... aid7634.table aid7634.tbin
7635 16 Title: The cholesterol metabolite cholest-4-en-3-one and its 3-oxo derivatives suppress body weight gain, body fat accumulation and serum lipid concentration in mice. Abstract: Based on the findings that cholest-4-en-3-one, an intestinal metabolite of cholesterol, has an anti-obesity effect on animals, the structure-effect relationship of its 3-oxo derivatives and related compounds were investigated. Cholesten-3-ones, which possesses an enone structure with a carbonyl group at C3, markedly inhib... aid7635.table aid7635.tbin
7636 16 Title: The cholesterol metabolite cholest-4-en-3-one and its 3-oxo derivatives suppress body weight gain, body fat accumulation and serum lipid concentration in mice. Abstract: Based on the findings that cholest-4-en-3-one, an intestinal metabolite of cholesterol, has an anti-obesity effect on animals, the structure-effect relationship of its 3-oxo derivatives and related compounds were investigated. Cholesten-3-ones, which possesses an enone structure with a carbonyl group at C3, markedly inhib... aid7636.table aid7636.tbin
7637 2 Title: Design and synthesis of a fluoroindolocarbazole series as selective topoisomerase I active agents. Discovery of water-soluble 3,9-difluoro-12,13-dihydro-13-[6-amino-beta-D-glucopyranosyl]-5H,13H-benzo[b]- thienyl[2,3-a]pyrrolo[3,4-c]carbazole- 5,7(6H)-dione (BMS-251873) with curative antitumor activity against prostate carcinoma xenograft tumor model. Abstract: A series of fluoroindolocarbazoles were studied with respect to their topoisomerase I activity, cytotoxicity, selectivity, and in... aid7637.table aid7637.tbin
7638 1 Title: Design and synthesis of a fluoroindolocarbazole series as selective topoisomerase I active agents. Discovery of water-soluble 3,9-difluoro-12,13-dihydro-13-[6-amino-beta-D-glucopyranosyl]-5H,13H-benzo[b]- thienyl[2,3-a]pyrrolo[3,4-c]carbazole- 5,7(6H)-dione (BMS-251873) with curative antitumor activity against prostate carcinoma xenograft tumor model. Abstract: A series of fluoroindolocarbazoles were studied with respect to their topoisomerase I activity, cytotoxicity, selectivity, and in... aid7638.table aid7638.tbin
7639 1 Title: Design and synthesis of a fluoroindolocarbazole series as selective topoisomerase I active agents. Discovery of water-soluble 3,9-difluoro-12,13-dihydro-13-[6-amino-beta-D-glucopyranosyl]-5H,13H-benzo[b]- thienyl[2,3-a]pyrrolo[3,4-c]carbazole- 5,7(6H)-dione (BMS-251873) with curative antitumor activity against prostate carcinoma xenograft tumor model. Abstract: A series of fluoroindolocarbazoles were studied with respect to their topoisomerase I activity, cytotoxicity, selectivity, and in... aid7639.table aid7639.tbin
7640 1 Title: N-(cycloalkylamino)acyl-2-aminothiazole inhibitors of cyclin-dependent kinase 2. N-[5-[[[5-(1,1-dimethylethyl)-2-oxazolyl]methyl]thio]-2-thiazolyl]-4- piperidinecarboxamide (BMS-387032), a highly efficacious and selective antitumor agent. Abstract: N-Acyl-2-aminothiazoles with nonaromatic acyl side chains containing a basic amine were found to be potent, selective inhibitors of CDK2/cycE which exhibit antitumor activity in mice. In particular, compound 21 [N-[5-[[[5-(1,1-dimethylethyl)-2-... aid7640.table aid7640.tbin
7641 1 Title: N-(cycloalkylamino)acyl-2-aminothiazole inhibitors of cyclin-dependent kinase 2. N-[5-[[[5-(1,1-dimethylethyl)-2-oxazolyl]methyl]thio]-2-thiazolyl]-4- piperidinecarboxamide (BMS-387032), a highly efficacious and selective antitumor agent. Abstract: N-Acyl-2-aminothiazoles with nonaromatic acyl side chains containing a basic amine were found to be potent, selective inhibitors of CDK2/cycE which exhibit antitumor activity in mice. In particular, compound 21 [N-[5-[[[5-(1,1-dimethylethyl)-2-... aid7641.table aid7641.tbin
7642 2 Title: N-(cycloalkylamino)acyl-2-aminothiazole inhibitors of cyclin-dependent kinase 2. N-[5-[[[5-(1,1-dimethylethyl)-2-oxazolyl]methyl]thio]-2-thiazolyl]-4- piperidinecarboxamide (BMS-387032), a highly efficacious and selective antitumor agent. Abstract: N-Acyl-2-aminothiazoles with nonaromatic acyl side chains containing a basic amine were found to be potent, selective inhibitors of CDK2/cycE which exhibit antitumor activity in mice. In particular, compound 21 [N-[5-[[[5-(1,1-dimethylethyl)-2-... aid7642.table aid7642.tbin
7643 1 Title: N-(cycloalkylamino)acyl-2-aminothiazole inhibitors of cyclin-dependent kinase 2. N-[5-[[[5-(1,1-dimethylethyl)-2-oxazolyl]methyl]thio]-2-thiazolyl]-4- piperidinecarboxamide (BMS-387032), a highly efficacious and selective antitumor agent. Abstract: N-Acyl-2-aminothiazoles with nonaromatic acyl side chains containing a basic amine were found to be potent, selective inhibitors of CDK2/cycE which exhibit antitumor activity in mice. In particular, compound 21 [N-[5-[[[5-(1,1-dimethylethyl)-2-... aid7643.table aid7643.tbin
7644 1 Title: N-(cycloalkylamino)acyl-2-aminothiazole inhibitors of cyclin-dependent kinase 2. N-[5-[[[5-(1,1-dimethylethyl)-2-oxazolyl]methyl]thio]-2-thiazolyl]-4- piperidinecarboxamide (BMS-387032), a highly efficacious and selective antitumor agent. Abstract: N-Acyl-2-aminothiazoles with nonaromatic acyl side chains containing a basic amine were found to be potent, selective inhibitors of CDK2/cycE which exhibit antitumor activity in mice. In particular, compound 21 [N-[5-[[[5-(1,1-dimethylethyl)-2-... aid7644.table aid7644.tbin
7645 1 Title: N-(cycloalkylamino)acyl-2-aminothiazole inhibitors of cyclin-dependent kinase 2. N-[5-[[[5-(1,1-dimethylethyl)-2-oxazolyl]methyl]thio]-2-thiazolyl]-4- piperidinecarboxamide (BMS-387032), a highly efficacious and selective antitumor agent. Abstract: N-Acyl-2-aminothiazoles with nonaromatic acyl side chains containing a basic amine were found to be potent, selective inhibitors of CDK2/cycE which exhibit antitumor activity in mice. In particular, compound 21 [N-[5-[[[5-(1,1-dimethylethyl)-2-... aid7645.table aid7645.tbin
7646 1 Title: Discovery of aminothiazole inhibitors of cyclin-dependent kinase 2: synthesis, X-ray crystallographic analysis, and biological activities. Abstract: High throughput screening identified 2-acetamido-thiazolylthio acetic ester 1 as an inhibitor of cyclin-dependent kinase 2 (CDK2). Because this compound is inactive in cells and unstable in plasma, we have stabilized it to metabolic hydrolysis by replacing the ester moiety with a 5-ethyl-substituted oxazole as in compound 14. Combinatorial an... aid7646.table aid7646.tbin
7647 1 Title: The synthesis and biological evaluation of a novel series of indole PDE4 inhibitors I. Abstract: This communication describes the synthesis and in vitro evaluation of a novel potent series of phosphodiesterase type (IV) (PDE4) inhibitors. The compounds described contain an indole moiety which replaces the 'rolipram-like' 3-methoxy-4-cyclopentoxy motif. Several of the compounds presented possess low nanomolar IC50's for PDEIV inhibition. In vivo activities determined from measurement of se... aid7647.table aid7647.tbin
7648 1 Title: The synthesis and biological evaluation of a novel series of indole PDE4 inhibitors I. Abstract: This communication describes the synthesis and in vitro evaluation of a novel potent series of phosphodiesterase type (IV) (PDE4) inhibitors. The compounds described contain an indole moiety which replaces the 'rolipram-like' 3-methoxy-4-cyclopentoxy motif. Several of the compounds presented possess low nanomolar IC50's for PDEIV inhibition. In vivo activities determined from measurement of se... aid7648.table aid7648.tbin
7649 2 Title: Discovery of aminothiazole inhibitors of cyclin-dependent kinase 2: synthesis, X-ray crystallographic analysis, and biological activities. Abstract: High throughput screening identified 2-acetamido-thiazolylthio acetic ester 1 as an inhibitor of cyclin-dependent kinase 2 (CDK2). Because this compound is inactive in cells and unstable in plasma, we have stabilized it to metabolic hydrolysis by replacing the ester moiety with a 5-ethyl-substituted oxazole as in compound 14. Combinatorial an... aid7649.table aid7649.tbin
7650 1 Title: Pyrrolo[2,3-d]pyrimidines containing diverse N-7 substituents as potent inhibitors of Lck. Abstract: A series of pyrrolo[2,3-d]pyrimidines was synthesized and evaluated as inhibitors of Lck. Lck accommodates a diverse set of substituents at N-7. Altering the substituent at N-7 provided compound 13, an orally available lck inhibitor which inhibited TCR mediated IL-2 production after oral dosing. aid7650.table aid7650.tbin
7651 3 Evaluated for pharmacokinetic parameter half-life in mouse at the dose 20 mg/kg aid7651.table aid7651.tbin
7652 1 Title: Sultam hydroxamates as novel matrix metalloproteinase inhibitors. Abstract: In this communication we describe the design, synthesis, and evaluation of novel sultam hydroxamates 4 as MMP-2, -9, and -13 inhibitors. Compound 26 was found to be an active inhibitor (MMP-2 IC(50) = 1 nM) with 1000-fold selectivity over MMP-1 and good oral bioavailability (F = 43%) in mouse. An X-ray crystal structure of 26 in MMP-13 confirms the key hydrogen bonds and prime side binding in the active site. aid7652.table aid7652.tbin
7653 1 Title: Discovery of aminothiazole inhibitors of cyclin-dependent kinase 2: synthesis, X-ray crystallographic analysis, and biological activities. Abstract: High throughput screening identified 2-acetamido-thiazolylthio acetic ester 1 as an inhibitor of cyclin-dependent kinase 2 (CDK2). Because this compound is inactive in cells and unstable in plasma, we have stabilized it to metabolic hydrolysis by replacing the ester moiety with a 5-ethyl-substituted oxazole as in compound 14. Combinatorial an... aid7653.table aid7653.tbin
7654 1 Title: Discovery of aminothiazole inhibitors of cyclin-dependent kinase 2: synthesis, X-ray crystallographic analysis, and biological activities. Abstract: High throughput screening identified 2-acetamido-thiazolylthio acetic ester 1 as an inhibitor of cyclin-dependent kinase 2 (CDK2). Because this compound is inactive in cells and unstable in plasma, we have stabilized it to metabolic hydrolysis by replacing the ester moiety with a 5-ethyl-substituted oxazole as in compound 14. Combinatorial an... aid7654.table aid7654.tbin
7655 1 Title: The development of potent non-peptidic PTP-1B inhibitors. Abstract: The SAR from our peptide libraries was exploited to design a series of potent deoxybenzoin PTP-1B inhibitors. The introduction of an ortho bromo substituent next to the difluoromethylphosphonate warhead gave up to 20-fold increase in potency compared to the desbromo analogues. In addition, these compounds were orally bioavailable and active in the animal models of non-insulin dependent diabetes mellitus (NIDDM). aid7655.table aid7655.tbin
7656 4 Title: Synthesis and antibacterial activity of 2alpha-functionalized 1beta-methylcarbapenems related to KR-21012. Abstract: The 2alpha-functionalized 1beta-methylcarbapenems 3 were synthesized from the 2-formyl 1beta-methylcarbapenem intermediate 5. The best compound in the series of 2alpha-(hydroxy)alkylcarbapenems, KR-21012, displayed well balanced in vitro and in vivo activity as a parent compound of oral carbapenem. aid7656.table aid7656.tbin
7657 1 Title: Indazolylamino quinazolines and pyridopyrimidines as inhibitors of the EGFr and C-erbB-2. Abstract: Described herein is the design and synthesis of indazolylaminopyridopyrimidines and quinazolines as inhibitors of the class 1 tyrosine kinase receptor family. Data is presented for N(4)-(1-benzyl-1H-indazol-5-yl)-N(6),N(6)-dimethylpyrido[3,4-d]pyrimidine-4,6-diamine 3B. This compound inhibited EGFr and c-erbB-2 enzymes selectively over other kinases. It inhibited the proliferation of a rang... aid7657.table aid7657.tbin
7658 7 Title: Synthesis and biological activity of N-Acylated ornithine analogues of daptomycin. Abstract: N-Acylated ornithine analogues of daptomycin were synthesized and tested for their antibacterial efficacy. aid7658.table aid7658.tbin
7659 9 Title: Adriamycin analogues. Preparation and biological evaluation of some thio ester analogues of adriamycin and N-(trifluoroacetyl)adriamycin 14-valerate. Abstract: On the consideration that the highly active DNA-nonbinding adriamycin analogues N-(trifluoroacetyl)adriamycin 14-valerate and N-(trifluoroacetyl)adriamycin 14-O-hemiadipate undergo initial metabolic conversion to N-(trifluoroacetyl)adriamycin by the action of nonspecific serum and tissue esterases, a number of N-(trifluoroacetyl)ad... aid7659.table aid7659.tbin
7660 1 Title: Adriamycin analogues. Preparation and biological evaluation of some thio ester analogues of adriamycin and N-(trifluoroacetyl)adriamycin 14-valerate. Abstract: On the consideration that the highly active DNA-nonbinding adriamycin analogues N-(trifluoroacetyl)adriamycin 14-valerate and N-(trifluoroacetyl)adriamycin 14-O-hemiadipate undergo initial metabolic conversion to N-(trifluoroacetyl)adriamycin by the action of nonspecific serum and tissue esterases, a number of N-(trifluoroacetyl)ad... aid7660.table aid7660.tbin
7661 1 Title: Semisynthetic macrolide antibacterials derived from tylosin. Synthesis and structure-activity relationships of novel desmycosin analogues. Abstract: A series of 20-O-substituted and 3,20-di-O-substituted derivatives of desmycosin were synthesized and their biological properties were evaluated. In particular, we have synthesized numerous side chain modified analogues of desmycosin as well as some analogues possessing a combination of modified side chain and alternative C-3 substituents. Th... aid7661.table aid7661.tbin
7662 1 Title: Semisynthetic macrolide antibacterials derived from tylosin. Synthesis and structure-activity relationships of novel desmycosin analogues. Abstract: A series of 20-O-substituted and 3,20-di-O-substituted derivatives of desmycosin were synthesized and their biological properties were evaluated. In particular, we have synthesized numerous side chain modified analogues of desmycosin as well as some analogues possessing a combination of modified side chain and alternative C-3 substituents. Th... aid7662.table aid7662.tbin
7663 1 Title: Semisynthetic macrolide antibacterials derived from tylosin. Synthesis and structure-activity relationships of novel desmycosin analogues. Abstract: A series of 20-O-substituted and 3,20-di-O-substituted derivatives of desmycosin were synthesized and their biological properties were evaluated. In particular, we have synthesized numerous side chain modified analogues of desmycosin as well as some analogues possessing a combination of modified side chain and alternative C-3 substituents. Th... aid7663.table aid7663.tbin
7664 1 Title: Semisynthetic macrolide antibacterials derived from tylosin. Synthesis and structure-activity relationships of novel desmycosin analogues. Abstract: A series of 20-O-substituted and 3,20-di-O-substituted derivatives of desmycosin were synthesized and their biological properties were evaluated. In particular, we have synthesized numerous side chain modified analogues of desmycosin as well as some analogues possessing a combination of modified side chain and alternative C-3 substituents. Th... aid7664.table aid7664.tbin
7665 1 Title: Semisynthetic macrolide antibacterials derived from tylosin. Synthesis and structure-activity relationships of novel desmycosin analogues. Abstract: A series of 20-O-substituted and 3,20-di-O-substituted derivatives of desmycosin were synthesized and their biological properties were evaluated. In particular, we have synthesized numerous side chain modified analogues of desmycosin as well as some analogues possessing a combination of modified side chain and alternative C-3 substituents. Th... aid7665.table aid7665.tbin
7666 2 Title: Discovery of aminothiazole inhibitors of cyclin-dependent kinase 2: synthesis, X-ray crystallographic analysis, and biological activities. Abstract: High throughput screening identified 2-acetamido-thiazolylthio acetic ester 1 as an inhibitor of cyclin-dependent kinase 2 (CDK2). Because this compound is inactive in cells and unstable in plasma, we have stabilized it to metabolic hydrolysis by replacing the ester moiety with a 5-ethyl-substituted oxazole as in compound 14. Combinatorial an... aid7666.table aid7666.tbin
7667 1 Title: Pyrrolo[2,3-d]pyrimidines containing diverse N-7 substituents as potent inhibitors of Lck. Abstract: A series of pyrrolo[2,3-d]pyrimidines was synthesized and evaluated as inhibitors of Lck. Lck accommodates a diverse set of substituents at N-7. Altering the substituent at N-7 provided compound 13, an orally available lck inhibitor which inhibited TCR mediated IL-2 production after oral dosing. aid7667.table aid7667.tbin
7668 2 Evaluated for pharmacokinetic parameter tmax in mouse at the dose 20 mg/kg aid7668.table aid7668.tbin
7669 1 Evaluated for pharmacokinetic parameter tmax in mouse at the dose 20 mg/kg was determined aid7669.table aid7669.tbin
7670 1 Title: Synthesis and biological activity of N-Acylated ornithine analogues of daptomycin. Abstract: N-Acylated ornithine analogues of daptomycin were synthesized and tested for their antibacterial efficacy. aid7670.table aid7670.tbin
7671 1 Title: Gold(III) complexes with bipyridyl ligands: solution chemistry, cytotoxicity, and DNA binding properties. Abstract: Gold(III) compounds generally exhibit significant cytotoxic effects on cancer cell lines and are of potential interest as antitumor drugs. We report here on the solution chemistry, the cytotoxicity, and the DNA binding properties of two new bipyridyl gold(III) compounds: [Au(bipy)(OH)(2)][PF(6)] (1) and the organometallic compound [Au(bipy(c)-H)(OH)][PF(6)] (2) (bipy(c) = 6-... aid7671.table aid7671.tbin
7672 1 Title: Gold(III) complexes with bipyridyl ligands: solution chemistry, cytotoxicity, and DNA binding properties. Abstract: Gold(III) compounds generally exhibit significant cytotoxic effects on cancer cell lines and are of potential interest as antitumor drugs. We report here on the solution chemistry, the cytotoxicity, and the DNA binding properties of two new bipyridyl gold(III) compounds: [Au(bipy)(OH)(2)][PF(6)] (1) and the organometallic compound [Au(bipy(c)-H)(OH)][PF(6)] (2) (bipy(c) = 6-... aid7672.table aid7672.tbin
7673 1 Title: Gold(III) complexes with bipyridyl ligands: solution chemistry, cytotoxicity, and DNA binding properties. Abstract: Gold(III) compounds generally exhibit significant cytotoxic effects on cancer cell lines and are of potential interest as antitumor drugs. We report here on the solution chemistry, the cytotoxicity, and the DNA binding properties of two new bipyridyl gold(III) compounds: [Au(bipy)(OH)(2)][PF(6)] (1) and the organometallic compound [Au(bipy(c)-H)(OH)][PF(6)] (2) (bipy(c) = 6-... aid7673.table aid7673.tbin
7674 1 Title: Gold(III) complexes with bipyridyl ligands: solution chemistry, cytotoxicity, and DNA binding properties. Abstract: Gold(III) compounds generally exhibit significant cytotoxic effects on cancer cell lines and are of potential interest as antitumor drugs. We report here on the solution chemistry, the cytotoxicity, and the DNA binding properties of two new bipyridyl gold(III) compounds: [Au(bipy)(OH)(2)][PF(6)] (1) and the organometallic compound [Au(bipy(c)-H)(OH)][PF(6)] (2) (bipy(c) = 6-... aid7674.table aid7674.tbin
7675 1 Title: Gold(III) complexes with bipyridyl ligands: solution chemistry, cytotoxicity, and DNA binding properties. Abstract: Gold(III) compounds generally exhibit significant cytotoxic effects on cancer cell lines and are of potential interest as antitumor drugs. We report here on the solution chemistry, the cytotoxicity, and the DNA binding properties of two new bipyridyl gold(III) compounds: [Au(bipy)(OH)(2)][PF(6)] (1) and the organometallic compound [Au(bipy(c)-H)(OH)][PF(6)] (2) (bipy(c) = 6-... aid7675.table aid7675.tbin
7676 1 Title: Gold(III) complexes with bipyridyl ligands: solution chemistry, cytotoxicity, and DNA binding properties. Abstract: Gold(III) compounds generally exhibit significant cytotoxic effects on cancer cell lines and are of potential interest as antitumor drugs. We report here on the solution chemistry, the cytotoxicity, and the DNA binding properties of two new bipyridyl gold(III) compounds: [Au(bipy)(OH)(2)][PF(6)] (1) and the organometallic compound [Au(bipy(c)-H)(OH)][PF(6)] (2) (bipy(c) = 6-... aid7676.table aid7676.tbin
7677 9 Title: Synthesis and biological evaluation of 2'-methyl taxoids derived from baccatin III and 14beta-OH-baccatin III 1,14-carbonate. Abstract: A series of 2'-methyl taxoids were synthesized and essayed for growth inhibition experiments conducted in human ovarian cancer cell line A2780wt and its counterparts A2780cis, A2780tax, and A2780adr, resistant to cisplatin, paclitaxel, and doxorubicin, respectively, to test the effect of this substituent on the antitumor activity. Additional experiments w... aid7677.table aid7677.tbin
7678 1 Title: Synthesis of the first examples of A-C8/C-C2 amide-Linked pyrrolo[2,1-c][1,4]benzodiazepine dimers. Abstract: We report the synthesis of novel A-C8/C-C2 amide-linked pyrrolo[2,1-c][1,4]benzodiazepine dimers (4a and 4b) via convergent routes. These compounds lack the potent DNA interstrand cross-linking ability and resultant pronounced cytotoxicity of the known A-C8/A-C8' linked dimers (e.g., 2a-b). aid7678.table aid7678.tbin
7679 22 Title: Synthesis and biological evaluation of novel chloroethylaminoanthraquinones with potent cytotoxic activity against cisplatin-resistant tumor cells. Abstract: Novel 1- and 1,4-substituted chloroethylaminoanthraquinones with DNA binding and alkylating properties along with their respective hydroxyethylaminoanthraquinone intermediates were synthesized. Selected chloroethylaminoanthraquinones were shown to cross-link DNA and alkylate guanines (at low nM concentration) with a preference for re... aid7679.table aid7679.tbin
7680 4 Title: A new class of symmetric bisbenzimidazole-based DNA minor groove-binding agents showing antitumor activity. Abstract: The synthesis and evaluation of the novel head-to-head bisbenzimidazole compound 2,2-bis[4'-(3''-dimethylamino-1''-propyloxy)phenyl]-5,5-bi-1H-benzimidazole is described. An X-ray crystallographic study of a complex with the DNA dodecanucleotide sequence d(CGCGAATTCGCG) shows the compound bound in the A/T minor groove region of a B-DNA duplex and that the head-to-head bisb... aid7680.table aid7680.tbin
7681 4 Title: N4-(omega-Aminoalkyl)-1-[(omega-aminoalkyl)amino]-4- acridinecarboxamides: novel, potent, cytotoxic, and DNA-binding agents. Abstract: A series of DNA-binding potential antitumor agents, (omega-aminoalkyl)-4-acridinecarboxamides, has been prepared either by reduction of the corresponding (omega-aminoalkyl)-9-oxo-9, 10-dihydro-4-acridinecarboxamides with aluminum amalgam or by aminolysis of the corresponding (omega-aminoalkyl)-1-chloro-4-acridinecarboxamides with the suitable amine. The no... aid7681.table aid7681.tbin
7682 6 Title: Synthesis and biological evaluation of pyrrolo[2,1-c][1,4]benzodiazepine (PBD) C8 cyclic amine conjugates. Abstract: We report examples of a series of novel pyrrolo[2,1-c][1,4]benzodiazepine (PBD) analogues 12-15 prepared from a common functionalized building block 11 that can be conveniently synthesized on a large scale and in optically pure form. Isoindoline analogue 15 is the most cytotoxic agent in this series, has the highest DNA-binding affinity, and shows significant activity in th... aid7682.table aid7682.tbin
7683 14 Title: Preparation and characterization of platinum(II) and (IV) complexes of 1,3-diaminepropane and 1,4-diaminebutane: circumvention of cisplatin resistance and DNA interstrand cross-link formation in CH1cisR ovarian tumor cells. Abstract: The reaction of Pt(dimethyl sulfoxide)(2)CBDCA (CBDCA = 1,1-cyclobutanedicarboxylate) with 1,4-diaminebutane and 1,3-diaminepropane ligands yields, under certain conditions, new [Pt(diamine)(2)]CBDCA complexes (1a,b), where the CBDCA ligand has been removed f... aid7683.table aid7683.tbin
7684 9 Title: New cytotoxic and water-soluble bis(2-phenylazopyridine)ruthenium(II) complexes. Abstract: New water-soluble bis(2-phenylazopyridine)ruthenium(II) complexes, all derivatives of the highly cytotoxic alpha-[Ru(azpy)(2)Cl(2)] (alpha denoting the coordinating pairs Cl, N(py), and N(azo) as cis, trans, cis, respectively) have been developed. The compounds 1,1-cyclobutanedicarboxylatobis(2-phenylazopyridine)ruthenium(II), alpha-[Ru(azpy)(2)(cbdca-O,O')] (1), oxalatobis(2-phenylazopyridine)ruthe... aid7684.table aid7684.tbin
7685 32 Title: Synthesis and in vitro and in vivo antitumor activity of a series of trans platinum antitumor complexes. Abstract: The synthesis of a series of platinum complexes of trans coordination geometry [centered around the general formula, trans-ammine(amine)dichlorodihydroxoplatinum(IV) plus corresponding tetrachloroplatinum(IV) or Pt(II) counterparts] is described as part of a drug discovery program to identify more effective platinum-based anticancer drugs, particularly targeted toward the cir... aid7685.table aid7685.tbin
7686 3 Title: Synthesis and biological evaluation of an N10-Psec substituted pyrrolo[2,1-c][1,4]benzodiazepine prodrug. Abstract: The first example of an N10-protected (e.g., Psec, 15) pyrrolo[2,1-c][1,4]benzodiazepine (PBD) analogue that retains significant cytotoxicity in a number of tumour cell lines is reported. This prototype could lead to a new generation of clinically useful N10-protected PBD prodrugs. aid7686.table aid7686.tbin
7687 24 Title: Synthesis and in vitro and in vivo antitumor activity of a series of trans platinum antitumor complexes. Abstract: The synthesis of a series of platinum complexes of trans coordination geometry [centered around the general formula, trans-ammine(amine)dichlorodihydroxoplatinum(IV) plus corresponding tetrachloroplatinum(IV) or Pt(II) counterparts] is described as part of a drug discovery program to identify more effective platinum-based anticancer drugs, particularly targeted toward the cir... aid7687.table aid7687.tbin
7688 8 Title: Novel soluble cationic trans-diaminedichloroplatinum(II) complexes that are active against cisplatin resistant ovarian cancer cell lines. Abstract: Positively charged, water soluble cis/trans-[PtCl(2)(piperazine)(Am1)] (where Am1 = NH(3), n-butylamine, isopropylamine, 4-picoline, piperidine, and piperazine) has significant cytotoxic activity against cisplatin resistant ovarian cancer cells. The charged complexes are taken up by cancer cells much more rapidly than cisplatin and bind to cel... aid7688.table aid7688.tbin
7689 2 Title: Discovery of aminothiazole inhibitors of cyclin-dependent kinase 2: synthesis, X-ray crystallographic analysis, and biological activities. Abstract: High throughput screening identified 2-acetamido-thiazolylthio acetic ester 1 as an inhibitor of cyclin-dependent kinase 2 (CDK2). Because this compound is inactive in cells and unstable in plasma, we have stabilized it to metabolic hydrolysis by replacing the ester moiety with a 5-ethyl-substituted oxazole as in compound 14. Combinatorial an... aid7689.table aid7689.tbin
7690 2 Title: Imidazo[2,1-i]purin-5-ones and related tricyclic water-soluble purine derivatives: potent A(2A)- and A(3)-adenosine receptor antagonists. Abstract: A series of tricyclic imidazo[2,1-i]purinones and ring-enlarged analogues derived from xanthine derivatives have been prepared as adenosine receptor (AR) antagonists. In comparison with xanthines, the tricyclic compounds exhibit increased water solubility due to a basic nitrogen atom, which can be protonated under physiological conditions. Sub... aid7690.table aid7690.tbin
7691 5 Title: Imidazo[2,1-i]purin-5-ones and related tricyclic water-soluble purine derivatives: potent A(2A)- and A(3)-adenosine receptor antagonists. Abstract: A series of tricyclic imidazo[2,1-i]purinones and ring-enlarged analogues derived from xanthine derivatives have been prepared as adenosine receptor (AR) antagonists. In comparison with xanthines, the tricyclic compounds exhibit increased water solubility due to a basic nitrogen atom, which can be protonated under physiological conditions. Sub... aid7691.table aid7691.tbin
7692 1 Title: Imidazo[2,1-i]purin-5-ones and related tricyclic water-soluble purine derivatives: potent A(2A)- and A(3)-adenosine receptor antagonists. Abstract: A series of tricyclic imidazo[2,1-i]purinones and ring-enlarged analogues derived from xanthine derivatives have been prepared as adenosine receptor (AR) antagonists. In comparison with xanthines, the tricyclic compounds exhibit increased water solubility due to a basic nitrogen atom, which can be protonated under physiological conditions. Sub... aid7692.table aid7692.tbin
7693 37 Title: Anilide derivatives of an 8-phenylxanthine carboxylic congener are highly potent and selective antagonists at human A(2B) adenosine receptors. Abstract: No highly selective antagonists of the A(2B) adenosine receptor (AR) have been reported; however such antagonists have therapeutic potential as antiasthmatic agents. Here we report the synthesis of potent and selective A(2B) receptor antagonists. The structure-activity relationships (SAR) of 8-phenyl-1, 3-di-(n-propyl)xanthine derivatives... aid7693.table aid7693.tbin
7694 3 Title: Anilide derivatives of an 8-phenylxanthine carboxylic congener are highly potent and selective antagonists at human A(2B) adenosine receptors. Abstract: No highly selective antagonists of the A(2B) adenosine receptor (AR) have been reported; however such antagonists have therapeutic potential as antiasthmatic agents. Here we report the synthesis of potent and selective A(2B) receptor antagonists. The structure-activity relationships (SAR) of 8-phenyl-1, 3-di-(n-propyl)xanthine derivatives... aid7694.table aid7694.tbin
7695 2 Title: Imidazo[2,1-i]purin-5-ones and related tricyclic water-soluble purine derivatives: potent A(2A)- and A(3)-adenosine receptor antagonists. Abstract: A series of tricyclic imidazo[2,1-i]purinones and ring-enlarged analogues derived from xanthine derivatives have been prepared as adenosine receptor (AR) antagonists. In comparison with xanthines, the tricyclic compounds exhibit increased water solubility due to a basic nitrogen atom, which can be protonated under physiological conditions. Sub... aid7695.table aid7695.tbin
7696 5 Title: Imidazo[2,1-i]purin-5-ones and related tricyclic water-soluble purine derivatives: potent A(2A)- and A(3)-adenosine receptor antagonists. Abstract: A series of tricyclic imidazo[2,1-i]purinones and ring-enlarged analogues derived from xanthine derivatives have been prepared as adenosine receptor (AR) antagonists. In comparison with xanthines, the tricyclic compounds exhibit increased water solubility due to a basic nitrogen atom, which can be protonated under physiological conditions. Sub... aid7696.table aid7696.tbin
7697 1 Title: Imidazo[2,1-i]purin-5-ones and related tricyclic water-soluble purine derivatives: potent A(2A)- and A(3)-adenosine receptor antagonists. Abstract: A series of tricyclic imidazo[2,1-i]purinones and ring-enlarged analogues derived from xanthine derivatives have been prepared as adenosine receptor (AR) antagonists. In comparison with xanthines, the tricyclic compounds exhibit increased water solubility due to a basic nitrogen atom, which can be protonated under physiological conditions. Sub... aid7697.table aid7697.tbin
7698 19 Title: Synthesis and biological effects of novel 2-amino-3-naphthoylthiophenes as allosteric enhancers of the A1 adenosine receptor. Abstract: The current study describes the synthesis and biological evaluation of a novel series of 2-amino-3-naphthoylthiophenes, with variable modifications at the 4- and 5-position of the thiophene as well as the naphthoyl ring. Allosteric enhancer activity was measured in several ways: (1) evaluating the effect on forskolin-stimulated cAMP accumulation in the pr... aid7698.table aid7698.tbin
7699 25 Title: Synthesis and anti-HIV activity of 4'-azido- and 4'-methoxynucleosides. Abstract: A series of nucleosides were synthesized in which the 4'-hydrogen was substituted with either an azido or a methoxy group. The key steps in the syntheses of the 4'-azido analogues were the stereo- and regioselective addition of iodine azide to a 4'-unsaturated nucleoside precursor followed by an oxidatively assisted displacement of the 5'-iodo group. The 4'-methoxynucleosides were made via epoxidation of 4'-... aid7699.table aid7699.tbin
7700 8 Title: Synthesis and anti-HIV activity of 4'-azido- and 4'-methoxynucleosides. Abstract: A series of nucleosides were synthesized in which the 4'-hydrogen was substituted with either an azido or a methoxy group. The key steps in the syntheses of the 4'-azido analogues were the stereo- and regioselective addition of iodine azide to a 4'-unsaturated nucleoside precursor followed by an oxidatively assisted displacement of the 5'-iodo group. The 4'-methoxynucleosides were made via epoxidation of 4'-... aid7700.table aid7700.tbin
7701 3 Title: Induction of apoptosis by aryl-substituted diamines: role of aromatic group substituents and distance between nitrogens. Abstract: A series of aromatic substituted diamines was synthesized and characterized for their cytotoxic profiles against human breast and prostate tumor cell lines. Following a structure function analysis of the effects of changes of the benzyl substituents and the distance between amino groups the most potent analogues were analyzed biologically and were shown to ind... aid7701.table aid7701.tbin
7702 11 In vitro antitumor activity against A375 (melanoma) human tumor cell lines. aid7702.table aid7702.tbin
7703 1 Title: Nucleosides and nucleotides. 176. 2'-Deoxy-2'-hydroxylaminocytidine: a new antitumor nucleoside that inhibits DNA synthesis although it has a ribonucleoside structure. Abstract: The design and synthesis of potential antitumor antimetabolites 2'-deoxy-2'-hydroxylaminouridine (2'-DHAU) and -cytidine (2'-DHAC) are described. We found that 2'-DHAC in neutral solution generated 2'-aminoxy radicals at room temperature. 2'-DHAC inhibited the growth of L1210 and KB cells, with IC50 values of 1.58... aid7703.table aid7703.tbin
7704 21 Title: Novel antitumor 2-cyanoaziridine-1-carboxamides. Abstract: A set of 20 2-cyanoaziridine-1-carboxamides was synthesized from 2-cyanoaziridine and appropriate isocyanates. These compounds were active against a variety of solid and hematological tumor cells in culture, including strains resistant to doxorubicin and mitoxantrone. Their potencies in these assays correlated with the lipophilicity of substituents. The N-phenyl derivative was more potent and equally effective to imexon, a cyclize... aid7704.table aid7704.tbin
7705 1 Title: Nucleosides and nucleotides. 158. 1-(3-C-ethynyl-beta-D-ribo-pentofuranosyl)-cytosine, 1-(3-C-ethynyl-beta-D-ribo-pentofuranosyl)uracil, and their nucleobase analogues as new potential multifunctional antitumor nucleosides with a broad spectrum of activity. Abstract: We previously designed 1-(3-C-ethynyl-beta-D-ribo-pentofuranosyl)uracil (EUrd) as a potential multifunctional antitumor nucleoside antimetabolite. It showed a potent and broad spectrum of antitumor activity against various hu... aid7705.table aid7705.tbin
7706 1 Title: Nucleosides and nucleotides. 158. 1-(3-C-ethynyl-beta-D-ribo-pentofuranosyl)-cytosine, 1-(3-C-ethynyl-beta-D-ribo-pentofuranosyl)uracil, and their nucleobase analogues as new potential multifunctional antitumor nucleosides with a broad spectrum of activity. Abstract: We previously designed 1-(3-C-ethynyl-beta-D-ribo-pentofuranosyl)uracil (EUrd) as a potential multifunctional antitumor nucleoside antimetabolite. It showed a potent and broad spectrum of antitumor activity against various hu... aid7706.table aid7706.tbin
7707 3 Title: Nucleosides and nucleotides. 180. Synthesis and antitumor activity of nucleosides that have a hydroxylamino group instead of a hydroxyl group at the 2'- or 3'-position of the sugar moiety. Abstract: The design and synthesis of potential antitumor antimetabolites 2'-deoxy-2'-(hydroxylamino)uridine (15), -cytidine (19, 2'-DHAC), and -adenosine (35), their regioisomers, 3'-deoxy-3'-(hydroxylamino)uridine (40) and -cytidine (45, 3'-DHAC), and their 2'-deoxy analogues, 2', 3'-dideoxy-3'-(hydro... aid7707.table aid7707.tbin
7708 2 Title: Homocamptothecins: synthesis and antitumor activity of novel E-ring-modified camptothecin analogues. Abstract: Homocamptothecin (hCPT), a camptothecin (CPT) analogue with a seven membered beta-hydroxylactone which combines enhanced plasma stability and potent topoisomerase I (Topo I)-mediated activity, is an attractive template for the elaboration of new anticancer agents. Like CPT, hCPT carries an asymmetric tertiary alcohol and displays stereoselective inhibition of Topo I. The preparat... aid7708.table aid7708.tbin
7709 9 Title: Homocamptothecins: synthesis and antitumor activity of novel E-ring-modified camptothecin analogues. Abstract: Homocamptothecin (hCPT), a camptothecin (CPT) analogue with a seven membered beta-hydroxylactone which combines enhanced plasma stability and potent topoisomerase I (Topo I)-mediated activity, is an attractive template for the elaboration of new anticancer agents. Like CPT, hCPT carries an asymmetric tertiary alcohol and displays stereoselective inhibition of Topo I. The preparat... aid7709.table aid7709.tbin
7710 2 Title: Platinum(IV) complex with adamantylamine as nonleaving amine group: synthesis, characterization, and in vitro antitumor activity against a panel of cisplatin-resistant cancer cell lines. Abstract: Procedure of the synthesis is described for new platinum(IV) drug LA-12 [(OC-6-43)-bis(acetato)(1-adamantylamine)amminedichloroplatinum(IV)]. The X-ray diffraction analysis shows that the structure is created by molecules with octahedral arrangement of ligands around a platinum atom and contains... aid7710.table aid7710.tbin
7711 2 Title: Enantioselective synthesis and antiproliferative properties of an ilmofosine analog, 2'-(trimethylammonio)ethyl 3-(hexadecyloxy)-2-(methoxymethyl)propyl phosphate, on epithelial cancer cell growth. Abstract: An asymmetric synthesis of the 1-alkyloxy analog of the thioether phosphocholine ilmofosine (BM 41.440, rac-1), 2'-(trimethylammonio)ethyl 3-(hexadecyloxy)-2-(methoxymethyl)propyl phosphate (2), is described. Stereoselectivity was obtained in an asymmetric hydroboration-oxidation sequ... aid7711.table aid7711.tbin
7712 1 Title: Enantioselective synthesis and antiproliferative properties of an ilmofosine analog, 2'-(trimethylammonio)ethyl 3-(hexadecyloxy)-2-(methoxymethyl)propyl phosphate, on epithelial cancer cell growth. Abstract: An asymmetric synthesis of the 1-alkyloxy analog of the thioether phosphocholine ilmofosine (BM 41.440, rac-1), 2'-(trimethylammonio)ethyl 3-(hexadecyloxy)-2-(methoxymethyl)propyl phosphate (2), is described. Stereoselectivity was obtained in an asymmetric hydroboration-oxidation sequ... aid7712.table aid7712.tbin
7713 2 Title: Synthesis and evaluation of the antiproliferative effects of 1-O-hexadecyl-2-O-methyl-3-O-(2'-acetamido-2'-deoxy-beta-D- glucopyranosyl)-sn-glycerol and 1-O-hexadecyl-2-O-methyl-3-0- (2'-amino-2'-deoxy-beta-D-glucopyranosyl)-sn-glycerol on epithelial cancer cell growth. Abstract: Two ether glucosyl diglyceride analogs were synthesized, and their antiproliferative activity against four epithelial cancer cell lines was evaluated. 1-O-Hexadecyl-2-O-methyl-3-O-(2'-acetamido-2'-deoxy-beta-D- g... aid7713.table aid7713.tbin
7714 1 Title: Design and synthesis of a water-soluble taxol analogue: taxol-sialyl conjugate. Abstract: Glycosidation, using the methylthio derivative of N-acetylneuraminic acid 3, of linker alcohol 4 in DME with &quot;long-range participation&quot; produced the alpha-glycosyl linkage with high stereoselectivity. The alpha-linked sialic acid 2 was introduced in taxol without protection of the alcohol functionality in sialic acid. aid7714.table aid7714.tbin
7715 1 Title: Design and synthesis of a water-soluble taxol analogue: taxol-sialyl conjugate. Abstract: Glycosidation, using the methylthio derivative of N-acetylneuraminic acid 3, of linker alcohol 4 in DME with &quot;long-range participation&quot; produced the alpha-glycosyl linkage with high stereoselectivity. The alpha-linked sialic acid 2 was introduced in taxol without protection of the alcohol functionality in sialic acid. aid7715.table aid7715.tbin
7716 1 Title: Discovery, SAR, synthesis, pharmacokinetic and biochemical characterization of A-192411: a novel fungicidal lipopeptide-(I). Abstract: The echinocandin class of cyclic lipopeptides has been simplified to discover potent antifungal compounds. Namely A-192411 shows good in vitro activity against common pathogenic yeasts and has an acceptable safety window in vivo. Discovery, limited SAR, synthesis, biochemical and pharmaco-dynamic profiles of A-192411 are presented. aid7716.table aid7716.tbin
7717 1 Title: BMS-196085: a potent and selective full agonist of the human beta(3) adrenergic receptor. Abstract: A series of 4-hydroxy-3-methylsulfonanilido-1,2-diarylethylamines were prepared and evaluated for their human beta(3) adrenergic receptor agonist activity. SAR studies led to the identification of BMS-196085 (25), a potent beta(3) full agonist (K(i)=21 nM, 95% activation) with partial agonist (45%) activity at the beta(1) receptor. Based on its desirable in vitro and in vivo properties, BMS... aid7717.table aid7717.tbin
7718 1 Title: 3-(2-aminoalkyl)-1-(2,6-difluorobenzyl)-5- (2-fluoro-3-methoxyphenyl)-6-methyl-uracils as orally bioavailable antagonists of the human gonadotropin releasing hormone receptor. Abstract: Uracils possessing N-3 side chains derived from various amino alcohols were designed and synthesized as potent human gonadotropin releasing hormone receptor antagonists. The compounds herein presented displayed superior metabolic stability than their predecessor molecules. Selected compounds from this seri... aid7718.table aid7718.tbin
7719 1 Title: Substituted 3-amino biaryl propionic acids as potent VLA-4 antagonists. Abstract: A series of substituted N-(3,5-dichlorobenzenesulfonyl)-(L)-prolyl- and (L)-azetidyl-beta-biaryl beta-alanine derivatives was prepared as selective and potent VLA-4 antagonists. The 2,6-dioxygenated biaryl substitution pattern is important for optimizing potency. Oral bioavailability was variable and may be a result of binding to circulating plasma proteins. aid7719.table aid7719.tbin
7720 1 Title: Substituted 3-amino biaryl propionic acids as potent VLA-4 antagonists. Abstract: A series of substituted N-(3,5-dichlorobenzenesulfonyl)-(L)-prolyl- and (L)-azetidyl-beta-biaryl beta-alanine derivatives was prepared as selective and potent VLA-4 antagonists. The 2,6-dioxygenated biaryl substitution pattern is important for optimizing potency. Oral bioavailability was variable and may be a result of binding to circulating plasma proteins. aid7720.table aid7720.tbin
7721 1 Title: Sulphonamide-based small molecule VLA-4 antagonists. Abstract: The discovery of a sulphonamide by-product with VLA-4 antagonistic activity led to a series of potent, small molecule VLA-4 antagonists. Synthesis, SAR and in vivo evaluation of the selected compound will be presented. aid7721.table aid7721.tbin
7722 3 Title: Anti-HIV-1 activities and pharmacokinetics of new arylpiperazinyl fluoroquinolones. Abstract: Anti-HIV-1 activities and pharmacokinetics of a series of novel arylpiperazinyl fluoroquinolones are reported. Modification at the C-8 position with a trifluoromethyl group was superior to that with a difluoromethoxy group to achieve higher anti-HIV-1 activity. Two compounds studied exhibited quite high anti-HIV-1 activities (IC(50)&lt;50 nM) in vitro and high bioavailabilities (BA&gt;90%) in mon... aid7722.table aid7722.tbin
7723 1 Title: Anti-HIV-1 activities and pharmacokinetics of new arylpiperazinyl fluoroquinolones. Abstract: Anti-HIV-1 activities and pharmacokinetics of a series of novel arylpiperazinyl fluoroquinolones are reported. Modification at the C-8 position with a trifluoromethyl group was superior to that with a difluoromethoxy group to achieve higher anti-HIV-1 activity. Two compounds studied exhibited quite high anti-HIV-1 activities (IC(50)&lt;50 nM) in vitro and high bioavailabilities (BA&gt;90%) in mon... aid7723.table aid7723.tbin
7724 2 Title: Anti-HIV-1 activities and pharmacokinetics of new arylpiperazinyl fluoroquinolones. Abstract: Anti-HIV-1 activities and pharmacokinetics of a series of novel arylpiperazinyl fluoroquinolones are reported. Modification at the C-8 position with a trifluoromethyl group was superior to that with a difluoromethoxy group to achieve higher anti-HIV-1 activity. Two compounds studied exhibited quite high anti-HIV-1 activities (IC(50)&lt;50 nM) in vitro and high bioavailabilities (BA&gt;90%) in mon... aid7724.table aid7724.tbin
7725 1 Title: p38 Inhibitors: piperidine- and 4-aminopiperidine-substituted naphthyridinones, quinolinones, and dihydroquinazolinones. Abstract: We have synthesized a series of C7-piperidine- and 4-aminopiperidine-substituted naphthyridinones, quinolinones, and dihydroquinazolinones that are highly potent inhibitors of both p38MAP kinase activity and TNF-alpha release. The 4-aminopentamethylpiperidine naphthyridinone 5, which was designed to block metabolism at major 'hot spots', combined excellent inh... aid7725.table aid7725.tbin
7726 2 Title: 1,3,4-Trisubstituted pyrrolidine CCR5 receptor antagonists. Part 4: synthesis of N-1 acidic functionality affording analogues with enhanced antiviral activity against HIV. Abstract: A series of alpha-(pyrrolidin-1-yl)acetic acids is presented as selective and potent antivirals against HIV. Several of the pyrrolidine zwitterions demonstrated reasonable in vitro properties, enhanced antiviral activities and improved pharmacokinetic profiles over pyrrolidine 1. aid7726.table aid7726.tbin
7727 4 Title: Novel CCR1 antagonists with improved metabolic stability. Abstract: The synthesis, biological activity, and pharmacokinetic profile of novel CCR1 antagonists are described. aid7727.table aid7727.tbin
7728 1 Title: Substituted N-(3,5-dichlorobenzenesulfonyl)-L-prolyl-phenylalanine analogues as potent VLA-4 antagonists. Abstract: A series of substituted N-(3,5-dichlorobenzenesulfonyl)-L-prolyl- and alpha-methyl-L-prolyl-phenylalanine derivatives was prepared as VLA-4/VCAM antagonists. The compounds showed excellent potency with a wide variety of neutral, polar, electron withdrawing or donating groups on the phenylalanine ring (IC50 approximately 1 nM). Heteroaryl ring substitution for phenylalanine w... aid7728.table aid7728.tbin
7729 1 Title: Substituted N-(3,5-dichlorobenzenesulfonyl)-L-prolyl-phenylalanine analogues as potent VLA-4 antagonists. Abstract: A series of substituted N-(3,5-dichlorobenzenesulfonyl)-L-prolyl- and alpha-methyl-L-prolyl-phenylalanine derivatives was prepared as VLA-4/VCAM antagonists. The compounds showed excellent potency with a wide variety of neutral, polar, electron withdrawing or donating groups on the phenylalanine ring (IC50 approximately 1 nM). Heteroaryl ring substitution for phenylalanine w... aid7729.table aid7729.tbin
7730 1 Title: Antagonists of human CCR5 receptor containing 4-(pyrazolyl)piperidine side chains. Part 2: Discovery of potent, selective, and orally bioavailable compounds. Abstract: Modifications of the alkyl acetic acid portion and the phenyl on pyrrolidine in our lead pyrazole compound 1 afforded the isopropyl compound 9. This compound is a potent CCR5 antagonist showing good in vitro antiviral activity against HIV-1, an excellent selectivity profile, and good oral bioavailability in three animal spe... aid7730.table aid7730.tbin
7731 1 Title: Endothelin antagonists: discovery of EMD 122946, a highly potent and orally active ETA selective antagonist. Abstract: The discovery, in vitro and in vivo studies of the highly potent ETA antagonist EMD 122946 are presented. This compound displayed high binding affinity and functional antagonism [IC50 = 3.2 x 10(-11) M, pA2 = 9.5 (ETA)] and inhibited the ET-1 induced pressor response in pithed rats with an ED50 of 0.3 mg/kg. In conscious spontaneously hypertensive rats and in DOCA-salt hy... aid7731.table aid7731.tbin
7732 2 Title: Optimization of the indolyl quinolinone class of KDR (VEGFR-2) kinase inhibitors: effects of 5-amido- and 5-sulphonamido-indolyl groups on pharmacokinetics and hERG binding. Abstract: Modifications to the basic side-chain of early lead structures of the indolyl quinolinone class of KDR kinase inhibitors resulted in improved pharmacokinetic and ancillary profiles. Specifically, compounds bearing 5-amido- and 5-sulphonamido-indolyl substituents exhibited lower plasma clearance and weaker bi... aid7732.table aid7732.tbin
7733 1 Title: Molecular design and structure--activity relationships leading to the potent, selective, and orally active thrombin active site inhibitor BMS-189664. Abstract: A series of structurally novel small molecule inhibitors of human alpha-thrombin was prepared to elucidate their structure-activity relationships (SARs), selectivity and activity in vivo. BMS-189664 (3) is identified as a potent, selective, and orally active reversible inhibitor of human alpha-thrombin which is efficacious in vivo ... aid7733.table aid7733.tbin
7734 1 Title: Discovery, SAR, synthesis, pharmacokinetic and biochemical characterization of A-192411: a novel fungicidal lipopeptide-(I). Abstract: The echinocandin class of cyclic lipopeptides has been simplified to discover potent antifungal compounds. Namely A-192411 shows good in vitro activity against common pathogenic yeasts and has an acceptable safety window in vivo. Discovery, limited SAR, synthesis, biochemical and pharmaco-dynamic profiles of A-192411 are presented. aid7734.table aid7734.tbin
7735 2 Title: Dicationic 2-fluorenonylcarbapenems: potent anti-MRS agents with improved solubility and pharmacokinetic properties. Abstract: The synthesis and biological evaluation of a series of dicationic-substituted 2-fluorenonylcarbapenems is described. This class of compounds showed enhanced water solubility while maintaining potent activity against MRS. Introduction of a 1-beta-methyl substituent was found to improve pharmacokinetics. aid7735.table aid7735.tbin
7736 1 Title: BMS-196085: a potent and selective full agonist of the human beta(3) adrenergic receptor. Abstract: A series of 4-hydroxy-3-methylsulfonanilido-1,2-diarylethylamines were prepared and evaluated for their human beta(3) adrenergic receptor agonist activity. SAR studies led to the identification of BMS-196085 (25), a potent beta(3) full agonist (K(i)=21 nM, 95% activation) with partial agonist (45%) activity at the beta(1) receptor. Based on its desirable in vitro and in vivo properties, BMS... aid7736.table aid7736.tbin
7737 1 Title: Molecular design and structure--activity relationships leading to the potent, selective, and orally active thrombin active site inhibitor BMS-189664. Abstract: A series of structurally novel small molecule inhibitors of human alpha-thrombin was prepared to elucidate their structure-activity relationships (SARs), selectivity and activity in vivo. BMS-189664 (3) is identified as a potent, selective, and orally active reversible inhibitor of human alpha-thrombin which is efficacious in vivo ... aid7737.table aid7737.tbin
7738 3 Title: Synthesis of carbon-11 labeled iodinated cocaine derivatives and their distribution in baboon brain measured using positron emission tomography. Abstract: Three iodine-substituted derivatives of cocaine, methyl esters of 3-[(2'-, 3'-, and 4'-iodobenzoyl)oxy]-8-methyl-[1R-(exo,exo)]-8- azabicyclo[3.2.1]octane-2 carboxylic acid (2a-c), were synthesized and subjected to N-demethylation to give the corresponding noriodococaines 3-[(2'-,3'-, and 4'-iodobenzoyl)oxy]-[1R-(exo,exo)]-8- azabicyclo... aid7738.table aid7738.tbin
7739 1 Title: p38 Inhibitors: piperidine- and 4-aminopiperidine-substituted naphthyridinones, quinolinones, and dihydroquinazolinones. Abstract: We have synthesized a series of C7-piperidine- and 4-aminopiperidine-substituted naphthyridinones, quinolinones, and dihydroquinazolinones that are highly potent inhibitors of both p38MAP kinase activity and TNF-alpha release. The 4-aminopentamethylpiperidine naphthyridinone 5, which was designed to block metabolism at major 'hot spots', combined excellent inh... aid7739.table aid7739.tbin
7740 1 Title: p38 Inhibitors: piperidine- and 4-aminopiperidine-substituted naphthyridinones, quinolinones, and dihydroquinazolinones. Abstract: We have synthesized a series of C7-piperidine- and 4-aminopiperidine-substituted naphthyridinones, quinolinones, and dihydroquinazolinones that are highly potent inhibitors of both p38MAP kinase activity and TNF-alpha release. The 4-aminopentamethylpiperidine naphthyridinone 5, which was designed to block metabolism at major 'hot spots', combined excellent inh... aid7740.table aid7740.tbin
7741 1 Title: (2R)-2-ethylchromane-2-carboxylic acids: discovery of novel PPARalpha/gamma dual agonists as antihyperglycemic and hypolipidemic agents. Abstract: A series of chromane-2-carboxylic acid derivatives was synthesized and evaluated for PPAR agonist activities. A structure-activity relationship was developed toward PPARalpha/gamma dual agonism. As a result, (2R)-7-(3-[2-chloro-4-(4-fluorophenoxy)phenoxy]propoxy)-2-ethylchromane-2-carboxylic acid (48) was identified as a potent, structurally no... aid7741.table aid7741.tbin
7742 2 Title: Synthesis and biological evaluation of 2-indolyloxazolines as a new class of tubulin polymerization inhibitors. Discovery of A-289099 as an orally active antitumor agent. Abstract: A series of indole containing oxazolines has been discovered as a result of structural modifications of the lead compound A-105972. The compounds exert their anticancer activity through inhibition of tubulin polymerization by binding at the colchicine site. A-289099 was identified as an orally active antimitoti... aid7742.table aid7742.tbin
7743 8 Title: Discovery and characterization of the potent, selective and orally bioavailable MMP inhibitor ABT-770. Abstract: Modification of the biphenyl portion of MMP inhibitor 2a gave analogue 2i which is greater than 1000-fold selective against MMP-2 versus MMP-1. The stereospecific synthesis of both enantiomers of 2i was achieved beginning with (S)- or (R)-benzyl glycidyl ether. The (S)-enantiomer, 11 (ABT-770), is orally bioavailable and efficacious in an in vivo model of tumor growth. aid7743.table aid7743.tbin
7744 2 Title: Discovery and characterization of the potent, selective and orally bioavailable MMP inhibitor ABT-770. Abstract: Modification of the biphenyl portion of MMP inhibitor 2a gave analogue 2i which is greater than 1000-fold selective against MMP-2 versus MMP-1. The stereospecific synthesis of both enantiomers of 2i was achieved beginning with (S)- or (R)-benzyl glycidyl ether. The (S)-enantiomer, 11 (ABT-770), is orally bioavailable and efficacious in an in vivo model of tumor growth. aid7744.table aid7744.tbin
7745 1 Title: Orally active fibrinogen receptor antagonists. 2. Amidoximes as prodrugs of amidines. Abstract: The potent and selective GP IIb-IIIa antagonist lamifiban (1, Ro 44-9883) is currently in clinical development as an injectable antithrombotic agent for treating and preventing acute coronary syndromes. However, for secondary prevention of thrombotic occlusions, orally active inhibitors are needed. By means of a prodrug strategy, the modest oral absorption of 1 in mice was improved by a factor ... aid7745.table aid7745.tbin
7746 1 Title: Identification of a novel, orally bioavailable histamine H(3) receptor antagonist based on the 4-benzyl-(1H-imidazol-4-yl) template. Abstract: A novel series of histamine H(3) receptor antagonists, based on the 4-benzyl-(1H-imidazole-4-yl) template, incorporating urea and carbamate linkers has been prepared. Compound 3j is a selective H(3) antagonist and demonstrates excellent oral plasma levels in the rat and monkey. aid7746.table aid7746.tbin
7747 1 Title: Endothelin antagonists: discovery of EMD 122946, a highly potent and orally active ETA selective antagonist. Abstract: The discovery, in vitro and in vivo studies of the highly potent ETA antagonist EMD 122946 are presented. This compound displayed high binding affinity and functional antagonism [IC50 = 3.2 x 10(-11) M, pA2 = 9.5 (ETA)] and inhibited the ET-1 induced pressor response in pithed rats with an ED50 of 0.3 mg/kg. In conscious spontaneously hypertensive rats and in DOCA-salt hy... aid7747.table aid7747.tbin
7748 2 Title: Discovery of CP-199,330 and CP-199,331: two potent and orally efficacious cysteinyl LT1 receptor antagonists devoid of liver toxicity. Abstract: CP-199,330 (3) and CP-199,331 (4) are cysLT1 receptor antagonists that are equipotent to marketed cysLT1 receptor antagonists zafirlukast and pranlukast, show good pharmacokinetics in rats and monkeys, and are devoid of liver toxicity in monkeys as seen in CP-85,958 (1). aid7748.table aid7748.tbin
7749 1 Title: L-374,087, an efficacious, orally bioavailable, pyridinone acetamide thrombin inhibitor. Abstract: Replacement of the amidinopiperidine P1 group of 3-benzylsulfonylamino-6-methyl-2-pyridinone acetamide thrombin inhibitor L-373,890 (2) with a mildly basic 5-linked 2-amino-6-methylpyridine results in an equipotent compound L-374,087 (5, Ki = 0.5 nM). Compound 5 is highly selective for thrombin over trypsin, is efficacious in the rat ferric chloride model of arterial thrombosis and is orally... aid7749.table aid7749.tbin
7750 2 Title: Substituted 3-amino biaryl propionic acids as potent VLA-4 antagonists. Abstract: A series of substituted N-(3,5-dichlorobenzenesulfonyl)-(L)-prolyl- and (L)-azetidyl-beta-biaryl beta-alanine derivatives was prepared as selective and potent VLA-4 antagonists. The 2,6-dioxygenated biaryl substitution pattern is important for optimizing potency. Oral bioavailability was variable and may be a result of binding to circulating plasma proteins. aid7750.table aid7750.tbin
7751 2 Title: Discovery of L-791,943: a potent, selective, non emetic and orally active phosphodiesterase-4 inhibitor. Abstract: Structure-activity relationship studies directed toward improving the potency and metabolic stability of CDP-840 (3) resulted in the discovery of L-791,943 (11n) as a potent (HWB TNF-alpha = 0.67 microM) and orally active phosphodiesterase type 4 (PDE4) inhibitor. This compound, which bears a stable bis-difluoromethoxy catechol and a pendant hexafluorocarbinol, exhibited a lo... aid7751.table aid7751.tbin
7752 5 Title: Biaryl ether retrohydroxamates as potent, long-lived, orally bioavailable MMP inhibitors. Abstract: A novel series of biaryl ether reverse hydroxamate MMP inhibitors has been developed. These compounds are potent MMP-2 inhibitors with limited activity against MMP-1. Select members of this series exhibit excellent pharmacokinetic properties with long elimination half-lives (7 h) and high oral bioavailability (100%). aid7752.table aid7752.tbin
7753 2 Title: Optimization of the indolyl quinolinone class of KDR (VEGFR-2) kinase inhibitors: effects of 5-amido- and 5-sulphonamido-indolyl groups on pharmacokinetics and hERG binding. Abstract: Modifications to the basic side-chain of early lead structures of the indolyl quinolinone class of KDR kinase inhibitors resulted in improved pharmacokinetic and ancillary profiles. Specifically, compounds bearing 5-amido- and 5-sulphonamido-indolyl substituents exhibited lower plasma clearance and weaker bi... aid7753.table aid7753.tbin
7754 1 Title: p38 Inhibitors: piperidine- and 4-aminopiperidine-substituted naphthyridinones, quinolinones, and dihydroquinazolinones. Abstract: We have synthesized a series of C7-piperidine- and 4-aminopiperidine-substituted naphthyridinones, quinolinones, and dihydroquinazolinones that are highly potent inhibitors of both p38MAP kinase activity and TNF-alpha release. The 4-aminopentamethylpiperidine naphthyridinone 5, which was designed to block metabolism at major 'hot spots', combined excellent inh... aid7754.table aid7754.tbin
7755 1 Title: 3-(2-aminoalkyl)-1-(2,6-difluorobenzyl)-5- (2-fluoro-3-methoxyphenyl)-6-methyl-uracils as orally bioavailable antagonists of the human gonadotropin releasing hormone receptor. Abstract: Uracils possessing N-3 side chains derived from various amino alcohols were designed and synthesized as potent human gonadotropin releasing hormone receptor antagonists. The compounds herein presented displayed superior metabolic stability than their predecessor molecules. Selected compounds from this seri... aid7755.table aid7755.tbin
7756 1 Title: Antagonists of human CCR5 receptor containing 4-(pyrazolyl)piperidine side chains. Part 2: Discovery of potent, selective, and orally bioavailable compounds. Abstract: Modifications of the alkyl acetic acid portion and the phenyl on pyrrolidine in our lead pyrazole compound 1 afforded the isopropyl compound 9. This compound is a potent CCR5 antagonist showing good in vitro antiviral activity against HIV-1, an excellent selectivity profile, and good oral bioavailability in three animal spe... aid7756.table aid7756.tbin
7757 2 Title: 1,3,4-Trisubstituted pyrrolidine CCR5 receptor antagonists: modifications of the arylpropylpiperidine side chains. Abstract: The 4-(3-phenylprop-1-yl)piperidine moiety of the 1,3,4-trisubstituted pyrrolidine CCR5 antagonist 1 was modified with electron deficient aromatics as well as replacement of the benzylic methylene with sulfones, gem-difluoromethylenes and alcohols in an effort to balance the antiviral potency with reasonable pharmacokinetics. aid7757.table aid7757.tbin
7758 1 Title: Synthesis and SAR of aminoalkoxy-biaryl-4-carboxamides: novel and selective histamine H3 receptor antagonists. Abstract: Novel 4'-[(NR1R2-1-yl)]-propoxy-biaryl-4-carboxamides were designed and synthesized. All compounds were tested for affinity at histamine H(3)receptors. Most compounds were highly potent and selective for human and rat H(3) receptors and selected examples such as A-349821 showed functional antagonism of H(3) receptors in vitro and in a mouse dipsogenia model. aid7758.table aid7758.tbin
7759 1 Title: HIV protease inhibitors with picomolar potency against PI-Resistant HIV-1 by extension of the P3 substituent. Abstract: A biaryl pyridylfuran P(3) substituent on the hydroxyethylene isostere scaffold affords HIV protease inhibitors (PI's) with picomolar (IC(50)) potency against the protease enzymes from PI-resistant HIV-1 strains. Inclusion of a gem-dimethyl substituent afforded compound 3 with 100% oral bioavailability (dogs) and more than double the t(1/2) of indinavir. Inhibition of mu... aid7759.table aid7759.tbin
7760 1 Title: Molecular design and structure--activity relationships leading to the potent, selective, and orally active thrombin active site inhibitor BMS-189664. Abstract: A series of structurally novel small molecule inhibitors of human alpha-thrombin was prepared to elucidate their structure-activity relationships (SARs), selectivity and activity in vivo. BMS-189664 (3) is identified as a potent, selective, and orally active reversible inhibitor of human alpha-thrombin which is efficacious in vivo ... aid7760.table aid7760.tbin
7761 1 Title: N-isonicotinoyl-(L)-4-aminophenylalanine derivatives as tight binding VLA-4 antagonists. Abstract: A series of isonicotinoyl-(L)-aminophenylalanine derivatives was prepared and evaluated as VLA-4 antagonists. These compounds exhibit subnanomolar binding affinity to VLA-4 and significant off-rates. The interplay between off-rate, protein binding and pharmacokinetics is discussed. aid7761.table aid7761.tbin
7762 1 Title: Substituted 2-pyridinemethanol derivatives as potent and selective phosphodiesterase-4 inhibitors. Abstract: The synthesis and the phosphodiesterase-4 (PDE4) inhibitory activity of 2-pyridinemethanol derivatives is described. The evaluation of the structure-activity relationship (SAR) in this series of novel PDE4 inhibitors led to the identification of compound 9 which exhibits excellent in vitro activity, desirable pharmacokinetic parameters and good efficacy in animal models of bronchoc... aid7762.table aid7762.tbin
7763 1 Title: Piperazine-based CCR5 antagonists as HIV-1 inhibitors. III: synthesis, antiviral and pharmacokinetic profiles of symmetrical heteroaryl carboxamides. Abstract: The unsymmetrical nicotinamide-N-oxide moiety in compound 1 was replaced with symmetrical isonicotinamides as well as 4,6-dimethyl pyrimidine-5-carboxamides. Compound 16 from the latter set reduced the number of rotamers, improved potency of inhibiting UIV entry, slightly diminished the affinity for the muscarine receptors and show... aid7763.table aid7763.tbin
7764 2 Title: Substituted 4-(2,2-diphenylethyl)pyridine-N-oxides as phosphodiesterase-4 inhibitors: SAR study directed toward the improvement of pharmacokinetic parameters. Abstract: A detailed SAR study directed toward the optimization of pharmacokinetic parameters for analogues of L-791,943 is reported. The introduction of a soft metabolic site on this structure permitted the identification of L-826,141 as a potent phosphodiesterase type 4 (PDE4) inhibitor that is well absorbed and that presents a sh... aid7764.table aid7764.tbin
7765 2 Title: 1,3,4-Trisubstituted pyrrolidine CCR5 receptor antagonists. Part 4: synthesis of N-1 acidic functionality affording analogues with enhanced antiviral activity against HIV. Abstract: A series of alpha-(pyrrolidin-1-yl)acetic acids is presented as selective and potent antivirals against HIV. Several of the pyrrolidine zwitterions demonstrated reasonable in vitro properties, enhanced antiviral activities and improved pharmacokinetic profiles over pyrrolidine 1. aid7765.table aid7765.tbin
7766 1 Title: Discovery, SAR, synthesis, pharmacokinetic and biochemical characterization of A-192411: a novel fungicidal lipopeptide-(I). Abstract: The echinocandin class of cyclic lipopeptides has been simplified to discover potent antifungal compounds. Namely A-192411 shows good in vitro activity against common pathogenic yeasts and has an acceptable safety window in vivo. Discovery, limited SAR, synthesis, biochemical and pharmaco-dynamic profiles of A-192411 are presented. aid7766.table aid7766.tbin
7767 3 Title: Anti-HIV-1 activities and pharmacokinetics of new arylpiperazinyl fluoroquinolones. Abstract: Anti-HIV-1 activities and pharmacokinetics of a series of novel arylpiperazinyl fluoroquinolones are reported. Modification at the C-8 position with a trifluoromethyl group was superior to that with a difluoromethoxy group to achieve higher anti-HIV-1 activity. Two compounds studied exhibited quite high anti-HIV-1 activities (IC(50)&lt;50 nM) in vitro and high bioavailabilities (BA&gt;90%) in mon... aid7767.table aid7767.tbin
7768 2 Title: Anti-HIV-1 activities and pharmacokinetics of new arylpiperazinyl fluoroquinolones. Abstract: Anti-HIV-1 activities and pharmacokinetics of a series of novel arylpiperazinyl fluoroquinolones are reported. Modification at the C-8 position with a trifluoromethyl group was superior to that with a difluoromethoxy group to achieve higher anti-HIV-1 activity. Two compounds studied exhibited quite high anti-HIV-1 activities (IC(50)&lt;50 nM) in vitro and high bioavailabilities (BA&gt;90%) in mon... aid7768.table aid7768.tbin
7769 1 Title: Anti-HIV-1 activities and pharmacokinetics of new arylpiperazinyl fluoroquinolones. Abstract: Anti-HIV-1 activities and pharmacokinetics of a series of novel arylpiperazinyl fluoroquinolones are reported. Modification at the C-8 position with a trifluoromethyl group was superior to that with a difluoromethoxy group to achieve higher anti-HIV-1 activity. Two compounds studied exhibited quite high anti-HIV-1 activities (IC(50)&lt;50 nM) in vitro and high bioavailabilities (BA&gt;90%) in mon... aid7769.table aid7769.tbin
7770 5 Title: Stereospecific synthesis of chiral metabolites of ifosfamide and their determination in the urine. Abstract: The stereospecific synthesis of two chiral metabolites of ifosfamide (2), 4-ketoifosfamide (5) and 2-amino-3-(2-chloroethyl)tetrahydro-2H-1,3, 2-oxazaphosphorine 2-oxide (9), is reported. The absolute configuration of both compounds was assigned on the basis of chemical correlation. In addition, two other achiral metabolites of 2, carboxyifosfamide (6) and IPAM (7), were synthesize... aid7770.table aid7770.tbin
7771 5 Title: Stereospecific synthesis of chiral metabolites of ifosfamide and their determination in the urine. Abstract: The stereospecific synthesis of two chiral metabolites of ifosfamide (2), 4-ketoifosfamide (5) and 2-amino-3-(2-chloroethyl)tetrahydro-2H-1,3, 2-oxazaphosphorine 2-oxide (9), is reported. The absolute configuration of both compounds was assigned on the basis of chemical correlation. In addition, two other achiral metabolites of 2, carboxyifosfamide (6) and IPAM (7), were synthesize... aid7771.table aid7771.tbin
7772 5 Title: Stereospecific synthesis of chiral metabolites of ifosfamide and their determination in the urine. Abstract: The stereospecific synthesis of two chiral metabolites of ifosfamide (2), 4-ketoifosfamide (5) and 2-amino-3-(2-chloroethyl)tetrahydro-2H-1,3, 2-oxazaphosphorine 2-oxide (9), is reported. The absolute configuration of both compounds was assigned on the basis of chemical correlation. In addition, two other achiral metabolites of 2, carboxyifosfamide (6) and IPAM (7), were synthesize... aid7772.table aid7772.tbin
7773 5 Title: Stereospecific synthesis of chiral metabolites of ifosfamide and their determination in the urine. Abstract: The stereospecific synthesis of two chiral metabolites of ifosfamide (2), 4-ketoifosfamide (5) and 2-amino-3-(2-chloroethyl)tetrahydro-2H-1,3, 2-oxazaphosphorine 2-oxide (9), is reported. The absolute configuration of both compounds was assigned on the basis of chemical correlation. In addition, two other achiral metabolites of 2, carboxyifosfamide (6) and IPAM (7), were synthesize... aid7773.table aid7773.tbin
7774 3 Title: Stereospecific synthesis of chiral metabolites of ifosfamide and their determination in the urine. Abstract: The stereospecific synthesis of two chiral metabolites of ifosfamide (2), 4-ketoifosfamide (5) and 2-amino-3-(2-chloroethyl)tetrahydro-2H-1,3, 2-oxazaphosphorine 2-oxide (9), is reported. The absolute configuration of both compounds was assigned on the basis of chemical correlation. In addition, two other achiral metabolites of 2, carboxyifosfamide (6) and IPAM (7), were synthesize... aid7774.table aid7774.tbin
7775 3 Title: Stereospecific synthesis of chiral metabolites of ifosfamide and their determination in the urine. Abstract: The stereospecific synthesis of two chiral metabolites of ifosfamide (2), 4-ketoifosfamide (5) and 2-amino-3-(2-chloroethyl)tetrahydro-2H-1,3, 2-oxazaphosphorine 2-oxide (9), is reported. The absolute configuration of both compounds was assigned on the basis of chemical correlation. In addition, two other achiral metabolites of 2, carboxyifosfamide (6) and IPAM (7), were synthesize... aid7775.table aid7775.tbin
7776 3 Title: Stereospecific synthesis of chiral metabolites of ifosfamide and their determination in the urine. Abstract: The stereospecific synthesis of two chiral metabolites of ifosfamide (2), 4-ketoifosfamide (5) and 2-amino-3-(2-chloroethyl)tetrahydro-2H-1,3, 2-oxazaphosphorine 2-oxide (9), is reported. The absolute configuration of both compounds was assigned on the basis of chemical correlation. In addition, two other achiral metabolites of 2, carboxyifosfamide (6) and IPAM (7), were synthesize... aid7776.table aid7776.tbin
7777 3 Title: Stereospecific synthesis of chiral metabolites of ifosfamide and their determination in the urine. Abstract: The stereospecific synthesis of two chiral metabolites of ifosfamide (2), 4-ketoifosfamide (5) and 2-amino-3-(2-chloroethyl)tetrahydro-2H-1,3, 2-oxazaphosphorine 2-oxide (9), is reported. The absolute configuration of both compounds was assigned on the basis of chemical correlation. In addition, two other achiral metabolites of 2, carboxyifosfamide (6) and IPAM (7), were synthesize... aid7777.table aid7777.tbin
7778 1 Bioavailability was evaluated in man at a dose of 10 mg/kg after po administration; not determined aid7778.table aid7778.tbin
7779 8 Title: Graphical model for estimating oral bioavailability of drugs in humans and other species from their Caco-2 permeability and in vitro liver enzyme metabolic stability rates. Abstract: This paper describes a graphical model for simplifying in vitro absorption, metabolism, distribution, and elimination (ADME) data analysis through the estimation of oral bioavailability (%F) of drugs in humans and other species. This model integrates existing in vitro ADME data, such as Caco-2 permeability (P... aid7779.table aid7779.tbin
7780 6 Title: Structure-based design, synthesis, and biological evaluation of irreversible human rhinovirus 3C protease inhibitors. 8. Pharmacological optimization of orally bioavailable 2-pyridone-containing peptidomimetics. Abstract: The optimization of the pharmacokinetic performance of various 2-pyridone-containing human rhinovirus (HRV) 3C protease (3CP) inhibitors following oral administration to either beagle dogs or CM-monkeys is described. The molecules described in this work are composed of a... aid7780.table aid7780.tbin
7781 3 Title: Structure-based design, synthesis, and biological evaluation of irreversible human rhinovirus 3C protease inhibitors. 8. Pharmacological optimization of orally bioavailable 2-pyridone-containing peptidomimetics. Abstract: The optimization of the pharmacokinetic performance of various 2-pyridone-containing human rhinovirus (HRV) 3C protease (3CP) inhibitors following oral administration to either beagle dogs or CM-monkeys is described. The molecules described in this work are composed of a... aid7781.table aid7781.tbin
7782 11 Title: 3-amino-4-sulfonylpyridinone acetamide and related pyridothiadiazine thrombin inhibitors. Abstract: We describe a series of highly potent and efficacious thrombin inhibitors based on a 3-amino-4-sulfonylpyridinone acetamide template. The functionally dense sulfonyl group stabilizes the aminopyridinone, conformationally constrains the 4-substituent, and forms a hydrogen bond to the insertion loop tyrosine OH. We also describe a related series of fused bicyclic dihydrothiadiazinedioxide der... aid7782.table aid7782.tbin
7783 123 Title: Prediction of human volume of distribution values for neutral and basic drugs. 2. Extended data set and leave-class-out statistics. Abstract: We present an extension and confirmation of our previously published method (J. Med. Chem. 2002, 45, 2867-2876) for the prediction of volume of distribution (VD) in humans for neutral and basic compounds. It is based on two experimentally determined physicochemical parameters, ElogD(7.4) and f(i(7.4)), the latter being the fraction of compound ioniz... aid7783.table aid7783.tbin
7784 3 Title: Uncharged AZT and D4T derivatives of phosphonoformic and phosphonoacetic acids as anti-HIV pronucleosides. Abstract: Two series of new lipophilic phosphonoformate and phosphonoacetate derivatives of AZT and d4T were synthesized and evaluated as anti-HIV agents. The efficacy of some of the synthesized compounds in cell cultures infected with HIV-1 was higher than that of the parent nucleosides and only slightly correlated to their stability in the phosphate buffer and human blood serum. Th... aid7784.table aid7784.tbin
7785 10 Title: Sulfonyl-containing aldophosphamide analogues as novel anticancer prodrugs targeted against cyclophosphamide-resistant tumor cell lines. Abstract: A series of sulfonyl-group containing analogues of aldophosphamide (Aldo) were synthesized as potential anticancer prodrugs that liberate the cytotoxic phosphoramide mustards (PM, IPM, and tetrakis-PM) via beta-elimination, a nonenzymatic activation mechanism. Kinetic studies demonstrated that all these compounds spontaneously liberate phosphor... aid7785.table aid7785.tbin
7786 1 Title: Sulfonyl-containing aldophosphamide analogues as novel anticancer prodrugs targeted against cyclophosphamide-resistant tumor cell lines. Abstract: A series of sulfonyl-group containing analogues of aldophosphamide (Aldo) were synthesized as potential anticancer prodrugs that liberate the cytotoxic phosphoramide mustards (PM, IPM, and tetrakis-PM) via beta-elimination, a nonenzymatic activation mechanism. Kinetic studies demonstrated that all these compounds spontaneously liberate phosphor... aid7786.table aid7786.tbin
7787 1 Title: Arecoline tripeptide inhibitors of proteasome. Abstract: The 26S proteasome is a multicatalytic protease complex that plays an essential role in intracellular protein degradation. We have synthesized and tested a series of arecoline peptide derivatives where the peptide portion derives from a screening of tripeptide sequences, and the arecoline moiety has been considered as a potential substrate for catalytic threonine. Derivatives 17-19 are the best compounds of the series, showing chymo... aid7787.table aid7787.tbin
7788 13 Title: Preparation and biological activity of amino acid and peptide conjugates of antitumor hydroxymethylacylfulvene. Abstract: The primary hydroxyl group in hydroxymethylacylfulvene, a potent antitumor drug, is readily replaced by thiols including cysteine, N-acetylcysteine, homocysteine, and glutathione. Best yields are obtained when reaction is carried out in the presence of dilute sulfuric acid. A variety of sulfur-containing analogues have been prepared, and their toxicity to tumor cells w... aid7788.table aid7788.tbin
7789 8 Effect of compound on gelation time of human serum induced by dithiothreitol (DTT) aid7789.table aid7789.tbin
7790 1 Title: Synthesis of L-(+)-3-(3-hydroxy-4-pivaloyloxybenzyl)-2,5-diketomorpholine as potential prodrug of L-dopa. Abstract: The synthesis and in vitro chemical and enzymatic stability of L-(+)-3-(3-hydroxy-4-pivaloyloxybenzyl)-2,5-diketomorpholine (9) as L-Dopa prodrug are described. Prodrug 9 possesses a good lipophilicity (log P = 2.153 +/- 0.017), is stable in aqueous buffer solutions (pH 1.3 and 7.4), and in 80% rat and human plasma it is turned into L-Dopa. aid7790.table aid7790.tbin
7791 1 Title: Synthesis of L-(+)-3-(3-hydroxy-4-pivaloyloxybenzyl)-2,5-diketomorpholine as potential prodrug of L-dopa. Abstract: The synthesis and in vitro chemical and enzymatic stability of L-(+)-3-(3-hydroxy-4-pivaloyloxybenzyl)-2,5-diketomorpholine (9) as L-Dopa prodrug are described. Prodrug 9 possesses a good lipophilicity (log P = 2.153 +/- 0.017), is stable in aqueous buffer solutions (pH 1.3 and 7.4), and in 80% rat and human plasma it is turned into L-Dopa. aid7791.table aid7791.tbin
7792 1 Title: Synthesis of L-(+)-3-(3-hydroxy-4-pivaloyloxybenzyl)-2,5-diketomorpholine as potential prodrug of L-dopa. Abstract: The synthesis and in vitro chemical and enzymatic stability of L-(+)-3-(3-hydroxy-4-pivaloyloxybenzyl)-2,5-diketomorpholine (9) as L-Dopa prodrug are described. Prodrug 9 possesses a good lipophilicity (log P = 2.153 +/- 0.017), is stable in aqueous buffer solutions (pH 1.3 and 7.4), and in 80% rat and human plasma it is turned into L-Dopa. aid7792.table aid7792.tbin
7793 34 Title: Synthesis, biological activity, and three-dimensional quantitative structure-activity relationship model for a series of benzo[c]quinolizin-3-ones, nonsteroidal inhibitors of human steroid 5alpha-reductase 1. Abstract: New 5alpha-reductase 1 (5alphaR-1) inhibitors were designed to complete a consistent set of analogues suitable for a 3D QSAR study. These compounds were synthesized by a modification of the aza-Robinson annulation, further functionalized by Pd-catalyzed cross-coupling proce... aid7793.table aid7793.tbin
7794 5 Title: New tetrahydrobenzindoles as potent and selective 5-HT(7) antagonists with increased In vitro metabolic stability. Abstract: Chemical modifications of compound 1 (DR4004), a potent, selective antagonist of the 5-HT(7) receptor, were conducted with the aim of improving its metabolic stability. Halogenation of putative sites of oxidative metabolism afforded compounds 7-10, which retained high affinity and selectivity for the 5-HT(7) receptor, and showed increased in vitro metabolic stabilit... aid7794.table aid7794.tbin
7795 7 Title: Muscarinic M(3) receptor antagonists with (2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxyphenylacetamide Structures. Part 2. Abstract: Optimization of the amine part of our original muscarinic M(3) receptor antagonist 1 was performed to identify M(3) receptor antagonists that are superior to 1. Compounds carrying a variety of diamine moieties without hydrophobic substituent on the nitrogen atom were screened against the binding affinity for the M(3) receptor and the selectivity for M(3) o... aid7795.table aid7795.tbin
7796 1 Title: Synthesis and biological activities of (R)-5,6-dihydro-N,N-dimethyl-4H-imidazo[4,5,1-ij]quinolin-5-amine and its metabolites. Abstract: The imidazoquinoline (R)-5,6-Dihydro-N,N-dimethyl-4H-imidazo[4,5,1-ij]quinolin-5-amine [(R)-3] is a potent dopamine agonist when tested in animals but surprisingly shows very low affinity in in vitro binding assays. When incubated with mouse or monkey liver S9 microsomes, (R)-3 is metabolized by N-demethylation and oxidation to (R)-5,6-dihydro-5-(methylam... aid7796.table aid7796.tbin
7797 2 Title: Synthesis and biological activities of (R)-5,6-dihydro-N,N-dimethyl-4H-imidazo[4,5,1-ij]quinolin-5-amine and its metabolites. Abstract: The imidazoquinoline (R)-5,6-Dihydro-N,N-dimethyl-4H-imidazo[4,5,1-ij]quinolin-5-amine [(R)-3] is a potent dopamine agonist when tested in animals but surprisingly shows very low affinity in in vitro binding assays. When incubated with mouse or monkey liver S9 microsomes, (R)-3 is metabolized by N-demethylation and oxidation to (R)-5,6-dihydro-5-(methylam... aid7797.table aid7797.tbin
7798 1 Title: Synthesis and biological activities of (R)-5,6-dihydro-N,N-dimethyl-4H-imidazo[4,5,1-ij]quinolin-5-amine and its metabolites. Abstract: The imidazoquinoline (R)-5,6-Dihydro-N,N-dimethyl-4H-imidazo[4,5,1-ij]quinolin-5-amine [(R)-3] is a potent dopamine agonist when tested in animals but surprisingly shows very low affinity in in vitro binding assays. When incubated with mouse or monkey liver S9 microsomes, (R)-3 is metabolized by N-demethylation and oxidation to (R)-5,6-dihydro-5-(methylam... aid7798.table aid7798.tbin
7799 1 Title: Synthesis and biological activities of (R)-5,6-dihydro-N,N-dimethyl-4H-imidazo[4,5,1-ij]quinolin-5-amine and its metabolites. Abstract: The imidazoquinoline (R)-5,6-Dihydro-N,N-dimethyl-4H-imidazo[4,5,1-ij]quinolin-5-amine [(R)-3] is a potent dopamine agonist when tested in animals but surprisingly shows very low affinity in in vitro binding assays. When incubated with mouse or monkey liver S9 microsomes, (R)-3 is metabolized by N-demethylation and oxidation to (R)-5,6-dihydro-5-(methylam... aid7799.table aid7799.tbin
7800 1 Title: Synthesis and biological activities of (R)-5,6-dihydro-N,N-dimethyl-4H-imidazo[4,5,1-ij]quinolin-5-amine and its metabolites. Abstract: The imidazoquinoline (R)-5,6-Dihydro-N,N-dimethyl-4H-imidazo[4,5,1-ij]quinolin-5-amine [(R)-3] is a potent dopamine agonist when tested in animals but surprisingly shows very low affinity in in vitro binding assays. When incubated with mouse or monkey liver S9 microsomes, (R)-3 is metabolized by N-demethylation and oxidation to (R)-5,6-dihydro-5-(methylam... aid7800.table aid7800.tbin
7801 1 Title: Synthesis and biological activities of (R)-5,6-dihydro-N,N-dimethyl-4H-imidazo[4,5,1-ij]quinolin-5-amine and its metabolites. Abstract: The imidazoquinoline (R)-5,6-Dihydro-N,N-dimethyl-4H-imidazo[4,5,1-ij]quinolin-5-amine [(R)-3] is a potent dopamine agonist when tested in animals but surprisingly shows very low affinity in in vitro binding assays. When incubated with mouse or monkey liver S9 microsomes, (R)-3 is metabolized by N-demethylation and oxidation to (R)-5,6-dihydro-5-(methylam... aid7801.table aid7801.tbin
7802 2 Title: 5-imidazolyl-quinolinones, -quinazolinones and -benzo-azepinones as farnesyltransferase inhibitors. Abstract: The evaluation of structure-activity relationships associated with the modification of the R115777 quinolinone ring moiety displaying potent in vitro inhibiting activity is described. aid7802.table aid7802.tbin
7803 2 Title: Novel 5-cyclopropyl-1,4-benzodiazepin-2-ones as potent and selective I(Ks)-blocking class III antiarrhythmic agents. Abstract: Novel 5-cyclopropyl-1,4-benzodiazepin-2-ones having various N-l substituents were identified as potent and selective blockers of the slowly activating cardiac delayed rectifier potassium current (I(Ks)). Compound 11 is the most potent I(Ks) channel blocker reported to date. aid7803.table aid7803.tbin
7804 2 Title: Oxyguanidines: application to non-peptidic phenyl-based thrombin inhibitors. Abstract: Although thrombin has been extensively researched with many examples of potent and selective inhibitors, the key characteristics of oral bioavailability and long half-life have been elusive. We report here a novel series non-peptidic phenyl-based, highly potent, highly selective and orally bioavailable thrombin inhibitors using oxyguanidines as guanidine-mimetics. aid7804.table aid7804.tbin
7805 14 Title: Novel quinolinequinone antitumor agents: structure-metabolism studies with NAD(P)H:quinone oxidoreductase (NQO1). Abstract: The effects of functional group changes on the metabolism of novel quinolinequinones by recombinant human NAD(P)H:quinone oxidoreductase (NQO1) are described. Overall, the quinolinequinones were much better substrates for NQO1 than analogous indolequinones, with compounds containing heterocyclic substituents at C-2 being among the best substrates. aid7805.table aid7805.tbin
7806 1 Title: Discovery of 1-(2-aminomethylphenyl)-3-trifluoromethyl-N- [3-fluoro-2'-(aminosulfonyl)[1,1'-biphenyl)]-4-yl]-1H-pyrazole-5-carboxyamide (DPC602), a potent, selective, and orally bioavailable factor Xa inhibitor(1). Abstract: Factor Xa, a serine protease, is at the critical juncture between the intrinsic and extrinsic pathways of the coagulation cascade. Inhibition of factor Xa has the potential to provide effective treatment for both venous and arterial thrombosis. We recently described a... aid7806.table aid7806.tbin
7807 3 Title: Pharmacokinetic optimization of 3-amino-6-chloropyrazinone acetamide thrombin inhibitors. Implementation of P3 pyridine N-oxides to deliver an orally bioavailable series containing P1 N-benzylamides. Abstract: In this manuscript we demonstrate that a modification principally directed toward the improvement of the aqueous solubility (i.e., introduction a P3 pyridine N-oxide) of the previous lead compound afforded a new series of potent orally bioavailable P1 N-benzylamide thrombin inhibito... aid7807.table aid7807.tbin
7808 7 Title: Non-peptide alphavbeta3 antagonists. Part 6: design and synthesis of alphavbeta3 antagonists containing a pyridone or pyrazinone central scaffold. Abstract: Two novel series of small-molecule RGD mimetics containing either a substituted pyridone or pyrazinone central constraint were prepared. Modification of the beta-alanine 3-substituent produced compounds that are potent and selective alpha(v)beta(3) antagonists and exhibit a range of physicochemical properties. aid7808.table aid7808.tbin
7809 1 Title: A structure-permeability study of small drug-like molecules. Abstract: A systematic structure-permeability relationship study on a set of small drug-like molecules with log D values in the range -2.5 to 3 and carrying a diverse array of functionality reveals that the compounds with log D&gt;0 and &lt;3 are highly permeable. Surprisingly, several tetrazole derivatives were found to be substrates for efflux pump(s). aid7809.table aid7809.tbin
7810 9 Title: A structure-permeability study of small drug-like molecules. Abstract: A systematic structure-permeability relationship study on a set of small drug-like molecules with log D values in the range -2.5 to 3 and carrying a diverse array of functionality reveals that the compounds with log D&gt;0 and &lt;3 are highly permeable. Surprisingly, several tetrazole derivatives were found to be substrates for efflux pump(s). aid7810.table aid7810.tbin
7811 4 Title: Benzylamine-based selective and orally bioavailable inhibitors of thrombin. Abstract: A series of p-aminomethylphenylalanine derivatives were investigated as novel thrombin inhibitors. This study led to potent inhibitors of thrombin (Ki up to 3.3 nM) that are trypsin-selective, highly orally bioavailable in rats, and highly permeable across Caco-2 cells. The P1 benzylamine binding mode in the thrombin active site was identified by X-ray crystallographic analysis. aid7811.table aid7811.tbin
7812 8 Title: Graphical model for estimating oral bioavailability of drugs in humans and other species from their Caco-2 permeability and in vitro liver enzyme metabolic stability rates. Abstract: This paper describes a graphical model for simplifying in vitro absorption, metabolism, distribution, and elimination (ADME) data analysis through the estimation of oral bioavailability (%F) of drugs in humans and other species. This model integrates existing in vitro ADME data, such as Caco-2 permeability (P... aid7812.table aid7812.tbin
7813 1 Title: 3-Aminopyrazole inhibitors of CDK2/cyclin A as antitumor agents. 1. Lead finding. Abstract: Abnormal proliferation mediated by disruption of the normal cell cycle mechanisms is a hallmark of virtually all cancer cells. Compounds targeting complexes between cyclin-dependent kinases (CDK) and cyclins, such as CDK2/cyclin A and CDK2/cyclin E, and inhibiting their kinase activity are regarded as promising antitumor agents to complement the existing therapies. From a high-throughput screening ... aid7813.table aid7813.tbin
7814 1 Title: 5-lipoxygenase inhibitors with histamine H(1) receptor antagonist activity. Abstract: A series of novel compounds with both 5-lipoxygenase (5-LO) inhibitory and histamine H(1) receptor antagonist activity were designed for the treatment of asthma. These dual-function compounds were made by connecting 5-LO and H(1) pharmacophores,N-hydroxyureas and benzhydryl piperazines, respectively. A range of in vitro activities was observed, with the furan analog 10 demonstrating both activities in an... aid7814.table aid7814.tbin
7815 9 Title: A structure-permeability study of small drug-like molecules. Abstract: A systematic structure-permeability relationship study on a set of small drug-like molecules with log D values in the range -2.5 to 3 and carrying a diverse array of functionality reveals that the compounds with log D&gt;0 and &lt;3 are highly permeable. Surprisingly, several tetrazole derivatives were found to be substrates for efflux pump(s). aid7815.table aid7815.tbin
7816 8 Title: A structure-permeability study of small drug-like molecules. Abstract: A systematic structure-permeability relationship study on a set of small drug-like molecules with log D values in the range -2.5 to 3 and carrying a diverse array of functionality reveals that the compounds with log D&gt;0 and &lt;3 are highly permeable. Surprisingly, several tetrazole derivatives were found to be substrates for efflux pump(s). aid7816.table aid7816.tbin
7817 24 Title: A structure-permeability study of small drug-like molecules. Abstract: A systematic structure-permeability relationship study on a set of small drug-like molecules with log D values in the range -2.5 to 3 and carrying a diverse array of functionality reveals that the compounds with log D&gt;0 and &lt;3 are highly permeable. Surprisingly, several tetrazole derivatives were found to be substrates for efflux pump(s). aid7817.table aid7817.tbin
7818 6 Compound was measured for binding rate for human serum at a carbapenem concentration of 10 ug/mL aid7818.table aid7818.tbin
7819 2 Title: The discovery of sulfonylated dipeptides as potent VLA-4 antagonists. Abstract: Directed screening of a carboxylic acid-containing combinatorial library led to the discovery of potent inhibitors of the integrin VLA-4. Subsequent optimization by solid-phase synthesis afforded a series of sulfonylated dipeptide inhibitors with structural components that when combined in a single hybrid molecule gave a sub-nanomolar inhibitor as a lead for medicinal chemistry. Preliminary metabolic studies l... aid7819.table aid7819.tbin
7820 9 Title: A structure-permeability study of small drug-like molecules. Abstract: A systematic structure-permeability relationship study on a set of small drug-like molecules with log D values in the range -2.5 to 3 and carrying a diverse array of functionality reveals that the compounds with log D&gt;0 and &lt;3 are highly permeable. Surprisingly, several tetrazole derivatives were found to be substrates for efflux pump(s). aid7820.table aid7820.tbin
7821 5 Title: Stereospecific synthesis of chiral metabolites of ifosfamide and their determination in the urine. Abstract: The stereospecific synthesis of two chiral metabolites of ifosfamide (2), 4-ketoifosfamide (5) and 2-amino-3-(2-chloroethyl)tetrahydro-2H-1,3, 2-oxazaphosphorine 2-oxide (9), is reported. The absolute configuration of both compounds was assigned on the basis of chemical correlation. In addition, two other achiral metabolites of 2, carboxyifosfamide (6) and IPAM (7), were synthesize... aid7821.table aid7821.tbin
7822 6 Title: Synthesis and biological activity of N-Acylated ornithine analogues of daptomycin. Abstract: N-Acylated ornithine analogues of daptomycin were synthesized and tested for their antibacterial efficacy. aid7822.table aid7822.tbin
7823 2 Title: Synthesis and biological evaluation of novel 1beta-methylcarbapenems having a new moiety at C-2. Abstract: The synthesis and biological activity of the novel series of 1 beta-methylcarbapenems 1a-f, bearing a variety of 3&quot;,4&quot;-disubstituted pyrrolidinamides as substituents at C-2, are described. Of these carbapenems, diol 1a showed the most potent and well balanced antibacterial activity against Gram-positive and Gram-negative. 1a was also evaluated for pharmacokinetics and in vi... aid7823.table aid7823.tbin
7824 1 Title: Improved antibacterial activities of coumarin antibiotics bearing 5',5'-dialkylnoviose: biological activity of RU79115. Abstract: A new series of coumarin inhibitors of DNA gyrase B bearing a N-propargyloxycarbamate at C-3' of various 5',5'-dialkylnoviose, including RU79115, were synthesised and their antibacterial activities have been delineated. Introduction of dialkyl substituents at 5'5'-position of noviose leads to coumarin analogues with improved in vitro and in vivo antibacterial a... aid7824.table aid7824.tbin
7825 2 Title: Orally active indole N-oxide PDE4 inhibitors. Abstract: This communication describes the synthesis and in vitro and in vivo evaluation of a novel potent series of phosphodiesterase type (IV) (PDE4) inhibitors. Several of the compounds presented possess low nanomolar IC50's for PDE4 inhibition and excellent in vivo activity for inhibition of TNF-alpha levels in LPS challenged mice (mouse endotoxemia model). Emesis studies (dog) and efficacy in a SCW arthritis model for the most potent PDE4... aid7825.table aid7825.tbin
7826 1 Title: A-420983: a potent, orally active inhibitor of lck with efficacy in a model of transplant rejection. Abstract: We have identified the pyrazolo[3,4-d]pyrimidine A-420983 (compound 7) as a potent inhibitor of lck. A-420983 exhibits oral efficacy in animal models of delayed-type hypersensitivity and organ transplant rejection. aid7826.table aid7826.tbin
7827 1 Title: N-(cycloalkylamino)acyl-2-aminothiazole inhibitors of cyclin-dependent kinase 2. N-[5-[[[5-(1,1-dimethylethyl)-2-oxazolyl]methyl]thio]-2-thiazolyl]-4- piperidinecarboxamide (BMS-387032), a highly efficacious and selective antitumor agent. Abstract: N-Acyl-2-aminothiazoles with nonaromatic acyl side chains containing a basic amine were found to be potent, selective inhibitors of CDK2/cycE which exhibit antitumor activity in mice. In particular, compound 21 [N-[5-[[[5-(1,1-dimethylethyl)-2-... aid7827.table aid7827.tbin
7828 2 Title: Design and synthesis of fluorinated RXR modulators. Abstract: Fluorinated trienoic acid analogues of the RXR selective modulator 1 (LG101506) were synthesized, and tested for their ability to bind RXRalpha and activate RXR homo and heterodimers. Potency and efficacy were observed to be dependent upon the position of fluorination, and improvement in pharmacological profile was demonstrated in some cases. aid7828.table aid7828.tbin
7829 1 Title: N-(cycloalkylamino)acyl-2-aminothiazole inhibitors of cyclin-dependent kinase 2. N-[5-[[[5-(1,1-dimethylethyl)-2-oxazolyl]methyl]thio]-2-thiazolyl]-4- piperidinecarboxamide (BMS-387032), a highly efficacious and selective antitumor agent. Abstract: N-Acyl-2-aminothiazoles with nonaromatic acyl side chains containing a basic amine were found to be potent, selective inhibitors of CDK2/cycE which exhibit antitumor activity in mice. In particular, compound 21 [N-[5-[[[5-(1,1-dimethylethyl)-2-... aid7829.table aid7829.tbin
7830 4 Title: Synthesis and antibacterial activity of 2alpha-functionalized 1beta-methylcarbapenems related to KR-21012. Abstract: The 2alpha-functionalized 1beta-methylcarbapenems 3 were synthesized from the 2-formyl 1beta-methylcarbapenem intermediate 5. The best compound in the series of 2alpha-(hydroxy)alkylcarbapenems, KR-21012, displayed well balanced in vitro and in vivo activity as a parent compound of oral carbapenem. aid7830.table aid7830.tbin
7831 1 Title: Semisynthetic macrolide antibacterials derived from tylosin. Synthesis and structure-activity relationships of novel desmycosin analogues. Abstract: A series of 20-O-substituted and 3,20-di-O-substituted derivatives of desmycosin were synthesized and their biological properties were evaluated. In particular, we have synthesized numerous side chain modified analogues of desmycosin as well as some analogues possessing a combination of modified side chain and alternative C-3 substituents. Th... aid7831.table aid7831.tbin
7832 1 Title: Semisynthetic macrolide antibacterials derived from tylosin. Synthesis and structure-activity relationships of novel desmycosin analogues. Abstract: A series of 20-O-substituted and 3,20-di-O-substituted derivatives of desmycosin were synthesized and their biological properties were evaluated. In particular, we have synthesized numerous side chain modified analogues of desmycosin as well as some analogues possessing a combination of modified side chain and alternative C-3 substituents. Th... aid7832.table aid7832.tbin
7833 1 Title: Semisynthetic macrolide antibacterials derived from tylosin. Synthesis and structure-activity relationships of novel desmycosin analogues. Abstract: A series of 20-O-substituted and 3,20-di-O-substituted derivatives of desmycosin were synthesized and their biological properties were evaluated. In particular, we have synthesized numerous side chain modified analogues of desmycosin as well as some analogues possessing a combination of modified side chain and alternative C-3 substituents. Th... aid7833.table aid7833.tbin
7834 1 Title: Semisynthetic macrolide antibacterials derived from tylosin. Synthesis and structure-activity relationships of novel desmycosin analogues. Abstract: A series of 20-O-substituted and 3,20-di-O-substituted derivatives of desmycosin were synthesized and their biological properties were evaluated. In particular, we have synthesized numerous side chain modified analogues of desmycosin as well as some analogues possessing a combination of modified side chain and alternative C-3 substituents. Th... aid7834.table aid7834.tbin
7835 1 Title: N-(cycloalkylamino)acyl-2-aminothiazole inhibitors of cyclin-dependent kinase 2. N-[5-[[[5-(1,1-dimethylethyl)-2-oxazolyl]methyl]thio]-2-thiazolyl]-4- piperidinecarboxamide (BMS-387032), a highly efficacious and selective antitumor agent. Abstract: N-Acyl-2-aminothiazoles with nonaromatic acyl side chains containing a basic amine were found to be potent, selective inhibitors of CDK2/cycE which exhibit antitumor activity in mice. In particular, compound 21 [N-[5-[[[5-(1,1-dimethylethyl)-2-... aid7835.table aid7835.tbin
7836 1 Title: N-(cycloalkylamino)acyl-2-aminothiazole inhibitors of cyclin-dependent kinase 2. N-[5-[[[5-(1,1-dimethylethyl)-2-oxazolyl]methyl]thio]-2-thiazolyl]-4- piperidinecarboxamide (BMS-387032), a highly efficacious and selective antitumor agent. Abstract: N-Acyl-2-aminothiazoles with nonaromatic acyl side chains containing a basic amine were found to be potent, selective inhibitors of CDK2/cycE which exhibit antitumor activity in mice. In particular, compound 21 [N-[5-[[[5-(1,1-dimethylethyl)-2-... aid7836.table aid7836.tbin
7837 2 Title: N-(cycloalkylamino)acyl-2-aminothiazole inhibitors of cyclin-dependent kinase 2. N-[5-[[[5-(1,1-dimethylethyl)-2-oxazolyl]methyl]thio]-2-thiazolyl]-4- piperidinecarboxamide (BMS-387032), a highly efficacious and selective antitumor agent. Abstract: N-Acyl-2-aminothiazoles with nonaromatic acyl side chains containing a basic amine were found to be potent, selective inhibitors of CDK2/cycE which exhibit antitumor activity in mice. In particular, compound 21 [N-[5-[[[5-(1,1-dimethylethyl)-2-... aid7837.table aid7837.tbin
7838 1 Title: N-(cycloalkylamino)acyl-2-aminothiazole inhibitors of cyclin-dependent kinase 2. N-[5-[[[5-(1,1-dimethylethyl)-2-oxazolyl]methyl]thio]-2-thiazolyl]-4- piperidinecarboxamide (BMS-387032), a highly efficacious and selective antitumor agent. Abstract: N-Acyl-2-aminothiazoles with nonaromatic acyl side chains containing a basic amine were found to be potent, selective inhibitors of CDK2/cycE which exhibit antitumor activity in mice. In particular, compound 21 [N-[5-[[[5-(1,1-dimethylethyl)-2-... aid7838.table aid7838.tbin
7839 1 Title: Semisynthetic macrolide antibacterials derived from tylosin. Synthesis and structure-activity relationships of novel desmycosin analogues. Abstract: A series of 20-O-substituted and 3,20-di-O-substituted derivatives of desmycosin were synthesized and their biological properties were evaluated. In particular, we have synthesized numerous side chain modified analogues of desmycosin as well as some analogues possessing a combination of modified side chain and alternative C-3 substituents. Th... aid7839.table aid7839.tbin
7840 1 Title: Discovery of aminothiazole inhibitors of cyclin-dependent kinase 2: synthesis, X-ray crystallographic analysis, and biological activities. Abstract: High throughput screening identified 2-acetamido-thiazolylthio acetic ester 1 as an inhibitor of cyclin-dependent kinase 2 (CDK2). Because this compound is inactive in cells and unstable in plasma, we have stabilized it to metabolic hydrolysis by replacing the ester moiety with a 5-ethyl-substituted oxazole as in compound 14. Combinatorial an... aid7840.table aid7840.tbin
7841 1 Title: Discovery of aminothiazole inhibitors of cyclin-dependent kinase 2: synthesis, X-ray crystallographic analysis, and biological activities. Abstract: High throughput screening identified 2-acetamido-thiazolylthio acetic ester 1 as an inhibitor of cyclin-dependent kinase 2 (CDK2). Because this compound is inactive in cells and unstable in plasma, we have stabilized it to metabolic hydrolysis by replacing the ester moiety with a 5-ethyl-substituted oxazole as in compound 14. Combinatorial an... aid7841.table aid7841.tbin
7842 4 Title: Design and synthesis of novel RXR-selective modulators with improved pharmacological profile. Abstract: New RXR-selective modulators possessing a 6-fluoro trienoic acid moiety (6Z olefin) or a fluorinated/heterocyclic-substituted benzene core ring, were synthesized in an expedient and selective way. A subset of these compounds was evaluated for their metabolic properties (exposure in IRC male mice) and show a dramatic increase of exposure compared to our reference compound, 3 (LG101506). aid7842.table aid7842.tbin
7843 1 Title: Novel 6,7-diphenyl-2,3,8,8a-tetrahydro-1H-indolizin-5-one analogues as cytotoxic agents. Abstract: A series of 6,7-diphenyl-2,3,8,8a-tetrahydro-1H-indolizin-5-one analogues were synthesized and evaluated for cytotoxic activity against eight human cancer cell lines. Compounds 18, 21, 28, 29, 30 and 31 showed cytotoxic activity with GI(50) values in the range of 2.1-8.1 microM concentration. Among these, compounds 21 and 28 exhibited good pharmacokinetic properties. These compounds were fur... aid7843.table aid7843.tbin
7844 5 Title: Novel 6,7-diphenyl-2,3,8,8a-tetrahydro-1H-indolizin-5-one analogues as cytotoxic agents. Abstract: A series of 6,7-diphenyl-2,3,8,8a-tetrahydro-1H-indolizin-5-one analogues were synthesized and evaluated for cytotoxic activity against eight human cancer cell lines. Compounds 18, 21, 28, 29, 30 and 31 showed cytotoxic activity with GI(50) values in the range of 2.1-8.1 microM concentration. Among these, compounds 21 and 28 exhibited good pharmacokinetic properties. These compounds were fur... aid7844.table aid7844.tbin
7845 2 Evaluated for pharmacokinetic parameter urine recovery in mouse at the dose 20 mg/kg ( 0-24 hr ) aid7845.table aid7845.tbin
7846 1 Evaluated for pharmacokinetic parameter urine recovery in mouse at the dose 20 mg/kg (0-24 hr) aid7846.table aid7846.tbin
7847 3 Title: Synthesis and antibacterial activity of 2alpha-functionalized 1beta-methylcarbapenems related to KR-21012. Abstract: The 2alpha-functionalized 1beta-methylcarbapenems 3 were synthesized from the 2-formyl 1beta-methylcarbapenem intermediate 5. The best compound in the series of 2alpha-(hydroxy)alkylcarbapenems, KR-21012, displayed well balanced in vitro and in vivo activity as a parent compound of oral carbapenem. aid7847.table aid7847.tbin
7848 1 Title: Synthesis and evaluation of dihydropyrroloquinolines that selectively antagonize P-glycoprotein. Abstract: In a search for improved multiple drug resistance (MDR) modulators, we identified a novel series of substituted pyrroloquinolines that selectively inhibits the function of P-glycoprotein (Pgp) without modulating multidrug resistance-related protein 1 (MRP1). These compounds were evaluated for their toxicity toward drug-sensitive tumor cells (i.e. MCF-7, T24) and for their ability to ... aid7848.table aid7848.tbin
7849 1 Title: Synthesis and evaluation of dihydropyrroloquinolines that selectively antagonize P-glycoprotein. Abstract: In a search for improved multiple drug resistance (MDR) modulators, we identified a novel series of substituted pyrroloquinolines that selectively inhibits the function of P-glycoprotein (Pgp) without modulating multidrug resistance-related protein 1 (MRP1). These compounds were evaluated for their toxicity toward drug-sensitive tumor cells (i.e. MCF-7, T24) and for their ability to ... aid7849.table aid7849.tbin
7850 1 Title: Discovery, SAR, synthesis, pharmacokinetic and biochemical characterization of A-192411: a novel fungicidal lipopeptide-(I). Abstract: The echinocandin class of cyclic lipopeptides has been simplified to discover potent antifungal compounds. Namely A-192411 shows good in vitro activity against common pathogenic yeasts and has an acceptable safety window in vivo. Discovery, limited SAR, synthesis, biochemical and pharmaco-dynamic profiles of A-192411 are presented. aid7850.table aid7850.tbin
7851 1 Title: Synthesis and biological activity of N-Acylated ornithine analogues of daptomycin. Abstract: N-Acylated ornithine analogues of daptomycin were synthesized and tested for their antibacterial efficacy. aid7851.table aid7851.tbin
7852 5 Title: Synthesis and biological activity of N-Acylated ornithine analogues of daptomycin. Abstract: N-Acylated ornithine analogues of daptomycin were synthesized and tested for their antibacterial efficacy. aid7852.table aid7852.tbin
7853 1 Title: Synthesis and biological activity of N-Acylated ornithine analogues of daptomycin. Abstract: N-Acylated ornithine analogues of daptomycin were synthesized and tested for their antibacterial efficacy. aid7853.table aid7853.tbin
7854 2 Title: Array synthesis of novel lipodepsipeptide. Abstract: Synthetic array technology was utilized to rapidly synthesize and analyze a diverse set of reductive alkylation analogues of daptomycin. Analysis of the array suggested the use of polar functionality such as sulfonamides or amide or polar spaces such as piperazine would beneficially affect activity. aid7854.table aid7854.tbin
7855 5 Title: 3-(2-aminoalkyl)-1-(2,6-difluorobenzyl)-5- (2-fluoro-3-methoxyphenyl)-6-methyl-uracils as orally bioavailable antagonists of the human gonadotropin releasing hormone receptor. Abstract: Uracils possessing N-3 side chains derived from various amino alcohols were designed and synthesized as potent human gonadotropin releasing hormone receptor antagonists. The compounds herein presented displayed superior metabolic stability than their predecessor molecules. Selected compounds from this seri... aid7855.table aid7855.tbin
7856 1 Title: A-420983: a potent, orally active inhibitor of lck with efficacy in a model of transplant rejection. Abstract: We have identified the pyrazolo[3,4-d]pyrimidine A-420983 (compound 7) as a potent inhibitor of lck. A-420983 exhibits oral efficacy in animal models of delayed-type hypersensitivity and organ transplant rejection. aid7856.table aid7856.tbin
7857 2 Title: Design and synthesis of a fluoroindolocarbazole series as selective topoisomerase I active agents. Discovery of water-soluble 3,9-difluoro-12,13-dihydro-13-[6-amino-beta-D-glucopyranosyl]-5H,13H-benzo[b]- thienyl[2,3-a]pyrrolo[3,4-c]carbazole- 5,7(6H)-dione (BMS-251873) with curative antitumor activity against prostate carcinoma xenograft tumor model. Abstract: A series of fluoroindolocarbazoles were studied with respect to their topoisomerase I activity, cytotoxicity, selectivity, and in... aid7857.table aid7857.tbin
7858 1 Title: Design and synthesis of a fluoroindolocarbazole series as selective topoisomerase I active agents. Discovery of water-soluble 3,9-difluoro-12,13-dihydro-13-[6-amino-beta-D-glucopyranosyl]-5H,13H-benzo[b]- thienyl[2,3-a]pyrrolo[3,4-c]carbazole- 5,7(6H)-dione (BMS-251873) with curative antitumor activity against prostate carcinoma xenograft tumor model. Abstract: A series of fluoroindolocarbazoles were studied with respect to their topoisomerase I activity, cytotoxicity, selectivity, and in... aid7858.table aid7858.tbin
7859 1 Title: Design and synthesis of a fluoroindolocarbazole series as selective topoisomerase I active agents. Discovery of water-soluble 3,9-difluoro-12,13-dihydro-13-[6-amino-beta-D-glucopyranosyl]-5H,13H-benzo[b]- thienyl[2,3-a]pyrrolo[3,4-c]carbazole- 5,7(6H)-dione (BMS-251873) with curative antitumor activity against prostate carcinoma xenograft tumor model. Abstract: A series of fluoroindolocarbazoles were studied with respect to their topoisomerase I activity, cytotoxicity, selectivity, and in... aid7859.table aid7859.tbin
7860 1 Title: Indazolylamino quinazolines and pyridopyrimidines as inhibitors of the EGFr and C-erbB-2. Abstract: Described herein is the design and synthesis of indazolylaminopyridopyrimidines and quinazolines as inhibitors of the class 1 tyrosine kinase receptor family. Data is presented for N(4)-(1-benzyl-1H-indazol-5-yl)-N(6),N(6)-dimethylpyrido[3,4-d]pyrimidine-4,6-diamine 3B. This compound inhibited EGFr and c-erbB-2 enzymes selectively over other kinases. It inhibited the proliferation of a rang... aid7860.table aid7860.tbin
7861 2 Title: Orally active indole N-oxide PDE4 inhibitors. Abstract: This communication describes the synthesis and in vitro and in vivo evaluation of a novel potent series of phosphodiesterase type (IV) (PDE4) inhibitors. Several of the compounds presented possess low nanomolar IC50's for PDE4 inhibition and excellent in vivo activity for inhibition of TNF-alpha levels in LPS challenged mice (mouse endotoxemia model). Emesis studies (dog) and efficacy in a SCW arthritis model for the most potent PDE4... aid7861.table aid7861.tbin
7862 1 Title: Synthesis and evaluation of dihydropyrroloquinolines that selectively antagonize P-glycoprotein. Abstract: In a search for improved multiple drug resistance (MDR) modulators, we identified a novel series of substituted pyrroloquinolines that selectively inhibits the function of P-glycoprotein (Pgp) without modulating multidrug resistance-related protein 1 (MRP1). These compounds were evaluated for their toxicity toward drug-sensitive tumor cells (i.e. MCF-7, T24) and for their ability to ... aid7862.table aid7862.tbin
7863 1 Title: The synthesis and biological evaluation of a novel series of indole PDE4 inhibitors I. Abstract: This communication describes the synthesis and in vitro evaluation of a novel potent series of phosphodiesterase type (IV) (PDE4) inhibitors. The compounds described contain an indole moiety which replaces the 'rolipram-like' 3-methoxy-4-cyclopentoxy motif. Several of the compounds presented possess low nanomolar IC50's for PDEIV inhibition. In vivo activities determined from measurement of se... aid7863.table aid7863.tbin
7864 1 Title: The synthesis and biological evaluation of a novel series of indole PDE4 inhibitors I. Abstract: This communication describes the synthesis and in vitro evaluation of a novel potent series of phosphodiesterase type (IV) (PDE4) inhibitors. The compounds described contain an indole moiety which replaces the 'rolipram-like' 3-methoxy-4-cyclopentoxy motif. Several of the compounds presented possess low nanomolar IC50's for PDEIV inhibition. In vivo activities determined from measurement of se... aid7864.table aid7864.tbin
7865 1 Title: Sultam hydroxamates as novel matrix metalloproteinase inhibitors. Abstract: In this communication we describe the design, synthesis, and evaluation of novel sultam hydroxamates 4 as MMP-2, -9, and -13 inhibitors. Compound 26 was found to be an active inhibitor (MMP-2 IC(50) = 1 nM) with 1000-fold selectivity over MMP-1 and good oral bioavailability (F = 43%) in mouse. An X-ray crystal structure of 26 in MMP-13 confirms the key hydrogen bonds and prime side binding in the active site. aid7865.table aid7865.tbin
7866 1 Title: Identification of a novel class of orally active pyrimido[5,4-3][1,2,4]triazine-5,7-diamine-based hypoglycemic agents with protein tyrosine phosphatase inhibitory activity. Abstract: A novel series of orally active pyrimido[5,4-3][1,2,4]triazine-5,7-diamine-based hypoglycemic agents have been identified. These compounds show non-selective inhibitory properties against a panel of protein tyrosine phosphatases including PTP1B. Compounds 12 and 13 display oral glucose lowering effects in ob/... aid7866.table aid7866.tbin
7867 1 Title: Integrating fragment assembly and biophysical methods in the chemical advancement of small-molecule antagonists of IL-2: an approach for inhibiting protein-protein interactions. Abstract: Fragment assembly has shown promise for discovering small-molecule antagonists for difficult targets, including protein-protein interactions. Here, we describe a process for identifying a 60 nM inhibitor of the interleukin-2 (IL-2)/IL-2 receptor (IL-2Ralpha) interaction. By use of fragment-based approach... aid7867.table aid7867.tbin
7868 1 Title: N-(cycloalkylamino)acyl-2-aminothiazole inhibitors of cyclin-dependent kinase 2. N-[5-[[[5-(1,1-dimethylethyl)-2-oxazolyl]methyl]thio]-2-thiazolyl]-4- piperidinecarboxamide (BMS-387032), a highly efficacious and selective antitumor agent. Abstract: N-Acyl-2-aminothiazoles with nonaromatic acyl side chains containing a basic amine were found to be potent, selective inhibitors of CDK2/cycE which exhibit antitumor activity in mice. In particular, compound 21 [N-[5-[[[5-(1,1-dimethylethyl)-2-... aid7868.table aid7868.tbin
7869 1 Title: Discovery of aminothiazole inhibitors of cyclin-dependent kinase 2: synthesis, X-ray crystallographic analysis, and biological activities. Abstract: High throughput screening identified 2-acetamido-thiazolylthio acetic ester 1 as an inhibitor of cyclin-dependent kinase 2 (CDK2). Because this compound is inactive in cells and unstable in plasma, we have stabilized it to metabolic hydrolysis by replacing the ester moiety with a 5-ethyl-substituted oxazole as in compound 14. Combinatorial an... aid7869.table aid7869.tbin
7870 1 Title: Discovery, SAR, synthesis, pharmacokinetic and biochemical characterization of A-192411: a novel fungicidal lipopeptide-(I). Abstract: The echinocandin class of cyclic lipopeptides has been simplified to discover potent antifungal compounds. Namely A-192411 shows good in vitro activity against common pathogenic yeasts and has an acceptable safety window in vivo. Discovery, limited SAR, synthesis, biochemical and pharmaco-dynamic profiles of A-192411 are presented. aid7870.table aid7870.tbin
7871 1 Title: Acyl-protected hydroxylamines as spin label generators for EPR brain imaging. Abstract: In a search for novel electron paramagnetic resonance (EPR) brain imaging agents, we have designed and synthesized the acyl-protected hydroxylamines 1-acetoxy-4-methoxycarbonyl-2,2,6,6-tetramethylpiperidine (AMCPe), 1-acetoxy-3-methoxycarbonyl-2,2,5,5-tetramethylpyrrolidine (AMCPy), and 1-acetoxy-3-(acetoxymethoxy)carbonyl-2,2,5,5-tetramethylpyrrolidine (DACPy), in which both the ring size and the numb... aid7871.table aid7871.tbin
7872 1 Title: Acyl-protected hydroxylamines as spin label generators for EPR brain imaging. Abstract: In a search for novel electron paramagnetic resonance (EPR) brain imaging agents, we have designed and synthesized the acyl-protected hydroxylamines 1-acetoxy-4-methoxycarbonyl-2,2,6,6-tetramethylpiperidine (AMCPe), 1-acetoxy-3-methoxycarbonyl-2,2,5,5-tetramethylpyrrolidine (AMCPy), and 1-acetoxy-3-(acetoxymethoxy)carbonyl-2,2,5,5-tetramethylpyrrolidine (DACPy), in which both the ring size and the numb... aid7872.table aid7872.tbin
7873 1 Title: Acyl-protected hydroxylamines as spin label generators for EPR brain imaging. Abstract: In a search for novel electron paramagnetic resonance (EPR) brain imaging agents, we have designed and synthesized the acyl-protected hydroxylamines 1-acetoxy-4-methoxycarbonyl-2,2,6,6-tetramethylpiperidine (AMCPe), 1-acetoxy-3-methoxycarbonyl-2,2,5,5-tetramethylpyrrolidine (AMCPy), and 1-acetoxy-3-(acetoxymethoxy)carbonyl-2,2,5,5-tetramethylpyrrolidine (DACPy), in which both the ring size and the numb... aid7873.table aid7873.tbin
7874 1 Title: Acyl-protected hydroxylamines as spin label generators for EPR brain imaging. Abstract: In a search for novel electron paramagnetic resonance (EPR) brain imaging agents, we have designed and synthesized the acyl-protected hydroxylamines 1-acetoxy-4-methoxycarbonyl-2,2,6,6-tetramethylpiperidine (AMCPe), 1-acetoxy-3-methoxycarbonyl-2,2,5,5-tetramethylpyrrolidine (AMCPy), and 1-acetoxy-3-(acetoxymethoxy)carbonyl-2,2,5,5-tetramethylpyrrolidine (DACPy), in which both the ring size and the numb... aid7874.table aid7874.tbin
7875 8 Title: 1,3-Dialkyl-3-acyltriazenes, a novel class of antineoplastic alkylating agents. Abstract: Aliphatic triazenes, such as 1,3-dimethyltriazene, are potent biological alkylating agents because they form alkyldiazonium ions. They are also subject to very rapid proteolytic decomposition, even at physiological pH. The acylated analogues 1,3-dialkyl-3-acyltrizenes are much more stable in aqueous solution, but they also give rise to alkyldiazonium ions. Four acylated 1,3-dimethyltriazenes, where t... aid7875.table aid7875.tbin
7876 2 Title: Discovery of aminothiazole inhibitors of cyclin-dependent kinase 2: synthesis, X-ray crystallographic analysis, and biological activities. Abstract: High throughput screening identified 2-acetamido-thiazolylthio acetic ester 1 as an inhibitor of cyclin-dependent kinase 2 (CDK2). Because this compound is inactive in cells and unstable in plasma, we have stabilized it to metabolic hydrolysis by replacing the ester moiety with a 5-ethyl-substituted oxazole as in compound 14. Combinatorial an... aid7876.table aid7876.tbin
7877 29 Title: 6-Substituted-4-(3-bromophenylamino)quinazolines as putative irreversible inhibitors of the epidermal growth factor receptor (EGFR) and human epidermal growth factor receptor (HER-2) tyrosine kinases with enhanced antitumor activity. Abstract: A series of new 6-substituted-4-(3-bromophenylamino)quinazoline derivatives that may function as irreversible inhibitors of epidermal growth factor receptor (EGFR) and human epidermal growth factor receptor (HER-2) tyrosine kinases have been prepare... aid7877.table aid7877.tbin
7878 9 Title: 6-Substituted-4-(3-bromophenylamino)quinazolines as putative irreversible inhibitors of the epidermal growth factor receptor (EGFR) and human epidermal growth factor receptor (HER-2) tyrosine kinases with enhanced antitumor activity. Abstract: A series of new 6-substituted-4-(3-bromophenylamino)quinazoline derivatives that may function as irreversible inhibitors of epidermal growth factor receptor (EGFR) and human epidermal growth factor receptor (HER-2) tyrosine kinases have been prepare... aid7878.table aid7878.tbin
7879 34 Title: Synthesis and structure-activity relationships of 6,7-disubstituted 4-anilinoquinoline-3-carbonitriles. The design of an orally active, irreversible inhibitor of the tyrosine kinase activity of the epidermal growth factor receptor (EGFR) and the human epidermal growth factor receptor-2 (HER-2). Abstract: A series of of 6,7-disubstituted-4-anilinoquinoline-3-carbonitrile derivatives that function as irreversible inhibitors of EGFR and HER-2 kinases have been prepared. These inhibitors have... aid7879.table aid7879.tbin
7880 3 Title: Syntheses and EGFR kinase inhibitory activity of 6-substituted-4-anilino [1,7] and [1,8] naphthyridine-3-carbonitriles. Abstract: The syntheses and EGFR kinase inhibitory activity of a series of 6-substituted-4-anilino [1,7] and [1,8] naphthyridine-3-carbonitriles are described. Both reversible and irreversible binding inhibitors were prepared. These series were compared with each other and with the corresponding 4-anilinoquinoline-3-carbonitriles. Compounds having a 1,7-naphthyridine cor... aid7880.table aid7880.tbin
7881 21 Title: The combi-targeting concept: chemical dissection of the dual targeting properties of a series of &quot;combi-triazenes&quot;. Abstract: The combi-targeting concept postulates that a molecule termed a &quot;combi-molecule&quot; designed to interact with an oncoreceptor on its own and allowed to further degrade to another more stable inhibitor of the latter receptor + a DNA-damaging species should be more potent than the individual combination of the same inhibitor with a DNA-damaging agent... aid7881.table aid7881.tbin
7882 1 Title: Synthesis and antitumor evaluation of benzoylphenylurea analogs. Abstract: Novel series of benzoylphenylurea analogs 7-10 were prepared and evaluated for in vitro cytotoxic activity against a panel of eight different human cancer cell lines. A very interesting inhibition profile against BxPC3, Mia-Paca, and Hep2 cells with compound 10 has been observed. Compounds 8 and 9 showed the significant cytotoxicity in Hep2 cells. All cell lines were resistant to compound 7. aid7882.table aid7882.tbin
7883 4 Title: Plant antitumor agents. 31. The calycopterones, a new class of biflavonoids with novel cytotoxicity in a diverse panel of human tumor cell lines. Abstract: Three new biflavonoids to which we have accorded the trivial names calycopterone (1), isocalycopterone (2), and 4-demethylcalycopterone (3) and the known flavone 4',5-dihydroxy-3,3',6,7-tetramethoxyflavone (4) were isolated as cytotoxic constituents from the flowers of Calycopteris floribunda Lamk. (Combretaceae). Compounds 1-3 showed ... aid7883.table aid7883.tbin
7884 2 Title: 4-(Phenylamino)pyrrolopyrimidines: potent and selective, ATP site directed inhibitors of the EGF-receptor protein tyrosine kinase. Abstract: Using a pharmacophore model for ATP-competitive inhibitors interacting with the active site of the EGF-R protein tyrosine kinase (PTK), 4-(phenylamino)-7H-pyrrolo[2,3-d]pyrimidines have been identified as a novel class of potent EGF-R protein tyrosine kinase inhibitors. In an interactive process, this class of compounds was then optimized. 13, 14, 28... aid7884.table aid7884.tbin
7885 6 Title: Synthesis of alkyl chain-modified ether lipids and evaluation of their in vitro cytotoxicity. Abstract: A series of alkyl lysophospholipid (ALP) analogs of ET-18-OCH3 (1-O-octadecyl-2-O-methyl-rac-glycero-3-phosphocholine) containing modifications in the long C-1 chain has been synthesized and evaluated in human tumor cell line cytotoxicity assays. The compounds have also been evaluated in platelet activating factor (PAF) receptor agonism and hemolysis tests. Two modifications have been s... aid7885.table aid7885.tbin
7886 2 Title: A novel atypical retinoid endowed with proapoptotic and antitumor activity. Abstract: The novel atypical retinoid E-3-(4'-hydroxy-3'-adamantylbiphenyl-4-yl)acrylic acid (ST1926, 4) exhibited a potent antiproliferative activity on a large panel of human tumor cells. Despite almost complete loss of ability to activate RARs, the compound was an effective apoptosis inducer and surprisingly produced DNA damage, that likely contributes to the proapoptotic activity. Following oral administration... aid7886.table aid7886.tbin
7887 7 Title: 4'-Methyl derivatives of 5-MOP and 5-MOA: synthesis, photoreactivity, and photobiological activity. Abstract: The synthesis and photobiological activity of four new 4'-methyl derivatives of 5-MOP (5-methoxypsoralen) and 5-MOA (5-methoxyangelicin), i.e., 4,4'-dimethyl-5-methoxypsoralen, 3,4'-dimethyl-5-methoxypsoralen, 4,4'-dimethyl-5-methoxyangelicin, and 3,4'-dimethyl-5-methoxyangelicin, are described. All these compounds photobind efficiently to DNA. The DNA-photobinding process was inv... aid7887.table aid7887.tbin
7888 29 Title: Use of a pharmacophore model for the design of EGF-R tyrosine kinase inhibitors: 4-(phenylamino)pyrazolo[3,4-d]pyrimidines. Abstract: In the course of the random screening of a pool of CIBA chemicals, the two pyrazolopyrimidines 1 and 2 have been identified as fairly potent inhibitors of the EGF-R tyrosine kinase. Using a pharmacophore model for ATP-competitive inhibitors interacting with the active site of the EGF-R protein tyrosine kinase (PTK), the class of the pyrazolo[3,4-d]pyrimidin... aid7888.table aid7888.tbin
7889 27 Title: New pyrazolo[3,4-d]pyrimidines endowed with A431 antiproliferative activity and inhibitory properties of Src phosphorylation. Abstract: New 4-aminopyrazolo[3,4-d]pyrimidines bearing various substituents at the position 1 and 6, were synthesized. The new compounds showed antiproliferative activity toward A431 cells, were found to be inhibitors of Src phosphorylation, and induced apoptotic cell death. In particular, 2h was a better inhibitor of Src phosphorylation than the reference compoun... aid7889.table aid7889.tbin
7890 7 Inhibition of epidermal growth factor receptor (EGF-R) autophosphorylation in A431 cells aid7890.table aid7890.tbin
7891 51 Title: 4-Anilino-6,7-dialkoxyquinoline-3-carbonitrile inhibitors of epidermal growth factor receptor kinase and their bioisosteric relationship to the 4-anilino-6,7-dialkoxyquinazoline inhibitors. Abstract: The synthesis and SAR of a series of 4-anilino-6, 7-dialkoxyquinoline-3-carbonitrile inhibitors of epidermal growth factor receptor (EGF-R) kinase are described. Condensation of 3, 4-dialkoxyanilines with ethyl (ethoxymethylene)cyanoacetate followed by thermal cyclization gave, regiospecifica... aid7891.table aid7891.tbin
7892 7 Title: Syntheses and EGFR and HER-2 kinase inhibitory activities of 4-anilinoquinoline-3-carbonitriles: analogues of three important 4-anilinoquinazolines currently undergoing clinical evaluation as therapeutic antitumor agents. Abstract: The syntheses and biological evaluations of 4-anilinoquinoline-3-carbonitrile analogues of the three clinical lead 4-anilinoquinazolines Iressa, Tarceva, and CI-1033 are described. The EGFR and HER-2 kinase inhibitory activities and the cell growth inhibition o... aid7892.table aid7892.tbin
7893 11 Title: Synthesis and biological evaluation of benzamides and benzamidines: structural requirement of a pyrimidine ring for inhibition of EGFR tyrosine kinase. Abstract: The benzamides 1 and the benzamidines 2-3 were synthesized as the mimics of 4-anilinoquinazolines, which possess inhibition of epidermal growth factor receptor (EGFR) tyrosine kinase, and tested for cytotoxicity toward A431 and inhibitory activity toward autophosphorylation by the enzyme assay. High cell growth inhibition was obs... aid7893.table aid7893.tbin
7894 6 Title: Synthesis and biological evaluation of benzamides and benzamidines: structural requirement of a pyrimidine ring for inhibition of EGFR tyrosine kinase. Abstract: The benzamides 1 and the benzamidines 2-3 were synthesized as the mimics of 4-anilinoquinazolines, which possess inhibition of epidermal growth factor receptor (EGFR) tyrosine kinase, and tested for cytotoxicity toward A431 and inhibitory activity toward autophosphorylation by the enzyme assay. High cell growth inhibition was obs... aid7894.table aid7894.tbin
7895 5 Title: Synthesis and anti-tumor activity of novel combretastatins: combretocyclopentenones and related analogues. Abstract: A series of 2-(3,4,5-trimethoxyphenyl)-3-arylcyclopent-2-ene-1-ones (8a-8e) and their related analogues, including pentenone 9a, pentenol 10a, pentene 12a, and furane 15, were synthesized and evaluated for cytotoxicity against murine and human tumor cell lines. Compounds 8a-c, 8e and 9a showed strong cytotoxicity with IC(50) values in the range of 8-34ng/mL. Compound 8e exh... aid7895.table aid7895.tbin
7896 5 Title: Synthesis and anti-tumor activity of novel combretastatins: combretocyclopentenones and related analogues. Abstract: A series of 2-(3,4,5-trimethoxyphenyl)-3-arylcyclopent-2-ene-1-ones (8a-8e) and their related analogues, including pentenone 9a, pentenol 10a, pentene 12a, and furane 15, were synthesized and evaluated for cytotoxicity against murine and human tumor cell lines. Compounds 8a-c, 8e and 9a showed strong cytotoxicity with IC(50) values in the range of 8-34ng/mL. Compound 8e exh... aid7896.table aid7896.tbin
7897 1 Title: Design and synthesis of potent antitumor 5,4'-diaminoflavone derivatives based on metabolic considerations. Abstract: Recently, we reported that 5,4'-diaminoflavone (1) exhibits potent and specific growth-inhibitory activity against the estrogen receptor (ER)-positive human breast cancer cell line MCF-7. However, when compound 1 was incubated with S-9 mix, its metabolites were observed. Moreover, addition of S-9 mix to the medium caused the drastic decrease in activity of compound 1. Sinc... aid7897.table aid7897.tbin
7898 8 Title: Tumor-specific novel taxoid-monoclonal antibody conjugates. Abstract: Taxoids bearing methyldisulfanyl(alkanoyl) groups for taxoid-antibody immunoconjugates were designed, synthesized and their activities evaluated. A highly cytotoxic C-10 methyldisulfanylpropanoyl taxoid was conjugated to monoclonal antibodies recognizing the epidermal growth factor receptor (EGFR) expressed in human squamous cancers. These conjugates were shown to possess remarkable target-specific antitumor activity in... aid7898.table aid7898.tbin
7899 13 Title: 4-(Phenylamino)pyrrolopyrimidines: potent and selective, ATP site directed inhibitors of the EGF-receptor protein tyrosine kinase. Abstract: Using a pharmacophore model for ATP-competitive inhibitors interacting with the active site of the EGF-R protein tyrosine kinase (PTK), 4-(phenylamino)-7H-pyrrolo[2,3-d]pyrimidines have been identified as a novel class of potent EGF-R protein tyrosine kinase inhibitors. In an interactive process, this class of compounds was then optimized. 13, 14, 28... aid7899.table aid7899.tbin
7900 2 Title: Synthesis and biological activity of sulfonamide derivatives of epipodophyllotoxin. Abstract: A series of novel 4beta-substituted sulfonamide derivatives of 4'-O-demethyl-4-desoxypodophyllotoxin has been synthesized. Their effects on human DNA topoisomerase II and, in some cases, on tubulin polymerization were evaluated. Compounds 8a, 8c, 8f, 8g, 8n, 8q, 8r, and 8s and the synthetic precursor 4 are potent topoisomerase II poisons that induce double-stranded breaks in DNA, with either impr... aid7900.table aid7900.tbin
7901 10 Title: Dianilinophthalimides: potent and selective, ATP-competitive inhibitors of the EGF-receptor protein tyrosine kinase. Abstract: Dianilinophthalimides represent a novel class of inhibitors of the EGF-receptor protein tyrosine kinase with a high degree of selectivity versus other tyrosine and serine/threonine kinases. Steady-state kinetic analysis of compound 3, which showed potent inhibitory activity, revealed competitive type kinetics relative to ATP. Despite a highly symmetrical structure... aid7901.table aid7901.tbin
7902 2 Title: Tyrosine kinase inhibitors. 3. Structure-activity relationships for inhibition of protein tyrosine kinases by nuclear-substituted derivatives of 2,2'-dithiobis(1-methyl-N-phenyl-1H-indole-3-carboxamide). Abstract: A series of indole-substituted 2,2'-dithiobis(1-methyl-N-phenyl-1H-indole-3-carboxamides) were prepared and evaluated for their ability to inhibit the tyrosine kinase activity of both the epidermal growth factor receptor (EGFR) and the nonreceptor pp60v-src tyrosine kinase. The ... aid7902.table aid7902.tbin
7903 13 Title: Rational design of 4,5-disubstituted-5,7-dihydro-pyrrolo[2,3-d]pyrimidin-6-ones as a novel class of inhibitors of epidermal growth factor receptor (EGF-R) and Her2(p185(erbB)) tyrosine kinases. Abstract: A novel class of 4,5-disubstituted-5,7-dihydro-pyrrolo[2,3-d]pyrimidin-6-ones has been discovered as potent and selective inhibitors of the EGF-R tyrosine kinase family. These compounds selectively inhibit EGF-R kinase activity at low nanomolar concentration and tyrosine autophosphorylati... aid7903.table aid7903.tbin
7904 4 Title: New pyrazolo[3,4-d]pyrimidines endowed with A431 antiproliferative activity and inhibitory properties of Src phosphorylation. Abstract: New 4-aminopyrazolo[3,4-d]pyrimidines bearing various substituents at the position 1 and 6, were synthesized. The new compounds showed antiproliferative activity toward A431 cells, were found to be inhibitors of Src phosphorylation, and induced apoptotic cell death. In particular, 2h was a better inhibitor of Src phosphorylation than the reference compoun... aid7904.table aid7904.tbin
7905 4 Title: New pyrazolo[3,4-d]pyrimidines endowed with A431 antiproliferative activity and inhibitory properties of Src phosphorylation. Abstract: New 4-aminopyrazolo[3,4-d]pyrimidines bearing various substituents at the position 1 and 6, were synthesized. The new compounds showed antiproliferative activity toward A431 cells, were found to be inhibitors of Src phosphorylation, and induced apoptotic cell death. In particular, 2h was a better inhibitor of Src phosphorylation than the reference compoun... aid7905.table aid7905.tbin
7906 4 Title: New pyrazolo[3,4-d]pyrimidines endowed with A431 antiproliferative activity and inhibitory properties of Src phosphorylation. Abstract: New 4-aminopyrazolo[3,4-d]pyrimidines bearing various substituents at the position 1 and 6, were synthesized. The new compounds showed antiproliferative activity toward A431 cells, were found to be inhibitors of Src phosphorylation, and induced apoptotic cell death. In particular, 2h was a better inhibitor of Src phosphorylation than the reference compoun... aid7906.table aid7906.tbin
7907 2 Title: 4-Anilino-3-cyanobenzo[g]quinolines as kinase inhibitors. Abstract: A series of 4-anilino-3-cyanobenzo[g]quinolines was prepared as potent kinase inhibitors. Compared with their bicyclic 4-anilino-3-cyanoquinoline analogues, the tricyclic 4-anilino-3-cyanobenzo[g]quinolines are less active against EGF-R kinase, equally active against MAPK kinase (MEK), and more active against Src kinase. For Src kinase inhibition, the best activity is obtained when both the 7- and 8-positions are substitu... aid7907.table aid7907.tbin
7908 2 Title: Novel antiproliferative agents derived from lavendustin A. Abstract: The active partial structure of the potent tyrosine kinase inhibitor lavendustin A was derivatized in the search for novel agents against cellular proliferation. The antiproliferative potential of the new derivatives was determined using the human keratinocyte cell line HaCaT as the primary test system. Whereas the lavendustin A partial structure is ineffective in inhibiting cell proliferation, esterification of its carb... aid7908.table aid7908.tbin
7909 1 Title: Tyrosine kinase inhibitors. 15. 4-(Phenylamino)quinazoline and 4-(phenylamino)pyrido[d]pyrimidine acrylamides as irreversible inhibitors of the ATP binding site of the epidermal growth factor receptor. Abstract: A series of 6- and 7-acrylamide derivatives of the 4-(phenylamino)quinazoline and -pyridopyrimidine classes of epidermal growth factor receptor (EGFR) inhibitors were prepared from the corresponding amino compounds by reaction with either acryloyl chloride/base or acrylic acid/1-(... aid7909.table aid7909.tbin
7910 2 Title: Tyrosine kinase inhibitors. 15. 4-(Phenylamino)quinazoline and 4-(phenylamino)pyrido[d]pyrimidine acrylamides as irreversible inhibitors of the ATP binding site of the epidermal growth factor receptor. Abstract: A series of 6- and 7-acrylamide derivatives of the 4-(phenylamino)quinazoline and -pyridopyrimidine classes of epidermal growth factor receptor (EGFR) inhibitors were prepared from the corresponding amino compounds by reaction with either acryloyl chloride/base or acrylic acid/1-(... aid7910.table aid7910.tbin
7911 17 Title: Tyrosine kinase inhibitors. 15. 4-(Phenylamino)quinazoline and 4-(phenylamino)pyrido[d]pyrimidine acrylamides as irreversible inhibitors of the ATP binding site of the epidermal growth factor receptor. Abstract: A series of 6- and 7-acrylamide derivatives of the 4-(phenylamino)quinazoline and -pyridopyrimidine classes of epidermal growth factor receptor (EGFR) inhibitors were prepared from the corresponding amino compounds by reaction with either acryloyl chloride/base or acrylic acid/1-(... aid7911.table aid7911.tbin
7912 9 Title: Novel lipoamino acid- and liposaccharide-based system for peptide delivery: application for oral administration of tumor-selective somatostatin analogues. Abstract: Lipoamino acid and liposaccharide conjugates of somatostatin analogue TT-232 were synthesized to modify the physicochemical properties of the parent peptide. The relative position, the number, and the nature of the lipid and/or saccharide moieties were varied. Experiments in vitro clearly showed that many compounds modified at... aid7912.table aid7912.tbin
7913 1 Title: Novel lipoamino acid- and liposaccharide-based system for peptide delivery: application for oral administration of tumor-selective somatostatin analogues. Abstract: Lipoamino acid and liposaccharide conjugates of somatostatin analogue TT-232 were synthesized to modify the physicochemical properties of the parent peptide. The relative position, the number, and the nature of the lipid and/or saccharide moieties were varied. Experiments in vitro clearly showed that many compounds modified at... aid7913.table aid7913.tbin
7914 1 Title: Vacuolar-type H(+)-ATPase inhibitory activity of synthetic analogues of the concanamycins: is the hydrogen bond network involving the lactone carbonyl, the hemiacetal hydroxy group, and the C-19 hydroxy group essential for the biological activity of the concanamycins? Abstract: Synthetic analogue of the concanamycins, which lacks the hydrogen bond network existing in the concanamycin structure, retains vacuolar-type H(+)-ATPase (V-ATPase) inhibitory activity and induces apoptosis to cance... aid7914.table aid7914.tbin
7915 1 Title: Vacuolar-type H(+)-ATPase inhibitory activity of synthetic analogues of the concanamycins: is the hydrogen bond network involving the lactone carbonyl, the hemiacetal hydroxy group, and the C-19 hydroxy group essential for the biological activity of the concanamycins? Abstract: Synthetic analogue of the concanamycins, which lacks the hydrogen bond network existing in the concanamycin structure, retains vacuolar-type H(+)-ATPase (V-ATPase) inhibitory activity and induces apoptosis to cance... aid7915.table aid7915.tbin
7916 2 Title: Vacuolar-type H(+)-ATPase inhibitory activity of synthetic analogues of the concanamycins: is the hydrogen bond network involving the lactone carbonyl, the hemiacetal hydroxy group, and the C-19 hydroxy group essential for the biological activity of the concanamycins? Abstract: Synthetic analogue of the concanamycins, which lacks the hydrogen bond network existing in the concanamycin structure, retains vacuolar-type H(+)-ATPase (V-ATPase) inhibitory activity and induces apoptosis to cance... aid7916.table aid7916.tbin
7917 1 Title: Vacuolar-type H(+)-ATPase inhibitory activity of synthetic analogues of the concanamycins: is the hydrogen bond network involving the lactone carbonyl, the hemiacetal hydroxy group, and the C-19 hydroxy group essential for the biological activity of the concanamycins? Abstract: Synthetic analogue of the concanamycins, which lacks the hydrogen bond network existing in the concanamycin structure, retains vacuolar-type H(+)-ATPase (V-ATPase) inhibitory activity and induces apoptosis to cance... aid7917.table aid7917.tbin
7918 1 Title: Vacuolar-type H(+)-ATPase inhibitory activity of synthetic analogues of the concanamycins: is the hydrogen bond network involving the lactone carbonyl, the hemiacetal hydroxy group, and the C-19 hydroxy group essential for the biological activity of the concanamycins? Abstract: Synthetic analogue of the concanamycins, which lacks the hydrogen bond network existing in the concanamycin structure, retains vacuolar-type H(+)-ATPase (V-ATPase) inhibitory activity and induces apoptosis to cance... aid7918.table aid7918.tbin
7919 1 Title: Sulphonamide-based small molecule VLA-4 antagonists. Abstract: The discovery of a sulphonamide by-product with VLA-4 antagonistic activity led to a series of potent, small molecule VLA-4 antagonists. Synthesis, SAR and in vivo evaluation of the selected compound will be presented. aid7919.table aid7919.tbin
7920 2 In vitro half life at 1.5 -5.6ug/mL, 37 degree C in monkey plasma aid7920.table aid7920.tbin
7921 1 Title: (2R)-2-ethylchromane-2-carboxylic acids: discovery of novel PPARalpha/gamma dual agonists as antihyperglycemic and hypolipidemic agents. Abstract: A series of chromane-2-carboxylic acid derivatives was synthesized and evaluated for PPAR agonist activities. A structure-activity relationship was developed toward PPARalpha/gamma dual agonism. As a result, (2R)-7-(3-[2-chloro-4-(4-fluorophenoxy)phenoxy]propoxy)-2-ethylchromane-2-carboxylic acid (48) was identified as a potent, structurally no... aid7921.table aid7921.tbin
7922 2 Plasma half life in monkey aid7922.table aid7922.tbin
7923 1 Title: The discovery of sulfonylated dipeptides as potent VLA-4 antagonists. Abstract: Directed screening of a carboxylic acid-containing combinatorial library led to the discovery of potent inhibitors of the integrin VLA-4. Subsequent optimization by solid-phase synthesis afforded a series of sulfonylated dipeptide inhibitors with structural components that when combined in a single hybrid molecule gave a sub-nanomolar inhibitor as a lead for medicinal chemistry. Preliminary metabolic studies l... aid7923.table aid7923.tbin
7924 1 Title: Substituted N-(3,5-dichlorobenzenesulfonyl)-L-prolyl-phenylalanine analogues as potent VLA-4 antagonists. Abstract: A series of substituted N-(3,5-dichlorobenzenesulfonyl)-L-prolyl- and alpha-methyl-L-prolyl-phenylalanine derivatives was prepared as VLA-4/VCAM antagonists. The compounds showed excellent potency with a wide variety of neutral, polar, electron withdrawing or donating groups on the phenylalanine ring (IC50 approximately 1 nM). Heteroaryl ring substitution for phenylalanine w... aid7924.table aid7924.tbin
7925 1 Title: Substituted N-(3,5-dichlorobenzenesulfonyl)-L-prolyl-phenylalanine analogues as potent VLA-4 antagonists. Abstract: A series of substituted N-(3,5-dichlorobenzenesulfonyl)-L-prolyl- and alpha-methyl-L-prolyl-phenylalanine derivatives was prepared as VLA-4/VCAM antagonists. The compounds showed excellent potency with a wide variety of neutral, polar, electron withdrawing or donating groups on the phenylalanine ring (IC50 approximately 1 nM). Heteroaryl ring substitution for phenylalanine w... aid7925.table aid7925.tbin
7926 1 Title: BMS-196085: a potent and selective full agonist of the human beta(3) adrenergic receptor. Abstract: A series of 4-hydroxy-3-methylsulfonanilido-1,2-diarylethylamines were prepared and evaluated for their human beta(3) adrenergic receptor agonist activity. SAR studies led to the identification of BMS-196085 (25), a potent beta(3) full agonist (K(i)=21 nM, 95% activation) with partial agonist (45%) activity at the beta(1) receptor. Based on its desirable in vitro and in vivo properties, BMS... aid7926.table aid7926.tbin
7927 1 Title: Endothelin antagonists: discovery of EMD 122946, a highly potent and orally active ETA selective antagonist. Abstract: The discovery, in vitro and in vivo studies of the highly potent ETA antagonist EMD 122946 are presented. This compound displayed high binding affinity and functional antagonism [IC50 = 3.2 x 10(-11) M, pA2 = 9.5 (ETA)] and inhibited the ET-1 induced pressor response in pithed rats with an ED50 of 0.3 mg/kg. In conscious spontaneously hypertensive rats and in DOCA-salt hy... aid7927.table aid7927.tbin
7928 1 Title: Anti-HIV-1 activities and pharmacokinetics of new arylpiperazinyl fluoroquinolones. Abstract: Anti-HIV-1 activities and pharmacokinetics of a series of novel arylpiperazinyl fluoroquinolones are reported. Modification at the C-8 position with a trifluoromethyl group was superior to that with a difluoromethoxy group to achieve higher anti-HIV-1 activity. Two compounds studied exhibited quite high anti-HIV-1 activities (IC(50)&lt;50 nM) in vitro and high bioavailabilities (BA&gt;90%) in mon... aid7928.table aid7928.tbin
7929 2 Title: Anti-HIV-1 activities and pharmacokinetics of new arylpiperazinyl fluoroquinolones. Abstract: Anti-HIV-1 activities and pharmacokinetics of a series of novel arylpiperazinyl fluoroquinolones are reported. Modification at the C-8 position with a trifluoromethyl group was superior to that with a difluoromethoxy group to achieve higher anti-HIV-1 activity. Two compounds studied exhibited quite high anti-HIV-1 activities (IC(50)&lt;50 nM) in vitro and high bioavailabilities (BA&gt;90%) in mon... aid7929.table aid7929.tbin
7930 3 Title: Anti-HIV-1 activities and pharmacokinetics of new arylpiperazinyl fluoroquinolones. Abstract: Anti-HIV-1 activities and pharmacokinetics of a series of novel arylpiperazinyl fluoroquinolones are reported. Modification at the C-8 position with a trifluoromethyl group was superior to that with a difluoromethoxy group to achieve higher anti-HIV-1 activity. Two compounds studied exhibited quite high anti-HIV-1 activities (IC(50)&lt;50 nM) in vitro and high bioavailabilities (BA&gt;90%) in mon... aid7930.table aid7930.tbin
7931 4 Title: Synthesis of carbon-11 labeled iodinated cocaine derivatives and their distribution in baboon brain measured using positron emission tomography. Abstract: Three iodine-substituted derivatives of cocaine, methyl esters of 3-[(2'-, 3'-, and 4'-iodobenzoyl)oxy]-8-methyl-[1R-(exo,exo)]-8- azabicyclo[3.2.1]octane-2 carboxylic acid (2a-c), were synthesized and subjected to N-demethylation to give the corresponding noriodococaines 3-[(2'-,3'-, and 4'-iodobenzoyl)oxy]-[1R-(exo,exo)]-8- azabicyclo... aid7931.table aid7931.tbin
7932 4 Title: Synthesis of carbon-11 labeled iodinated cocaine derivatives and their distribution in baboon brain measured using positron emission tomography. Abstract: Three iodine-substituted derivatives of cocaine, methyl esters of 3-[(2'-, 3'-, and 4'-iodobenzoyl)oxy]-8-methyl-[1R-(exo,exo)]-8- azabicyclo[3.2.1]octane-2 carboxylic acid (2a-c), were synthesized and subjected to N-demethylation to give the corresponding noriodococaines 3-[(2'-,3'-, and 4'-iodobenzoyl)oxy]-[1R-(exo,exo)]-8- azabicyclo... aid7932.table aid7932.tbin
7933 4 Title: Synthesis of carbon-11 labeled iodinated cocaine derivatives and their distribution in baboon brain measured using positron emission tomography. Abstract: Three iodine-substituted derivatives of cocaine, methyl esters of 3-[(2'-, 3'-, and 4'-iodobenzoyl)oxy]-8-methyl-[1R-(exo,exo)]-8- azabicyclo[3.2.1]octane-2 carboxylic acid (2a-c), were synthesized and subjected to N-demethylation to give the corresponding noriodococaines 3-[(2'-,3'-, and 4'-iodobenzoyl)oxy]-[1R-(exo,exo)]-8- azabicyclo... aid7933.table aid7933.tbin
7934 4 Title: Synthesis of carbon-11 labeled iodinated cocaine derivatives and their distribution in baboon brain measured using positron emission tomography. Abstract: Three iodine-substituted derivatives of cocaine, methyl esters of 3-[(2'-, 3'-, and 4'-iodobenzoyl)oxy]-8-methyl-[1R-(exo,exo)]-8- azabicyclo[3.2.1]octane-2 carboxylic acid (2a-c), were synthesized and subjected to N-demethylation to give the corresponding noriodococaines 3-[(2'-,3'-, and 4'-iodobenzoyl)oxy]-[1R-(exo,exo)]-8- azabicyclo... aid7934.table aid7934.tbin
7935 4 Title: Synthesis of carbon-11 labeled iodinated cocaine derivatives and their distribution in baboon brain measured using positron emission tomography. Abstract: Three iodine-substituted derivatives of cocaine, methyl esters of 3-[(2'-, 3'-, and 4'-iodobenzoyl)oxy]-8-methyl-[1R-(exo,exo)]-8- azabicyclo[3.2.1]octane-2 carboxylic acid (2a-c), were synthesized and subjected to N-demethylation to give the corresponding noriodococaines 3-[(2'-,3'-, and 4'-iodobenzoyl)oxy]-[1R-(exo,exo)]-8- azabicyclo... aid7935.table aid7935.tbin
7936 4 Title: Synthesis of carbon-11 labeled iodinated cocaine derivatives and their distribution in baboon brain measured using positron emission tomography. Abstract: Three iodine-substituted derivatives of cocaine, methyl esters of 3-[(2'-, 3'-, and 4'-iodobenzoyl)oxy]-8-methyl-[1R-(exo,exo)]-8- azabicyclo[3.2.1]octane-2 carboxylic acid (2a-c), were synthesized and subjected to N-demethylation to give the corresponding noriodococaines 3-[(2'-,3'-, and 4'-iodobenzoyl)oxy]-[1R-(exo,exo)]-8- azabicyclo... aid7936.table aid7936.tbin
7937 4 Title: Synthesis of carbon-11 labeled iodinated cocaine derivatives and their distribution in baboon brain measured using positron emission tomography. Abstract: Three iodine-substituted derivatives of cocaine, methyl esters of 3-[(2'-, 3'-, and 4'-iodobenzoyl)oxy]-8-methyl-[1R-(exo,exo)]-8- azabicyclo[3.2.1]octane-2 carboxylic acid (2a-c), were synthesized and subjected to N-demethylation to give the corresponding noriodococaines 3-[(2'-,3'-, and 4'-iodobenzoyl)oxy]-[1R-(exo,exo)]-8- azabicyclo... aid7937.table aid7937.tbin
7938 4 Title: Synthesis of carbon-11 labeled iodinated cocaine derivatives and their distribution in baboon brain measured using positron emission tomography. Abstract: Three iodine-substituted derivatives of cocaine, methyl esters of 3-[(2'-, 3'-, and 4'-iodobenzoyl)oxy]-8-methyl-[1R-(exo,exo)]-8- azabicyclo[3.2.1]octane-2 carboxylic acid (2a-c), were synthesized and subjected to N-demethylation to give the corresponding noriodococaines 3-[(2'-,3'-, and 4'-iodobenzoyl)oxy]-[1R-(exo,exo)]-8- azabicyclo... aid7938.table aid7938.tbin
7939 4 Title: Synthesis of carbon-11 labeled iodinated cocaine derivatives and their distribution in baboon brain measured using positron emission tomography. Abstract: Three iodine-substituted derivatives of cocaine, methyl esters of 3-[(2'-, 3'-, and 4'-iodobenzoyl)oxy]-8-methyl-[1R-(exo,exo)]-8- azabicyclo[3.2.1]octane-2 carboxylic acid (2a-c), were synthesized and subjected to N-demethylation to give the corresponding noriodococaines 3-[(2'-,3'-, and 4'-iodobenzoyl)oxy]-[1R-(exo,exo)]-8- azabicyclo... aid7939.table aid7939.tbin
7940 4 Title: Synthesis of carbon-11 labeled iodinated cocaine derivatives and their distribution in baboon brain measured using positron emission tomography. Abstract: Three iodine-substituted derivatives of cocaine, methyl esters of 3-[(2'-, 3'-, and 4'-iodobenzoyl)oxy]-8-methyl-[1R-(exo,exo)]-8- azabicyclo[3.2.1]octane-2 carboxylic acid (2a-c), were synthesized and subjected to N-demethylation to give the corresponding noriodococaines 3-[(2'-,3'-, and 4'-iodobenzoyl)oxy]-[1R-(exo,exo)]-8- azabicyclo... aid7940.table aid7940.tbin
7941 4 Title: Synthesis of carbon-11 labeled iodinated cocaine derivatives and their distribution in baboon brain measured using positron emission tomography. Abstract: Three iodine-substituted derivatives of cocaine, methyl esters of 3-[(2'-, 3'-, and 4'-iodobenzoyl)oxy]-8-methyl-[1R-(exo,exo)]-8- azabicyclo[3.2.1]octane-2 carboxylic acid (2a-c), were synthesized and subjected to N-demethylation to give the corresponding noriodococaines 3-[(2'-,3'-, and 4'-iodobenzoyl)oxy]-[1R-(exo,exo)]-8- azabicyclo... aid7941.table aid7941.tbin
7942 4 Title: Synthesis of carbon-11 labeled iodinated cocaine derivatives and their distribution in baboon brain measured using positron emission tomography. Abstract: Three iodine-substituted derivatives of cocaine, methyl esters of 3-[(2'-, 3'-, and 4'-iodobenzoyl)oxy]-8-methyl-[1R-(exo,exo)]-8- azabicyclo[3.2.1]octane-2 carboxylic acid (2a-c), were synthesized and subjected to N-demethylation to give the corresponding noriodococaines 3-[(2'-,3'-, and 4'-iodobenzoyl)oxy]-[1R-(exo,exo)]-8- azabicyclo... aid7942.table aid7942.tbin
7943 4 Title: Synthesis of carbon-11 labeled iodinated cocaine derivatives and their distribution in baboon brain measured using positron emission tomography. Abstract: Three iodine-substituted derivatives of cocaine, methyl esters of 3-[(2'-, 3'-, and 4'-iodobenzoyl)oxy]-8-methyl-[1R-(exo,exo)]-8- azabicyclo[3.2.1]octane-2 carboxylic acid (2a-c), were synthesized and subjected to N-demethylation to give the corresponding noriodococaines 3-[(2'-,3'-, and 4'-iodobenzoyl)oxy]-[1R-(exo,exo)]-8- azabicyclo... aid7943.table aid7943.tbin
7944 4 Title: Synthesis of carbon-11 labeled iodinated cocaine derivatives and their distribution in baboon brain measured using positron emission tomography. Abstract: Three iodine-substituted derivatives of cocaine, methyl esters of 3-[(2'-, 3'-, and 4'-iodobenzoyl)oxy]-8-methyl-[1R-(exo,exo)]-8- azabicyclo[3.2.1]octane-2 carboxylic acid (2a-c), were synthesized and subjected to N-demethylation to give the corresponding noriodococaines 3-[(2'-,3'-, and 4'-iodobenzoyl)oxy]-[1R-(exo,exo)]-8- azabicyclo... aid7944.table aid7944.tbin
7945 4 Title: Synthesis of carbon-11 labeled iodinated cocaine derivatives and their distribution in baboon brain measured using positron emission tomography. Abstract: Three iodine-substituted derivatives of cocaine, methyl esters of 3-[(2'-, 3'-, and 4'-iodobenzoyl)oxy]-8-methyl-[1R-(exo,exo)]-8- azabicyclo[3.2.1]octane-2 carboxylic acid (2a-c), were synthesized and subjected to N-demethylation to give the corresponding noriodococaines 3-[(2'-,3'-, and 4'-iodobenzoyl)oxy]-[1R-(exo,exo)]-8- azabicyclo... aid7945.table aid7945.tbin
7946 4 Title: Synthesis of carbon-11 labeled iodinated cocaine derivatives and their distribution in baboon brain measured using positron emission tomography. Abstract: Three iodine-substituted derivatives of cocaine, methyl esters of 3-[(2'-, 3'-, and 4'-iodobenzoyl)oxy]-8-methyl-[1R-(exo,exo)]-8- azabicyclo[3.2.1]octane-2 carboxylic acid (2a-c), were synthesized and subjected to N-demethylation to give the corresponding noriodococaines 3-[(2'-,3'-, and 4'-iodobenzoyl)oxy]-[1R-(exo,exo)]-8- azabicyclo... aid7946.table aid7946.tbin
7947 1 Title: Synthesis and biological evaluation of menthol-based derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1). Abstract: Compound 1 was identified by high throughput screening as a novel PAI-1 inhibitor. Optimization of the B and C-segments of 1 resulted in a series of structurally simplified compounds with improved potency. The synthesis and SAR data of these compounds are presented here. aid7947.table aid7947.tbin
7948 1 Title: Synthesis, characterization, and preliminary in vivo tests of new poly(ethylene glycol) conjugates of the antitumor agent 10-amino-7-ethylcamptothecin. Abstract: Despite the high antitumor activity of camptothecins, few derivatives have been developed and tested for human treatment of solid tumors, due to unpredictable toxicity mainly connected to their poor water solubility. We report the conjugation of the antitumor agent 10-amino-7-hydroxy camptothecin (SN-392) to linear or branched po... aid7948.table aid7948.tbin
7949 1 Title: Potent inhibitors of protein farnesyltransferase: heteroarenes as cysteine replacements. Abstract: Synthesis and biological evaluation of heteroarenes as reduced cysteine replacements are described. Of the heteroaryl groups examined with respect to FT inhibitor FTI-276 (1), pyridyl was the replacement found to be most effective. Substitutions at C4 of the pyridyl moiety did not affect the in vitro activity. Compound 9a was found to have moderate in vivo bioavailability. aid7949.table aid7949.tbin
7950 1 Title: Potent inhibitors of protein farnesyltransferase: heteroarenes as cysteine replacements. Abstract: Synthesis and biological evaluation of heteroarenes as reduced cysteine replacements are described. Of the heteroaryl groups examined with respect to FT inhibitor FTI-276 (1), pyridyl was the replacement found to be most effective. Substitutions at C4 of the pyridyl moiety did not affect the in vitro activity. Compound 9a was found to have moderate in vivo bioavailability. aid7950.table aid7950.tbin
7951 1 Title: Potent inhibitors of protein farnesyltransferase: heteroarenes as cysteine replacements. Abstract: Synthesis and biological evaluation of heteroarenes as reduced cysteine replacements are described. Of the heteroaryl groups examined with respect to FT inhibitor FTI-276 (1), pyridyl was the replacement found to be most effective. Substitutions at C4 of the pyridyl moiety did not affect the in vitro activity. Compound 9a was found to have moderate in vivo bioavailability. aid7951.table aid7951.tbin
7952 1 Title: Potent inhibitors of protein farnesyltransferase: heteroarenes as cysteine replacements. Abstract: Synthesis and biological evaluation of heteroarenes as reduced cysteine replacements are described. Of the heteroaryl groups examined with respect to FT inhibitor FTI-276 (1), pyridyl was the replacement found to be most effective. Substitutions at C4 of the pyridyl moiety did not affect the in vitro activity. Compound 9a was found to have moderate in vivo bioavailability. aid7952.table aid7952.tbin
7953 1 Title: Potent inhibitors of protein farnesyltransferase: heteroarenes as cysteine replacements. Abstract: Synthesis and biological evaluation of heteroarenes as reduced cysteine replacements are described. Of the heteroaryl groups examined with respect to FT inhibitor FTI-276 (1), pyridyl was the replacement found to be most effective. Substitutions at C4 of the pyridyl moiety did not affect the in vitro activity. Compound 9a was found to have moderate in vivo bioavailability. aid7953.table aid7953.tbin
7954 1 Title: Potent inhibitors of protein farnesyltransferase: heteroarenes as cysteine replacements. Abstract: Synthesis and biological evaluation of heteroarenes as reduced cysteine replacements are described. Of the heteroaryl groups examined with respect to FT inhibitor FTI-276 (1), pyridyl was the replacement found to be most effective. Substitutions at C4 of the pyridyl moiety did not affect the in vitro activity. Compound 9a was found to have moderate in vivo bioavailability. aid7954.table aid7954.tbin
7955 1 Title: Potent inhibitors of protein farnesyltransferase: heteroarenes as cysteine replacements. Abstract: Synthesis and biological evaluation of heteroarenes as reduced cysteine replacements are described. Of the heteroaryl groups examined with respect to FT inhibitor FTI-276 (1), pyridyl was the replacement found to be most effective. Substitutions at C4 of the pyridyl moiety did not affect the in vitro activity. Compound 9a was found to have moderate in vivo bioavailability. aid7955.table aid7955.tbin
7956 2 Title: Synthesis of (R)-(-)- and (S)-(+)-4-fluorodeprenyl and (R)-(-)- and (S)-(+)-[N-11C-methyl]-4-fluorodeprenyl and positron emission tomography studies in baboon brain. Abstract: (R)-(-)- and (S)-(+)-alpha-methyl-beta-4-(fluorophenyl)-N-methyl-N- propynylethylamine [R)-(-)- and (S)-(+)-4-fluorodeprenyl) were synthesized via the reaction of 4-fluorobenzaldehyde with nitroethane followed by reduction with lithium aluminum hydride to produce racemic 4-fluoroamphetamine, which was resolved by re... aid7956.table aid7956.tbin
7957 3 Title: Synthesis of (R)-(-)- and (S)-(+)-4-fluorodeprenyl and (R)-(-)- and (S)-(+)-[N-11C-methyl]-4-fluorodeprenyl and positron emission tomography studies in baboon brain. Abstract: (R)-(-)- and (S)-(+)-alpha-methyl-beta-4-(fluorophenyl)-N-methyl-N- propynylethylamine [R)-(-)- and (S)-(+)-4-fluorodeprenyl) were synthesized via the reaction of 4-fluorobenzaldehyde with nitroethane followed by reduction with lithium aluminum hydride to produce racemic 4-fluoroamphetamine, which was resolved by re... aid7957.table aid7957.tbin
7958 3 Title: Synthesis of (R)-(-)- and (S)-(+)-4-fluorodeprenyl and (R)-(-)- and (S)-(+)-[N-11C-methyl]-4-fluorodeprenyl and positron emission tomography studies in baboon brain. Abstract: (R)-(-)- and (S)-(+)-alpha-methyl-beta-4-(fluorophenyl)-N-methyl-N- propynylethylamine [R)-(-)- and (S)-(+)-4-fluorodeprenyl) were synthesized via the reaction of 4-fluorobenzaldehyde with nitroethane followed by reduction with lithium aluminum hydride to produce racemic 4-fluoroamphetamine, which was resolved by re... aid7958.table aid7958.tbin
7959 3 Title: Synthesis of (R)-(-)- and (S)-(+)-4-fluorodeprenyl and (R)-(-)- and (S)-(+)-[N-11C-methyl]-4-fluorodeprenyl and positron emission tomography studies in baboon brain. Abstract: (R)-(-)- and (S)-(+)-alpha-methyl-beta-4-(fluorophenyl)-N-methyl-N- propynylethylamine [R)-(-)- and (S)-(+)-4-fluorodeprenyl) were synthesized via the reaction of 4-fluorobenzaldehyde with nitroethane followed by reduction with lithium aluminum hydride to produce racemic 4-fluoroamphetamine, which was resolved by re... aid7959.table aid7959.tbin
7960 3 Title: Synthesis of (R)-(-)- and (S)-(+)-4-fluorodeprenyl and (R)-(-)- and (S)-(+)-[N-11C-methyl]-4-fluorodeprenyl and positron emission tomography studies in baboon brain. Abstract: (R)-(-)- and (S)-(+)-alpha-methyl-beta-4-(fluorophenyl)-N-methyl-N- propynylethylamine [R)-(-)- and (S)-(+)-4-fluorodeprenyl) were synthesized via the reaction of 4-fluorobenzaldehyde with nitroethane followed by reduction with lithium aluminum hydride to produce racemic 4-fluoroamphetamine, which was resolved by re... aid7960.table aid7960.tbin
7961 3 Title: Synthesis of (R)-(-)- and (S)-(+)-4-fluorodeprenyl and (R)-(-)- and (S)-(+)-[N-11C-methyl]-4-fluorodeprenyl and positron emission tomography studies in baboon brain. Abstract: (R)-(-)- and (S)-(+)-alpha-methyl-beta-4-(fluorophenyl)-N-methyl-N- propynylethylamine [R)-(-)- and (S)-(+)-4-fluorodeprenyl) were synthesized via the reaction of 4-fluorobenzaldehyde with nitroethane followed by reduction with lithium aluminum hydride to produce racemic 4-fluoroamphetamine, which was resolved by re... aid7961.table aid7961.tbin
7962 3 Title: Synthesis of (R)-(-)- and (S)-(+)-4-fluorodeprenyl and (R)-(-)- and (S)-(+)-[N-11C-methyl]-4-fluorodeprenyl and positron emission tomography studies in baboon brain. Abstract: (R)-(-)- and (S)-(+)-alpha-methyl-beta-4-(fluorophenyl)-N-methyl-N- propynylethylamine [R)-(-)- and (S)-(+)-4-fluorodeprenyl) were synthesized via the reaction of 4-fluorobenzaldehyde with nitroethane followed by reduction with lithium aluminum hydride to produce racemic 4-fluoroamphetamine, which was resolved by re... aid7962.table aid7962.tbin
7963 2 Title: Synthesis of (R)-(-)- and (S)-(+)-4-fluorodeprenyl and (R)-(-)- and (S)-(+)-[N-11C-methyl]-4-fluorodeprenyl and positron emission tomography studies in baboon brain. Abstract: (R)-(-)- and (S)-(+)-alpha-methyl-beta-4-(fluorophenyl)-N-methyl-N- propynylethylamine [R)-(-)- and (S)-(+)-4-fluorodeprenyl) were synthesized via the reaction of 4-fluorobenzaldehyde with nitroethane followed by reduction with lithium aluminum hydride to produce racemic 4-fluoroamphetamine, which was resolved by re... aid7963.table aid7963.tbin
7964 2 Title: Potent, orally bioavailable somatostatin agonists: good absorption achieved by urea backbone cyclization. Abstract: Backbone cyclization of urea-based somatostatin agonists resulted in novel, orally bioavailable agonists. Binding assays confirmed that the resulting conformationally constrained cyclic ureas retained the potency of their acyclic counterparts. SAR studies subsequently led to highly potent analogs, selective for receptor subtype 2, and having good oral bioavailability. aid7964.table aid7964.tbin
7965 1 Title: Potent, orally bioavailable somatostatin agonists: good absorption achieved by urea backbone cyclization. Abstract: Backbone cyclization of urea-based somatostatin agonists resulted in novel, orally bioavailable agonists. Binding assays confirmed that the resulting conformationally constrained cyclic ureas retained the potency of their acyclic counterparts. SAR studies subsequently led to highly potent analogs, selective for receptor subtype 2, and having good oral bioavailability. aid7965.table aid7965.tbin
7966 2 Title: Potent, orally bioavailable somatostatin agonists: good absorption achieved by urea backbone cyclization. Abstract: Backbone cyclization of urea-based somatostatin agonists resulted in novel, orally bioavailable agonists. Binding assays confirmed that the resulting conformationally constrained cyclic ureas retained the potency of their acyclic counterparts. SAR studies subsequently led to highly potent analogs, selective for receptor subtype 2, and having good oral bioavailability. aid7966.table aid7966.tbin
7967 5 Title: Stereospecific synthesis of chiral metabolites of ifosfamide and their determination in the urine. Abstract: The stereospecific synthesis of two chiral metabolites of ifosfamide (2), 4-ketoifosfamide (5) and 2-amino-3-(2-chloroethyl)tetrahydro-2H-1,3, 2-oxazaphosphorine 2-oxide (9), is reported. The absolute configuration of both compounds was assigned on the basis of chemical correlation. In addition, two other achiral metabolites of 2, carboxyifosfamide (6) and IPAM (7), were synthesize... aid7967.table aid7967.tbin
7968 5 Title: Stereospecific synthesis of chiral metabolites of ifosfamide and their determination in the urine. Abstract: The stereospecific synthesis of two chiral metabolites of ifosfamide (2), 4-ketoifosfamide (5) and 2-amino-3-(2-chloroethyl)tetrahydro-2H-1,3, 2-oxazaphosphorine 2-oxide (9), is reported. The absolute configuration of both compounds was assigned on the basis of chemical correlation. In addition, two other achiral metabolites of 2, carboxyifosfamide (6) and IPAM (7), were synthesize... aid7968.table aid7968.tbin
7969 5 Title: Stereospecific synthesis of chiral metabolites of ifosfamide and their determination in the urine. Abstract: The stereospecific synthesis of two chiral metabolites of ifosfamide (2), 4-ketoifosfamide (5) and 2-amino-3-(2-chloroethyl)tetrahydro-2H-1,3, 2-oxazaphosphorine 2-oxide (9), is reported. The absolute configuration of both compounds was assigned on the basis of chemical correlation. In addition, two other achiral metabolites of 2, carboxyifosfamide (6) and IPAM (7), were synthesize... aid7969.table aid7969.tbin
7970 5 Title: Stereospecific synthesis of chiral metabolites of ifosfamide and their determination in the urine. Abstract: The stereospecific synthesis of two chiral metabolites of ifosfamide (2), 4-ketoifosfamide (5) and 2-amino-3-(2-chloroethyl)tetrahydro-2H-1,3, 2-oxazaphosphorine 2-oxide (9), is reported. The absolute configuration of both compounds was assigned on the basis of chemical correlation. In addition, two other achiral metabolites of 2, carboxyifosfamide (6) and IPAM (7), were synthesize... aid7970.table aid7970.tbin
7971 5 Title: Stereospecific synthesis of chiral metabolites of ifosfamide and their determination in the urine. Abstract: The stereospecific synthesis of two chiral metabolites of ifosfamide (2), 4-ketoifosfamide (5) and 2-amino-3-(2-chloroethyl)tetrahydro-2H-1,3, 2-oxazaphosphorine 2-oxide (9), is reported. The absolute configuration of both compounds was assigned on the basis of chemical correlation. In addition, two other achiral metabolites of 2, carboxyifosfamide (6) and IPAM (7), were synthesize... aid7971.table aid7971.tbin
7972 5 Title: Stereospecific synthesis of chiral metabolites of ifosfamide and their determination in the urine. Abstract: The stereospecific synthesis of two chiral metabolites of ifosfamide (2), 4-ketoifosfamide (5) and 2-amino-3-(2-chloroethyl)tetrahydro-2H-1,3, 2-oxazaphosphorine 2-oxide (9), is reported. The absolute configuration of both compounds was assigned on the basis of chemical correlation. In addition, two other achiral metabolites of 2, carboxyifosfamide (6) and IPAM (7), were synthesize... aid7972.table aid7972.tbin
7973 5 Title: Stereospecific synthesis of chiral metabolites of ifosfamide and their determination in the urine. Abstract: The stereospecific synthesis of two chiral metabolites of ifosfamide (2), 4-ketoifosfamide (5) and 2-amino-3-(2-chloroethyl)tetrahydro-2H-1,3, 2-oxazaphosphorine 2-oxide (9), is reported. The absolute configuration of both compounds was assigned on the basis of chemical correlation. In addition, two other achiral metabolites of 2, carboxyifosfamide (6) and IPAM (7), were synthesize... aid7973.table aid7973.tbin
7974 8 Title: Graphical model for estimating oral bioavailability of drugs in humans and other species from their Caco-2 permeability and in vitro liver enzyme metabolic stability rates. Abstract: This paper describes a graphical model for simplifying in vitro absorption, metabolism, distribution, and elimination (ADME) data analysis through the estimation of oral bioavailability (%F) of drugs in humans and other species. This model integrates existing in vitro ADME data, such as Caco-2 permeability (P... aid7974.table aid7974.tbin
7975 2 Title: Studies on intestinal permeability of cirrhotic patients by analysis lactulose and mannitol in urine with HPLC/RID/MS. Abstract: The method for separation and determination of lactulose (L) and mannitol (M) in urine was developed by HPLC with a refractive index detector (RID). The linearity ranged from 5 to 1000 microg/mL for L and M, respectively. Recoveries ranged from 93.1% to 97.1%. The intra- and inter-day relative standard deviations of peak area were between 0.8-1.4% (n=3) and 1.4-... aid7975.table aid7975.tbin
7976 2 Title: Studies on intestinal permeability of cirrhotic patients by analysis lactulose and mannitol in urine with HPLC/RID/MS. Abstract: The method for separation and determination of lactulose (L) and mannitol (M) in urine was developed by HPLC with a refractive index detector (RID). The linearity ranged from 5 to 1000 microg/mL for L and M, respectively. Recoveries ranged from 93.1% to 97.1%. The intra- and inter-day relative standard deviations of peak area were between 0.8-1.4% (n=3) and 1.4-... aid7976.table aid7976.tbin
7977 2 Title: Studies on intestinal permeability of cirrhotic patients by analysis lactulose and mannitol in urine with HPLC/RID/MS. Abstract: The method for separation and determination of lactulose (L) and mannitol (M) in urine was developed by HPLC with a refractive index detector (RID). The linearity ranged from 5 to 1000 microg/mL for L and M, respectively. Recoveries ranged from 93.1% to 97.1%. The intra- and inter-day relative standard deviations of peak area were between 0.8-1.4% (n=3) and 1.4-... aid7977.table aid7977.tbin
7978 5 Title: Affinity and intrinsic efficacy (IE) of 5'-carbamoyl adenosine analogues for the A1 adenosine receptor--efforts towards the discovery of a chronic ventricular rate control agent for the treatment of atrial fibrillation (AF). Abstract: The SAR for the affinity to the A(1) adenosine receptor and relative intrinsic efficacy (IE, [(35)S]-GTPgammaS binding) of a series of 5'-carbamate and 5'-thionocarbamate derivatives of tecadenoson is described. Based on this SAR, selected compounds were eva... aid7978.table aid7978.tbin
7979 33 Title: New fatty acid oxidation inhibitors with increased potency lacking adverse metabolic and electrophysiological properties. Abstract: New inhibitors of palmitoylCoA oxidation were synthesized based on a structurally novel lead, CVT-3501 (1). Investigation of structure-activity relationships was conducted with respect to potency of inhibition of cardiac mitochondrial palmitoylCoA oxidation and metabolic stability. Potent and metabolically stable analogues 33, 42, and 43 were evaluated in vit... aid7979.table aid7979.tbin
7980 11 Title: New fatty acid oxidation inhibitors with increased potency lacking adverse metabolic and electrophysiological properties. Abstract: New inhibitors of palmitoylCoA oxidation were synthesized based on a structurally novel lead, CVT-3501 (1). Investigation of structure-activity relationships was conducted with respect to potency of inhibition of cardiac mitochondrial palmitoylCoA oxidation and metabolic stability. Potent and metabolically stable analogues 33, 42, and 43 were evaluated in vit... aid7980.table aid7980.tbin
7981 18 Title: Enhancement of pharmacokinetic properties and in vivo efficacy of benzylidene ketal M(2) muscarinic receptor antagonists via benzamide modification. Abstract: We previously reported the initial discovery of a novel class of stabilized benzylidene ketal M(2) receptor antagonists. This paper discusses new analogues consisting of benzamide modifications which not only improved M(2) receptor affinity and selectivity, but also enhanced the pharmacokinetic properties of the series. These change... aid7981.table aid7981.tbin
7982 1 Title: Enhancement of pharmacokinetic properties and in vivo efficacy of benzylidene ketal M(2) muscarinic receptor antagonists via benzamide modification. Abstract: We previously reported the initial discovery of a novel class of stabilized benzylidene ketal M(2) receptor antagonists. This paper discusses new analogues consisting of benzamide modifications which not only improved M(2) receptor affinity and selectivity, but also enhanced the pharmacokinetic properties of the series. These change... aid7982.table aid7982.tbin
7983 2 Title: Enhancement of pharmacokinetic properties and in vivo efficacy of benzylidene ketal M(2) muscarinic receptor antagonists via benzamide modification. Abstract: We previously reported the initial discovery of a novel class of stabilized benzylidene ketal M(2) receptor antagonists. This paper discusses new analogues consisting of benzamide modifications which not only improved M(2) receptor affinity and selectivity, but also enhanced the pharmacokinetic properties of the series. These change... aid7983.table aid7983.tbin
7984 10 Title: Substituted benzocyloheptenes as potent and selective alpha(v) integrin antagonists. Abstract: A novel series of potent and specific alpha(v) integrin antagonists has been obtained by aminoalkyl substitutions on benzocyloheptene acetic acids as a rigid GD bioisostere. The preferred compounds 1-2, 1-3 and 1-8, showed nano- to subnanomolar IC(50) values on alpha(v)beta(3) and alpha(v)beta(5) integrins, with favorable pharmacokinetics. aid7984.table aid7984.tbin
7985 2 Title: Identification of a stable chymase inhibitor using a pharmacophore-Based database search. Abstract: In general, serine protease chymase inhibitors readily decompose in plasma. We previously found that thiazolidine-2,4-dione and thiadiazole derivatives are also unstable. Using a pharmacophore-based database search, we identified a benzo[b]thiophen-2-sulfonamide derivative as a stable chymase inhibitor. Finding a lead compound with adequate activity and stability by a pharmacophore-based ap... aid7985.table aid7985.tbin
7986 1 Title: Identification of a stable chymase inhibitor using a pharmacophore-Based database search. Abstract: In general, serine protease chymase inhibitors readily decompose in plasma. We previously found that thiazolidine-2,4-dione and thiadiazole derivatives are also unstable. Using a pharmacophore-based database search, we identified a benzo[b]thiophen-2-sulfonamide derivative as a stable chymase inhibitor. Finding a lead compound with adequate activity and stability by a pharmacophore-based ap... aid7986.table aid7986.tbin
7987 14 Title: 1-Oxacephem-based human chymase inhibitors: discovery of stable inhibitors in human plasma. Abstract: 1-Oxacephem derivatives were evaluated as a novel series of chymase inhibitors. The structure-activity relationship studies of 1-oxacephems led to compounds 15, which exhibited 27 nM inhibition of human chymase and improvement of stability in human plasma (t 1/2 1.5 h). aid7987.table aid7987.tbin
7988 7 Title: Synthesis of novel water soluble benzylazolium prodrugs of lipophilic azole antifungals. Abstract: Water soluble N-benzyltriazolium or N-benzylimidazolium salt type prodrugs of several highly lipophilic triazole or imidazole antifungals have been synthesized. They were designed to undergo an enzymatic activation followed by a self-cleavage to release a parent drug. The prodrugs such as 16 had enough chemical stability and water solubility for parenteral use and were rapidly and quantitati... aid7988.table aid7988.tbin
7989 2 Title: Synthesis of novel water soluble benzylazolium prodrugs of lipophilic azole antifungals. Abstract: Water soluble N-benzyltriazolium or N-benzylimidazolium salt type prodrugs of several highly lipophilic triazole or imidazole antifungals have been synthesized. They were designed to undergo an enzymatic activation followed by a self-cleavage to release a parent drug. The prodrugs such as 16 had enough chemical stability and water solubility for parenteral use and were rapidly and quantitati... aid7989.table aid7989.tbin
7990 2 Title: The discovery of a potent, intracellular, orally bioavailable, long duration inhibitor of human neutrophil elastase--GW311616A a development candidate. Abstract: The discovery of a potent intracellular inhibitor of human neutrophil elastase which is orally active and has a long duration of action is described. The pharmacodynamic and pharmacokinetic properties of a trans-lactam development candidate, GW311616A, are described. aid7990.table aid7990.tbin
7991 1 Title: Semi-synthetic glycopeptide antibacterials. Abstract: Studies leading to the discovery of TD-6424 and their relevance to other hydrophobically-substituted glycopeptides are reviewed along with a brief comparison of properties for related agents currently undergoing clinical evaluation. aid7991.table aid7991.tbin
7992 2 Title: 1H-Pyrazolo-[3,4-c]cyclophepta[1,2-c]thiophenes: a unique structural class of dopamine D4 selective ligands. Abstract: A series of novel 1H-pyrazolo-[3,4-c]cyclophepta[1,2-c]thiophenes was prepared and screened at selected dopamine receptor subtypes. Compound 4 (NGB 4420) displayed high affinity and selectivity (&gt;100-fold) for the D(4) over D(2) and other CNS receptors. This compound was identified as a D(4) antagonist via its attenuation of dopamine agonist-induced GTPgamma(35)S bindi... aid7992.table aid7992.tbin
7993 5 Title: Design, synthesis and antifungal activity of a novel water soluble prodrug of antifungal triazole. Abstract: A highly potent water soluble triazole antifungal prodrug, RO0098557 (1), has been identified from its parent, the novel antifungal agent RO0094815 (2). The prodrug includes a triazolium salt linked to an aminocarboxyl moiety, which undergoes enzymatic activation followed by spontaneous chemical degradation to release 2. Prodrug 1 showed high chemical stability and water solubility... aid7993.table aid7993.tbin
7994 1 Title: Design, synthesis and antifungal activity of a novel water soluble prodrug of antifungal triazole. Abstract: A highly potent water soluble triazole antifungal prodrug, RO0098557 (1), has been identified from its parent, the novel antifungal agent RO0094815 (2). The prodrug includes a triazolium salt linked to an aminocarboxyl moiety, which undergoes enzymatic activation followed by spontaneous chemical degradation to release 2. Prodrug 1 showed high chemical stability and water solubility... aid7994.table aid7994.tbin
7995 1 Half life period was evaluated against man at a dose of 10 mg/kg after po administration aid7995.table aid7995.tbin
7996 3 Title: Novel nevirapine-like inhibitors with improved activity against NNRTI-resistant HIV: 8-heteroarylthiomethyldipyridodiazepinone derivatives. Abstract: A series of 8-heteroarylthiomethyldipyridodiazepinone derivatives were prepared and evaluated for their antiviral profile against wild type virus and the important K103N/Y181C mutant as an indicator for broad activity. 2,6-Dimethylpyridine derivative 16 was found to have a good pharmacokinetic profile in spite of poor metabolic stability in ... aid7996.table aid7996.tbin
7997 1 Title: Synthesis and stability study of a modified phenylpropionic acid linker-based esterase-sensitive prodrug. Abstract: An esterase-sensitive amide prodrug 1 with a modified phenylpropionic acid linker was synthesized. The prodrug can be converted to the drug using isolated porcine esterase and human plasma. Paraoxon, an esterase inhibitor, can inhibit prodrug-to-drug conversion. The conversion of prodrug 1 was via phenol intermediate 9 followed by a lactonization reaction to give lactone 2 a... aid7997.table aid7997.tbin
7998 1 Title: Synthesis and stability study of a modified phenylpropionic acid linker-based esterase-sensitive prodrug. Abstract: An esterase-sensitive amide prodrug 1 with a modified phenylpropionic acid linker was synthesized. The prodrug can be converted to the drug using isolated porcine esterase and human plasma. Paraoxon, an esterase inhibitor, can inhibit prodrug-to-drug conversion. The conversion of prodrug 1 was via phenol intermediate 9 followed by a lactonization reaction to give lactone 2 a... aid7998.table aid7998.tbin
7999 3 In vitro half life in human plasma was determined aid7999.table aid7999.tbin
8000 3 Title: Synthesis, SAR and pharmacology of CP-293,019: a potent, selective dopamine D4 receptor antagonist. Abstract: A series of novel, potent and selective pyrido[1,2-a]pyrazine dopamine D4 receptor antagonists are reported including CP-293,019 (D4 Ki = 3.4 nM, D2 Ki &gt; 3,310 nM), which also inhibits apomorphine-induced hyperlocomotion in rats after oral dosing. aid8000.table aid8000.tbin
8001 1 Maximum time was evaluated against man at a dose of 10 mg/kg after po administration aid8001.table aid8001.tbin
8002 120 Title: Prediction of human volume of distribution values for neutral and basic drugs. 2. Extended data set and leave-class-out statistics. Abstract: We present an extension and confirmation of our previously published method (J. Med. Chem. 2002, 45, 2867-2876) for the prediction of volume of distribution (VD) in humans for neutral and basic compounds. It is based on two experimentally determined physicochemical parameters, ElogD(7.4) and f(i(7.4)), the latter being the fraction of compound ioniz... aid8002.table aid8002.tbin
8003 1 Title: Protease inhibitors: current status and future prospects. aid8003.table aid8003.tbin
8004 3 Title: Discovery of 1-(2-aminomethylphenyl)-3-trifluoromethyl-N- [3-fluoro-2'-(aminosulfonyl)[1,1'-biphenyl)]-4-yl]-1H-pyrazole-5-carboxyamide (DPC602), a potent, selective, and orally bioavailable factor Xa inhibitor(1). Abstract: Factor Xa, a serine protease, is at the critical juncture between the intrinsic and extrinsic pathways of the coagulation cascade. Inhibition of factor Xa has the potential to provide effective treatment for both venous and arterial thrombosis. We recently described a... aid8004.table aid8004.tbin
8005 3 Title: Synthesis and hydrolytic stability studies of albendazole carrier prodrugs. Abstract: Three N-acyl (2, 3, and 4), two N-alkoxycarbonyl (5 and 6), and one N-acyloxymethyl (7) derivatives of albendazole (1) have been prepared and assessed as potential prodrugs. The determination of the aqueous solubility and partition coefficient, as well as the conversion of these derivatives to 1 in buffer solution, human plasma, and pig liver esterase were determined. aid8005.table aid8005.tbin
8006 6 Title: Dimeric L-dopa derivatives as potential prodrugs. Abstract: A series of dimeric derivatives (+)-1, and (+)-2, and (+)-3a-d of L-Dopa diacetyl esters was synthesized and evaluated as potential L-Dopa prodrugs with improved physicochemical properties. All the new compounds showed chemical stability in aqueous buffer solutions (pH 1.3 and 7.4). A relatively slow release of L-Dopa in human plasma was observed. aid8006.table aid8006.tbin
8007 6 Title: Dimeric L-dopa derivatives as potential prodrugs. Abstract: A series of dimeric derivatives (+)-1, and (+)-2, and (+)-3a-d of L-Dopa diacetyl esters was synthesized and evaluated as potential L-Dopa prodrugs with improved physicochemical properties. All the new compounds showed chemical stability in aqueous buffer solutions (pH 1.3 and 7.4). A relatively slow release of L-Dopa in human plasma was observed. aid8007.table aid8007.tbin
8008 2 Title: Structure-based design, synthesis, and biological evaluation of irreversible human rhinovirus 3C protease inhibitors. 6. Structure-activity studies of orally bioavailable, 2-pyridone-containing peptidomimetics. Abstract: The structure-based design, chemical synthesis, and biological evaluation of various 2-pyridone-containing human rhinovirus (HRV) 3C protease (3CP) inhibitors are described. These compounds are comprised of a peptidomimetic binding determinant and a Michael acceptor moiet... aid8008.table aid8008.tbin
8009 3 Title: Synthesis, characterization and myocardial uptake of cationic bis(arene)technetium(I) complexes. Abstract: A series of bis(arene)technetium(I) complexes has been synthesized from 99mTcO4- in order to study their organ distribution. Syntheses using either ultrasound/Al/AlCl3 or Zn/HCl gave products relatively free from transalkylation. The identity of the complexes was verified by comparison to the 99Tc complexes. Equivalence of the 99Tc and 99mTc complexes was demonstrated by HPLC techniq... aid8009.table aid8009.tbin
8010 21 Title: Synthesis, characterization and myocardial uptake of cationic bis(arene)technetium(I) complexes. Abstract: A series of bis(arene)technetium(I) complexes has been synthesized from 99mTcO4- in order to study their organ distribution. Syntheses using either ultrasound/Al/AlCl3 or Zn/HCl gave products relatively free from transalkylation. The identity of the complexes was verified by comparison to the 99Tc complexes. Equivalence of the 99Tc and 99mTc complexes was demonstrated by HPLC techniq... aid8010.table aid8010.tbin
8011 1 Title: Discovery of a highly potent, functionally-selective muscarinic M1 agonist, WAY-132983 using rational drug design and receptor modelling. Abstract: Rational drug design utilizing a receptor homology model of the human muscarinic M1 receptor led to the discovery of the highly potent (Ki = 2 nM), efficacious, and in vivo functionally-selective M1 agonist, WAY-132983. aid8011.table aid8011.tbin
8012 4 Half life measured in vitro for its stability in human blood aid8012.table aid8012.tbin
8013 6 Title: Rational design of a new series of pronucleotide. Abstract: A new pronucleotide series is described involving a two-step degradation process mediated by, respectively, carboxylesterase and phosphoramidase. Taking AZT as nucleosidyl moiety, it is shown that most of the compounds inhibit HIV replication in TK(-) cell line, which proves 5'-AZTMP delivery. aid8013.table aid8013.tbin
8014 1 Title: Rational design of a new series of pronucleotide. Abstract: A new pronucleotide series is described involving a two-step degradation process mediated by, respectively, carboxylesterase and phosphoramidase. Taking AZT as nucleosidyl moiety, it is shown that most of the compounds inhibit HIV replication in TK(-) cell line, which proves 5'-AZTMP delivery. aid8014.table aid8014.tbin
8015 7 Title: Rational design of a new series of pronucleotide. Abstract: A new pronucleotide series is described involving a two-step degradation process mediated by, respectively, carboxylesterase and phosphoramidase. Taking AZT as nucleosidyl moiety, it is shown that most of the compounds inhibit HIV replication in TK(-) cell line, which proves 5'-AZTMP delivery. aid8015.table aid8015.tbin
8016 7 Title: Rational design of a new series of pronucleotide. Abstract: A new pronucleotide series is described involving a two-step degradation process mediated by, respectively, carboxylesterase and phosphoramidase. Taking AZT as nucleosidyl moiety, it is shown that most of the compounds inhibit HIV replication in TK(-) cell line, which proves 5'-AZTMP delivery. aid8016.table aid8016.tbin
8017 3 Title: Synthesis and hydrolytic stability studies of albendazole carrier prodrugs. Abstract: Three N-acyl (2, 3, and 4), two N-alkoxycarbonyl (5 and 6), and one N-acyloxymethyl (7) derivatives of albendazole (1) have been prepared and assessed as potential prodrugs. The determination of the aqueous solubility and partition coefficient, as well as the conversion of these derivatives to 1 in buffer solution, human plasma, and pig liver esterase were determined. aid8017.table aid8017.tbin
8018 1 Title: Benzoxazinones as PPARgamma agonists. part 1: SAR of three aromatic regions. Abstract: A series of benzoxazinones was synthesized as PPARgamma agonists. The compounds were obtained in seven steps, and SAR was developed by variations to the core shown below. The compounds were tested as functional agonists in the induction of the aP2 gene in preadipocytes, and the most potent compound in the series has an EC(50)=0.51 microM. The potency was further confirmed through a PPAR-Gal4 construct. ... aid8018.table aid8018.tbin
8019 1 Title: Benzoxazinones as PPARgamma agonists. part 1: SAR of three aromatic regions. Abstract: A series of benzoxazinones was synthesized as PPARgamma agonists. The compounds were obtained in seven steps, and SAR was developed by variations to the core shown below. The compounds were tested as functional agonists in the induction of the aP2 gene in preadipocytes, and the most potent compound in the series has an EC(50)=0.51 microM. The potency was further confirmed through a PPAR-Gal4 construct. ... aid8019.table aid8019.tbin
8020 1 Title: Discovery, modeling, and human pharmacokinetics of N-(2-acetyl-4,6-dimethylphenyl)-3-(3,4-dimethylisoxazol-5-ylsulfamoyl)thiophene-2-carboxamide (TBC3711), a second generation, ETA selective, and orally bioavailable endothelin antagonist. Abstract: Sitaxsentan (1) (Wu et al. J. Med. Chem. 1997, 40, 1690) is our first endothelin antagonist being evaluated in clinical trials. It has demonstrated biological effects in an acute hemodynamic study in CHF (Givertz et al. Circulation 2000, 101, 2... aid8020.table aid8020.tbin
8021 1 Title: Discovery, modeling, and human pharmacokinetics of N-(2-acetyl-4,6-dimethylphenyl)-3-(3,4-dimethylisoxazol-5-ylsulfamoyl)thiophene-2-carboxamide (TBC3711), a second generation, ETA selective, and orally bioavailable endothelin antagonist. Abstract: Sitaxsentan (1) (Wu et al. J. Med. Chem. 1997, 40, 1690) is our first endothelin antagonist being evaluated in clinical trials. It has demonstrated biological effects in an acute hemodynamic study in CHF (Givertz et al. Circulation 2000, 101, 2... aid8021.table aid8021.tbin
8022 3 Title: Thrombin inhibitors based on [5,5] trans-fused indane lactams. Abstract: A series of trans-fused lactams containing the indane nucleus has been prepared. Compound 19 has much enhanced plasma stability compared with its lactone counterpart and shows appreciable in vitro anticoagulant activity. aid8022.table aid8022.tbin
8023 1 Title: Acyl-protected hydroxylamines as spin label generators for EPR brain imaging. Abstract: In a search for novel electron paramagnetic resonance (EPR) brain imaging agents, we have designed and synthesized the acyl-protected hydroxylamines 1-acetoxy-4-methoxycarbonyl-2,2,6,6-tetramethylpiperidine (AMCPe), 1-acetoxy-3-methoxycarbonyl-2,2,5,5-tetramethylpyrrolidine (AMCPy), and 1-acetoxy-3-(acetoxymethoxy)carbonyl-2,2,5,5-tetramethylpyrrolidine (DACPy), in which both the ring size and the numb... aid8023.table aid8023.tbin
8024 1 Title: Acyl-protected hydroxylamines as spin label generators for EPR brain imaging. Abstract: In a search for novel electron paramagnetic resonance (EPR) brain imaging agents, we have designed and synthesized the acyl-protected hydroxylamines 1-acetoxy-4-methoxycarbonyl-2,2,6,6-tetramethylpiperidine (AMCPe), 1-acetoxy-3-methoxycarbonyl-2,2,5,5-tetramethylpyrrolidine (AMCPy), and 1-acetoxy-3-(acetoxymethoxy)carbonyl-2,2,5,5-tetramethylpyrrolidine (DACPy), in which both the ring size and the numb... aid8024.table aid8024.tbin
8025 1 Title: Acyl-protected hydroxylamines as spin label generators for EPR brain imaging. Abstract: In a search for novel electron paramagnetic resonance (EPR) brain imaging agents, we have designed and synthesized the acyl-protected hydroxylamines 1-acetoxy-4-methoxycarbonyl-2,2,6,6-tetramethylpiperidine (AMCPe), 1-acetoxy-3-methoxycarbonyl-2,2,5,5-tetramethylpyrrolidine (AMCPy), and 1-acetoxy-3-(acetoxymethoxy)carbonyl-2,2,5,5-tetramethylpyrrolidine (DACPy), in which both the ring size and the numb... aid8025.table aid8025.tbin
8026 1 Title: Acyl-protected hydroxylamines as spin label generators for EPR brain imaging. Abstract: In a search for novel electron paramagnetic resonance (EPR) brain imaging agents, we have designed and synthesized the acyl-protected hydroxylamines 1-acetoxy-4-methoxycarbonyl-2,2,6,6-tetramethylpiperidine (AMCPe), 1-acetoxy-3-methoxycarbonyl-2,2,5,5-tetramethylpyrrolidine (AMCPy), and 1-acetoxy-3-(acetoxymethoxy)carbonyl-2,2,5,5-tetramethylpyrrolidine (DACPy), in which both the ring size and the numb... aid8026.table aid8026.tbin
8027 1 Title: Acyl-protected hydroxylamines as spin label generators for EPR brain imaging. Abstract: In a search for novel electron paramagnetic resonance (EPR) brain imaging agents, we have designed and synthesized the acyl-protected hydroxylamines 1-acetoxy-4-methoxycarbonyl-2,2,6,6-tetramethylpiperidine (AMCPe), 1-acetoxy-3-methoxycarbonyl-2,2,5,5-tetramethylpyrrolidine (AMCPy), and 1-acetoxy-3-(acetoxymethoxy)carbonyl-2,2,5,5-tetramethylpyrrolidine (DACPy), in which both the ring size and the numb... aid8027.table aid8027.tbin
8028 1 Title: Acyl-protected hydroxylamines as spin label generators for EPR brain imaging. Abstract: In a search for novel electron paramagnetic resonance (EPR) brain imaging agents, we have designed and synthesized the acyl-protected hydroxylamines 1-acetoxy-4-methoxycarbonyl-2,2,6,6-tetramethylpiperidine (AMCPe), 1-acetoxy-3-methoxycarbonyl-2,2,5,5-tetramethylpyrrolidine (AMCPy), and 1-acetoxy-3-(acetoxymethoxy)carbonyl-2,2,5,5-tetramethylpyrrolidine (DACPy), in which both the ring size and the numb... aid8028.table aid8028.tbin
8029 1 Title: Acyl-protected hydroxylamines as spin label generators for EPR brain imaging. Abstract: In a search for novel electron paramagnetic resonance (EPR) brain imaging agents, we have designed and synthesized the acyl-protected hydroxylamines 1-acetoxy-4-methoxycarbonyl-2,2,6,6-tetramethylpiperidine (AMCPe), 1-acetoxy-3-methoxycarbonyl-2,2,5,5-tetramethylpyrrolidine (AMCPy), and 1-acetoxy-3-(acetoxymethoxy)carbonyl-2,2,5,5-tetramethylpyrrolidine (DACPy), in which both the ring size and the numb... aid8029.table aid8029.tbin
8030 1 Title: Acyl-protected hydroxylamines as spin label generators for EPR brain imaging. Abstract: In a search for novel electron paramagnetic resonance (EPR) brain imaging agents, we have designed and synthesized the acyl-protected hydroxylamines 1-acetoxy-4-methoxycarbonyl-2,2,6,6-tetramethylpiperidine (AMCPe), 1-acetoxy-3-methoxycarbonyl-2,2,5,5-tetramethylpyrrolidine (AMCPy), and 1-acetoxy-3-(acetoxymethoxy)carbonyl-2,2,5,5-tetramethylpyrrolidine (DACPy), in which both the ring size and the numb... aid8030.table aid8030.tbin
8031 1 Title: Acyl-protected hydroxylamines as spin label generators for EPR brain imaging. Abstract: In a search for novel electron paramagnetic resonance (EPR) brain imaging agents, we have designed and synthesized the acyl-protected hydroxylamines 1-acetoxy-4-methoxycarbonyl-2,2,6,6-tetramethylpiperidine (AMCPe), 1-acetoxy-3-methoxycarbonyl-2,2,5,5-tetramethylpyrrolidine (AMCPy), and 1-acetoxy-3-(acetoxymethoxy)carbonyl-2,2,5,5-tetramethylpyrrolidine (DACPy), in which both the ring size and the numb... aid8031.table aid8031.tbin
8032 1 Title: Acyl-protected hydroxylamines as spin label generators for EPR brain imaging. Abstract: In a search for novel electron paramagnetic resonance (EPR) brain imaging agents, we have designed and synthesized the acyl-protected hydroxylamines 1-acetoxy-4-methoxycarbonyl-2,2,6,6-tetramethylpiperidine (AMCPe), 1-acetoxy-3-methoxycarbonyl-2,2,5,5-tetramethylpyrrolidine (AMCPy), and 1-acetoxy-3-(acetoxymethoxy)carbonyl-2,2,5,5-tetramethylpyrrolidine (DACPy), in which both the ring size and the numb... aid8032.table aid8032.tbin
8033 1 Title: Acyl-protected hydroxylamines as spin label generators for EPR brain imaging. Abstract: In a search for novel electron paramagnetic resonance (EPR) brain imaging agents, we have designed and synthesized the acyl-protected hydroxylamines 1-acetoxy-4-methoxycarbonyl-2,2,6,6-tetramethylpiperidine (AMCPe), 1-acetoxy-3-methoxycarbonyl-2,2,5,5-tetramethylpyrrolidine (AMCPy), and 1-acetoxy-3-(acetoxymethoxy)carbonyl-2,2,5,5-tetramethylpyrrolidine (DACPy), in which both the ring size and the numb... aid8033.table aid8033.tbin
8034 1 Title: Acyl-protected hydroxylamines as spin label generators for EPR brain imaging. Abstract: In a search for novel electron paramagnetic resonance (EPR) brain imaging agents, we have designed and synthesized the acyl-protected hydroxylamines 1-acetoxy-4-methoxycarbonyl-2,2,6,6-tetramethylpiperidine (AMCPe), 1-acetoxy-3-methoxycarbonyl-2,2,5,5-tetramethylpyrrolidine (AMCPy), and 1-acetoxy-3-(acetoxymethoxy)carbonyl-2,2,5,5-tetramethylpyrrolidine (DACPy), in which both the ring size and the numb... aid8034.table aid8034.tbin
8035 1 Title: Acyl-protected hydroxylamines as spin label generators for EPR brain imaging. Abstract: In a search for novel electron paramagnetic resonance (EPR) brain imaging agents, we have designed and synthesized the acyl-protected hydroxylamines 1-acetoxy-4-methoxycarbonyl-2,2,6,6-tetramethylpiperidine (AMCPe), 1-acetoxy-3-methoxycarbonyl-2,2,5,5-tetramethylpyrrolidine (AMCPy), and 1-acetoxy-3-(acetoxymethoxy)carbonyl-2,2,5,5-tetramethylpyrrolidine (DACPy), in which both the ring size and the numb... aid8035.table aid8035.tbin
8036 1 Title: Acyl-protected hydroxylamines as spin label generators for EPR brain imaging. Abstract: In a search for novel electron paramagnetic resonance (EPR) brain imaging agents, we have designed and synthesized the acyl-protected hydroxylamines 1-acetoxy-4-methoxycarbonyl-2,2,6,6-tetramethylpiperidine (AMCPe), 1-acetoxy-3-methoxycarbonyl-2,2,5,5-tetramethylpyrrolidine (AMCPy), and 1-acetoxy-3-(acetoxymethoxy)carbonyl-2,2,5,5-tetramethylpyrrolidine (DACPy), in which both the ring size and the numb... aid8036.table aid8036.tbin
8037 1 Title: Acyl-protected hydroxylamines as spin label generators for EPR brain imaging. Abstract: In a search for novel electron paramagnetic resonance (EPR) brain imaging agents, we have designed and synthesized the acyl-protected hydroxylamines 1-acetoxy-4-methoxycarbonyl-2,2,6,6-tetramethylpiperidine (AMCPe), 1-acetoxy-3-methoxycarbonyl-2,2,5,5-tetramethylpyrrolidine (AMCPy), and 1-acetoxy-3-(acetoxymethoxy)carbonyl-2,2,5,5-tetramethylpyrrolidine (DACPy), in which both the ring size and the numb... aid8037.table aid8037.tbin
8038 1 Title: Acyl-protected hydroxylamines as spin label generators for EPR brain imaging. Abstract: In a search for novel electron paramagnetic resonance (EPR) brain imaging agents, we have designed and synthesized the acyl-protected hydroxylamines 1-acetoxy-4-methoxycarbonyl-2,2,6,6-tetramethylpiperidine (AMCPe), 1-acetoxy-3-methoxycarbonyl-2,2,5,5-tetramethylpyrrolidine (AMCPy), and 1-acetoxy-3-(acetoxymethoxy)carbonyl-2,2,5,5-tetramethylpyrrolidine (DACPy), in which both the ring size and the numb... aid8038.table aid8038.tbin
8039 1 Title: Acyl-protected hydroxylamines as spin label generators for EPR brain imaging. Abstract: In a search for novel electron paramagnetic resonance (EPR) brain imaging agents, we have designed and synthesized the acyl-protected hydroxylamines 1-acetoxy-4-methoxycarbonyl-2,2,6,6-tetramethylpiperidine (AMCPe), 1-acetoxy-3-methoxycarbonyl-2,2,5,5-tetramethylpyrrolidine (AMCPy), and 1-acetoxy-3-(acetoxymethoxy)carbonyl-2,2,5,5-tetramethylpyrrolidine (DACPy), in which both the ring size and the numb... aid8039.table aid8039.tbin
8040 1 Title: Acyl-protected hydroxylamines as spin label generators for EPR brain imaging. Abstract: In a search for novel electron paramagnetic resonance (EPR) brain imaging agents, we have designed and synthesized the acyl-protected hydroxylamines 1-acetoxy-4-methoxycarbonyl-2,2,6,6-tetramethylpiperidine (AMCPe), 1-acetoxy-3-methoxycarbonyl-2,2,5,5-tetramethylpyrrolidine (AMCPy), and 1-acetoxy-3-(acetoxymethoxy)carbonyl-2,2,5,5-tetramethylpyrrolidine (DACPy), in which both the ring size and the numb... aid8040.table aid8040.tbin
8041 1 Title: Acyl-protected hydroxylamines as spin label generators for EPR brain imaging. Abstract: In a search for novel electron paramagnetic resonance (EPR) brain imaging agents, we have designed and synthesized the acyl-protected hydroxylamines 1-acetoxy-4-methoxycarbonyl-2,2,6,6-tetramethylpiperidine (AMCPe), 1-acetoxy-3-methoxycarbonyl-2,2,5,5-tetramethylpyrrolidine (AMCPy), and 1-acetoxy-3-(acetoxymethoxy)carbonyl-2,2,5,5-tetramethylpyrrolidine (DACPy), in which both the ring size and the numb... aid8041.table aid8041.tbin
8042 1 Title: Acyl-protected hydroxylamines as spin label generators for EPR brain imaging. Abstract: In a search for novel electron paramagnetic resonance (EPR) brain imaging agents, we have designed and synthesized the acyl-protected hydroxylamines 1-acetoxy-4-methoxycarbonyl-2,2,6,6-tetramethylpiperidine (AMCPe), 1-acetoxy-3-methoxycarbonyl-2,2,5,5-tetramethylpyrrolidine (AMCPy), and 1-acetoxy-3-(acetoxymethoxy)carbonyl-2,2,5,5-tetramethylpyrrolidine (DACPy), in which both the ring size and the numb... aid8042.table aid8042.tbin
8043 2 Title: Acyl-protected hydroxylamines as spin label generators for EPR brain imaging. Abstract: In a search for novel electron paramagnetic resonance (EPR) brain imaging agents, we have designed and synthesized the acyl-protected hydroxylamines 1-acetoxy-4-methoxycarbonyl-2,2,6,6-tetramethylpiperidine (AMCPe), 1-acetoxy-3-methoxycarbonyl-2,2,5,5-tetramethylpyrrolidine (AMCPy), and 1-acetoxy-3-(acetoxymethoxy)carbonyl-2,2,5,5-tetramethylpyrrolidine (DACPy), in which both the ring size and the numb... aid8043.table aid8043.tbin
8044 1 Title: Acyl-protected hydroxylamines as spin label generators for EPR brain imaging. Abstract: In a search for novel electron paramagnetic resonance (EPR) brain imaging agents, we have designed and synthesized the acyl-protected hydroxylamines 1-acetoxy-4-methoxycarbonyl-2,2,6,6-tetramethylpiperidine (AMCPe), 1-acetoxy-3-methoxycarbonyl-2,2,5,5-tetramethylpyrrolidine (AMCPy), and 1-acetoxy-3-(acetoxymethoxy)carbonyl-2,2,5,5-tetramethylpyrrolidine (DACPy), in which both the ring size and the numb... aid8044.table aid8044.tbin
8045 1 Title: Acyl-protected hydroxylamines as spin label generators for EPR brain imaging. Abstract: In a search for novel electron paramagnetic resonance (EPR) brain imaging agents, we have designed and synthesized the acyl-protected hydroxylamines 1-acetoxy-4-methoxycarbonyl-2,2,6,6-tetramethylpiperidine (AMCPe), 1-acetoxy-3-methoxycarbonyl-2,2,5,5-tetramethylpyrrolidine (AMCPy), and 1-acetoxy-3-(acetoxymethoxy)carbonyl-2,2,5,5-tetramethylpyrrolidine (DACPy), in which both the ring size and the numb... aid8045.table aid8045.tbin
8046 1 Title: Acyl-protected hydroxylamines as spin label generators for EPR brain imaging. Abstract: In a search for novel electron paramagnetic resonance (EPR) brain imaging agents, we have designed and synthesized the acyl-protected hydroxylamines 1-acetoxy-4-methoxycarbonyl-2,2,6,6-tetramethylpiperidine (AMCPe), 1-acetoxy-3-methoxycarbonyl-2,2,5,5-tetramethylpyrrolidine (AMCPy), and 1-acetoxy-3-(acetoxymethoxy)carbonyl-2,2,5,5-tetramethylpyrrolidine (DACPy), in which both the ring size and the numb... aid8046.table aid8046.tbin
8047 1 Title: Acyl-protected hydroxylamines as spin label generators for EPR brain imaging. Abstract: In a search for novel electron paramagnetic resonance (EPR) brain imaging agents, we have designed and synthesized the acyl-protected hydroxylamines 1-acetoxy-4-methoxycarbonyl-2,2,6,6-tetramethylpiperidine (AMCPe), 1-acetoxy-3-methoxycarbonyl-2,2,5,5-tetramethylpyrrolidine (AMCPy), and 1-acetoxy-3-(acetoxymethoxy)carbonyl-2,2,5,5-tetramethylpyrrolidine (DACPy), in which both the ring size and the numb... aid8047.table aid8047.tbin
8048 1 Title: Acyl-protected hydroxylamines as spin label generators for EPR brain imaging. Abstract: In a search for novel electron paramagnetic resonance (EPR) brain imaging agents, we have designed and synthesized the acyl-protected hydroxylamines 1-acetoxy-4-methoxycarbonyl-2,2,6,6-tetramethylpiperidine (AMCPe), 1-acetoxy-3-methoxycarbonyl-2,2,5,5-tetramethylpyrrolidine (AMCPy), and 1-acetoxy-3-(acetoxymethoxy)carbonyl-2,2,5,5-tetramethylpyrrolidine (DACPy), in which both the ring size and the numb... aid8048.table aid8048.tbin
8049 1 Title: Acyl-protected hydroxylamines as spin label generators for EPR brain imaging. Abstract: In a search for novel electron paramagnetic resonance (EPR) brain imaging agents, we have designed and synthesized the acyl-protected hydroxylamines 1-acetoxy-4-methoxycarbonyl-2,2,6,6-tetramethylpiperidine (AMCPe), 1-acetoxy-3-methoxycarbonyl-2,2,5,5-tetramethylpyrrolidine (AMCPy), and 1-acetoxy-3-(acetoxymethoxy)carbonyl-2,2,5,5-tetramethylpyrrolidine (DACPy), in which both the ring size and the numb... aid8049.table aid8049.tbin
8050 1 Title: Acyl-protected hydroxylamines as spin label generators for EPR brain imaging. Abstract: In a search for novel electron paramagnetic resonance (EPR) brain imaging agents, we have designed and synthesized the acyl-protected hydroxylamines 1-acetoxy-4-methoxycarbonyl-2,2,6,6-tetramethylpiperidine (AMCPe), 1-acetoxy-3-methoxycarbonyl-2,2,5,5-tetramethylpyrrolidine (AMCPy), and 1-acetoxy-3-(acetoxymethoxy)carbonyl-2,2,5,5-tetramethylpyrrolidine (DACPy), in which both the ring size and the numb... aid8050.table aid8050.tbin
8051 1 Title: Acyl-protected hydroxylamines as spin label generators for EPR brain imaging. Abstract: In a search for novel electron paramagnetic resonance (EPR) brain imaging agents, we have designed and synthesized the acyl-protected hydroxylamines 1-acetoxy-4-methoxycarbonyl-2,2,6,6-tetramethylpiperidine (AMCPe), 1-acetoxy-3-methoxycarbonyl-2,2,5,5-tetramethylpyrrolidine (AMCPy), and 1-acetoxy-3-(acetoxymethoxy)carbonyl-2,2,5,5-tetramethylpyrrolidine (DACPy), in which both the ring size and the numb... aid8051.table aid8051.tbin
8052 1 Title: Acyl-protected hydroxylamines as spin label generators for EPR brain imaging. Abstract: In a search for novel electron paramagnetic resonance (EPR) brain imaging agents, we have designed and synthesized the acyl-protected hydroxylamines 1-acetoxy-4-methoxycarbonyl-2,2,6,6-tetramethylpiperidine (AMCPe), 1-acetoxy-3-methoxycarbonyl-2,2,5,5-tetramethylpyrrolidine (AMCPy), and 1-acetoxy-3-(acetoxymethoxy)carbonyl-2,2,5,5-tetramethylpyrrolidine (DACPy), in which both the ring size and the numb... aid8052.table aid8052.tbin
8053 1 Title: Acyl-protected hydroxylamines as spin label generators for EPR brain imaging. Abstract: In a search for novel electron paramagnetic resonance (EPR) brain imaging agents, we have designed and synthesized the acyl-protected hydroxylamines 1-acetoxy-4-methoxycarbonyl-2,2,6,6-tetramethylpiperidine (AMCPe), 1-acetoxy-3-methoxycarbonyl-2,2,5,5-tetramethylpyrrolidine (AMCPy), and 1-acetoxy-3-(acetoxymethoxy)carbonyl-2,2,5,5-tetramethylpyrrolidine (DACPy), in which both the ring size and the numb... aid8053.table aid8053.tbin
8054 1 Title: Acyl-protected hydroxylamines as spin label generators for EPR brain imaging. Abstract: In a search for novel electron paramagnetic resonance (EPR) brain imaging agents, we have designed and synthesized the acyl-protected hydroxylamines 1-acetoxy-4-methoxycarbonyl-2,2,6,6-tetramethylpiperidine (AMCPe), 1-acetoxy-3-methoxycarbonyl-2,2,5,5-tetramethylpyrrolidine (AMCPy), and 1-acetoxy-3-(acetoxymethoxy)carbonyl-2,2,5,5-tetramethylpyrrolidine (DACPy), in which both the ring size and the numb... aid8054.table aid8054.tbin
8055 1 Title: Acyl-protected hydroxylamines as spin label generators for EPR brain imaging. Abstract: In a search for novel electron paramagnetic resonance (EPR) brain imaging agents, we have designed and synthesized the acyl-protected hydroxylamines 1-acetoxy-4-methoxycarbonyl-2,2,6,6-tetramethylpiperidine (AMCPe), 1-acetoxy-3-methoxycarbonyl-2,2,5,5-tetramethylpyrrolidine (AMCPy), and 1-acetoxy-3-(acetoxymethoxy)carbonyl-2,2,5,5-tetramethylpyrrolidine (DACPy), in which both the ring size and the numb... aid8055.table aid8055.tbin
8056 1 Title: Acyl-protected hydroxylamines as spin label generators for EPR brain imaging. Abstract: In a search for novel electron paramagnetic resonance (EPR) brain imaging agents, we have designed and synthesized the acyl-protected hydroxylamines 1-acetoxy-4-methoxycarbonyl-2,2,6,6-tetramethylpiperidine (AMCPe), 1-acetoxy-3-methoxycarbonyl-2,2,5,5-tetramethylpyrrolidine (AMCPy), and 1-acetoxy-3-(acetoxymethoxy)carbonyl-2,2,5,5-tetramethylpyrrolidine (DACPy), in which both the ring size and the numb... aid8056.table aid8056.tbin
8057 1 Title: Acyl-protected hydroxylamines as spin label generators for EPR brain imaging. Abstract: In a search for novel electron paramagnetic resonance (EPR) brain imaging agents, we have designed and synthesized the acyl-protected hydroxylamines 1-acetoxy-4-methoxycarbonyl-2,2,6,6-tetramethylpiperidine (AMCPe), 1-acetoxy-3-methoxycarbonyl-2,2,5,5-tetramethylpyrrolidine (AMCPy), and 1-acetoxy-3-(acetoxymethoxy)carbonyl-2,2,5,5-tetramethylpyrrolidine (DACPy), in which both the ring size and the numb... aid8057.table aid8057.tbin
8058 1 Title: Acyl-protected hydroxylamines as spin label generators for EPR brain imaging. Abstract: In a search for novel electron paramagnetic resonance (EPR) brain imaging agents, we have designed and synthesized the acyl-protected hydroxylamines 1-acetoxy-4-methoxycarbonyl-2,2,6,6-tetramethylpiperidine (AMCPe), 1-acetoxy-3-methoxycarbonyl-2,2,5,5-tetramethylpyrrolidine (AMCPy), and 1-acetoxy-3-(acetoxymethoxy)carbonyl-2,2,5,5-tetramethylpyrrolidine (DACPy), in which both the ring size and the numb... aid8058.table aid8058.tbin
8059 1 Title: Acyl-protected hydroxylamines as spin label generators for EPR brain imaging. Abstract: In a search for novel electron paramagnetic resonance (EPR) brain imaging agents, we have designed and synthesized the acyl-protected hydroxylamines 1-acetoxy-4-methoxycarbonyl-2,2,6,6-tetramethylpiperidine (AMCPe), 1-acetoxy-3-methoxycarbonyl-2,2,5,5-tetramethylpyrrolidine (AMCPy), and 1-acetoxy-3-(acetoxymethoxy)carbonyl-2,2,5,5-tetramethylpyrrolidine (DACPy), in which both the ring size and the numb... aid8059.table aid8059.tbin
8060 2 Title: Acyl-protected hydroxylamines as spin label generators for EPR brain imaging. Abstract: In a search for novel electron paramagnetic resonance (EPR) brain imaging agents, we have designed and synthesized the acyl-protected hydroxylamines 1-acetoxy-4-methoxycarbonyl-2,2,6,6-tetramethylpiperidine (AMCPe), 1-acetoxy-3-methoxycarbonyl-2,2,5,5-tetramethylpyrrolidine (AMCPy), and 1-acetoxy-3-(acetoxymethoxy)carbonyl-2,2,5,5-tetramethylpyrrolidine (DACPy), in which both the ring size and the numb... aid8060.table aid8060.tbin
8061 1 Title: Acyl-protected hydroxylamines as spin label generators for EPR brain imaging. Abstract: In a search for novel electron paramagnetic resonance (EPR) brain imaging agents, we have designed and synthesized the acyl-protected hydroxylamines 1-acetoxy-4-methoxycarbonyl-2,2,6,6-tetramethylpiperidine (AMCPe), 1-acetoxy-3-methoxycarbonyl-2,2,5,5-tetramethylpyrrolidine (AMCPy), and 1-acetoxy-3-(acetoxymethoxy)carbonyl-2,2,5,5-tetramethylpyrrolidine (DACPy), in which both the ring size and the numb... aid8061.table aid8061.tbin
8062 1 Title: Vacuolar-type H(+)-ATPase inhibitory activity of synthetic analogues of the concanamycins: is the hydrogen bond network involving the lactone carbonyl, the hemiacetal hydroxy group, and the C-19 hydroxy group essential for the biological activity of the concanamycins? Abstract: Synthetic analogue of the concanamycins, which lacks the hydrogen bond network existing in the concanamycin structure, retains vacuolar-type H(+)-ATPase (V-ATPase) inhibitory activity and induces apoptosis to cance... aid8062.table aid8062.tbin
8063 1 Title: Vacuolar-type H(+)-ATPase inhibitory activity of synthetic analogues of the concanamycins: is the hydrogen bond network involving the lactone carbonyl, the hemiacetal hydroxy group, and the C-19 hydroxy group essential for the biological activity of the concanamycins? Abstract: Synthetic analogue of the concanamycins, which lacks the hydrogen bond network existing in the concanamycin structure, retains vacuolar-type H(+)-ATPase (V-ATPase) inhibitory activity and induces apoptosis to cance... aid8063.table aid8063.tbin
8064 1 Title: Tyrosine kinase inhibitors. 18. 6-Substituted 4-anilinoquinazolines and 4-anilinopyrido[3,4-d]pyrimidines as soluble, irreversible inhibitors of the epidermal growth factor receptor. Abstract: 4-Anilinoquinazoline- and 4-anilinopyrido[3,4-d]pyrimidine-6-acrylamides are potent pan-erbB tyrosine kinase inactivators, and one example (CI-1033) is in clinical trial. A series of analogues with a variety of Michael acceptor units at the 6-position were prepared to define the structural requireme... aid8064.table aid8064.tbin
8065 1 Title: Tyrosine kinase inhibitors. 18. 6-Substituted 4-anilinoquinazolines and 4-anilinopyrido[3,4-d]pyrimidines as soluble, irreversible inhibitors of the epidermal growth factor receptor. Abstract: 4-Anilinoquinazoline- and 4-anilinopyrido[3,4-d]pyrimidine-6-acrylamides are potent pan-erbB tyrosine kinase inactivators, and one example (CI-1033) is in clinical trial. A series of analogues with a variety of Michael acceptor units at the 6-position were prepared to define the structural requireme... aid8065.table aid8065.tbin
8066 3 Title: S(+)-4-(1-Phenylethylamino)quinazolines as inhibitors of human immunoglobulin E synthesis: potency is dictated by stereochemistry and atomic point charges at N-1. Abstract: Since the pathogenesis of allergic diseases is associated with elevated levels of immunoglobulin E (IgE), we developed a high throughput reporter gene assay in a human B-cell line to screen for low molecular weight IgE inhibitory compounds. Monitoring the IL-4 driven IgE-germline promoter activity (IgE-GLP), we discove... aid8066.table aid8066.tbin
8067 1 Title: Inhibitors of human histone deacetylase: synthesis and enzyme and cellular activity of straight chain hydroxamates. Abstract: Inhibitors of histone deacetylase (HDAC) have been shown to induce terminal differentiation of human tumor cell lines and to have antitumor effects in vivo. We have prepared analogues of suberoylanilide hydroxamic acid (SAHA) and trichostatin A and have evaluated them in a human HDAC enzyme inhibition assay, a p21(waf1) (p21) promoter assay, and in monolayer growth... aid8067.table aid8067.tbin
8068 14 Title: Novel bicyclic oxazolone derivatives as anti-angiogenic agents. Abstract: Novel bicyclic tetrahydropyrano[3,2-d]oxazolones derivatives, analogues of Fumagillin, were synthesised via a stereocontrolled oxidative-rearrangement of furylcarbinols and subsequent treatment with the appropriate isocyanate. These compounds demonstrated potent antiangiogenic activity. aid8068.table aid8068.tbin
8069 4 Title: Tyrosine kinase inhibitors. 14. Structure-activity relationships for methylamino-substituted derivatives of 4-[(3-bromophenyl)amino]-6-(methylamino)-pyrido[3,4-d]pyrimidine (PD 158780), a potent and specific inhibitor of the tyrosine kinase activity of receptors for the EGF family of growth factors. Abstract: The 4-[(3-bromophenyl)amino]pyrido[3,4-d]pyrimidine PD 158780 is a very potent in vitro inhibitor of the tyrosine kinase activity of the epidermal growth factor receptor (EGFR) (IC50... aid8069.table aid8069.tbin
8070 22 Title: Tyrosine kinase inhibitors. 14. Structure-activity relationships for methylamino-substituted derivatives of 4-[(3-bromophenyl)amino]-6-(methylamino)-pyrido[3,4-d]pyrimidine (PD 158780), a potent and specific inhibitor of the tyrosine kinase activity of receptors for the EGF family of growth factors. Abstract: The 4-[(3-bromophenyl)amino]pyrido[3,4-d]pyrimidine PD 158780 is a very potent in vitro inhibitor of the tyrosine kinase activity of the epidermal growth factor receptor (EGFR) (IC50... aid8070.table aid8070.tbin
8071 1 Title: Tyrosine kinase inhibitors. 18. 6-Substituted 4-anilinoquinazolines and 4-anilinopyrido[3,4-d]pyrimidines as soluble, irreversible inhibitors of the epidermal growth factor receptor. Abstract: 4-Anilinoquinazoline- and 4-anilinopyrido[3,4-d]pyrimidine-6-acrylamides are potent pan-erbB tyrosine kinase inactivators, and one example (CI-1033) is in clinical trial. A series of analogues with a variety of Michael acceptor units at the 6-position were prepared to define the structural requireme... aid8071.table aid8071.tbin
8072 1 Title: Tyrosine kinase inhibitors. 18. 6-Substituted 4-anilinoquinazolines and 4-anilinopyrido[3,4-d]pyrimidines as soluble, irreversible inhibitors of the epidermal growth factor receptor. Abstract: 4-Anilinoquinazoline- and 4-anilinopyrido[3,4-d]pyrimidine-6-acrylamides are potent pan-erbB tyrosine kinase inactivators, and one example (CI-1033) is in clinical trial. A series of analogues with a variety of Michael acceptor units at the 6-position were prepared to define the structural requireme... aid8072.table aid8072.tbin
8073 1 Title: Tyrosine kinase inhibitors. 18. 6-Substituted 4-anilinoquinazolines and 4-anilinopyrido[3,4-d]pyrimidines as soluble, irreversible inhibitors of the epidermal growth factor receptor. Abstract: 4-Anilinoquinazoline- and 4-anilinopyrido[3,4-d]pyrimidine-6-acrylamides are potent pan-erbB tyrosine kinase inactivators, and one example (CI-1033) is in clinical trial. A series of analogues with a variety of Michael acceptor units at the 6-position were prepared to define the structural requireme... aid8073.table aid8073.tbin
8074 1 Title: Tyrosine kinase inhibitors. 18. 6-Substituted 4-anilinoquinazolines and 4-anilinopyrido[3,4-d]pyrimidines as soluble, irreversible inhibitors of the epidermal growth factor receptor. Abstract: 4-Anilinoquinazoline- and 4-anilinopyrido[3,4-d]pyrimidine-6-acrylamides are potent pan-erbB tyrosine kinase inactivators, and one example (CI-1033) is in clinical trial. A series of analogues with a variety of Michael acceptor units at the 6-position were prepared to define the structural requireme... aid8074.table aid8074.tbin
8075 2 Title: Tyrosine kinase inhibitors. 18. 6-Substituted 4-anilinoquinazolines and 4-anilinopyrido[3,4-d]pyrimidines as soluble, irreversible inhibitors of the epidermal growth factor receptor. Abstract: 4-Anilinoquinazoline- and 4-anilinopyrido[3,4-d]pyrimidine-6-acrylamides are potent pan-erbB tyrosine kinase inactivators, and one example (CI-1033) is in clinical trial. A series of analogues with a variety of Michael acceptor units at the 6-position were prepared to define the structural requireme... aid8075.table aid8075.tbin
8076 2 Title: Tyrosine kinase inhibitors. 18. 6-Substituted 4-anilinoquinazolines and 4-anilinopyrido[3,4-d]pyrimidines as soluble, irreversible inhibitors of the epidermal growth factor receptor. Abstract: 4-Anilinoquinazoline- and 4-anilinopyrido[3,4-d]pyrimidine-6-acrylamides are potent pan-erbB tyrosine kinase inactivators, and one example (CI-1033) is in clinical trial. A series of analogues with a variety of Michael acceptor units at the 6-position were prepared to define the structural requireme... aid8076.table aid8076.tbin
8077 31 Title: Tyrosine kinase inhibitors. 18. 6-Substituted 4-anilinoquinazolines and 4-anilinopyrido[3,4-d]pyrimidines as soluble, irreversible inhibitors of the epidermal growth factor receptor. Abstract: 4-Anilinoquinazoline- and 4-anilinopyrido[3,4-d]pyrimidine-6-acrylamides are potent pan-erbB tyrosine kinase inactivators, and one example (CI-1033) is in clinical trial. A series of analogues with a variety of Michael acceptor units at the 6-position were prepared to define the structural requireme... aid8077.table aid8077.tbin
8078 1 Title: Tyrosine kinase inhibitors. 18. 6-Substituted 4-anilinoquinazolines and 4-anilinopyrido[3,4-d]pyrimidines as soluble, irreversible inhibitors of the epidermal growth factor receptor. Abstract: 4-Anilinoquinazoline- and 4-anilinopyrido[3,4-d]pyrimidine-6-acrylamides are potent pan-erbB tyrosine kinase inactivators, and one example (CI-1033) is in clinical trial. A series of analogues with a variety of Michael acceptor units at the 6-position were prepared to define the structural requireme... aid8078.table aid8078.tbin
8079 1 Title: Tyrosine kinase inhibitors. 18. 6-Substituted 4-anilinoquinazolines and 4-anilinopyrido[3,4-d]pyrimidines as soluble, irreversible inhibitors of the epidermal growth factor receptor. Abstract: 4-Anilinoquinazoline- and 4-anilinopyrido[3,4-d]pyrimidine-6-acrylamides are potent pan-erbB tyrosine kinase inactivators, and one example (CI-1033) is in clinical trial. A series of analogues with a variety of Michael acceptor units at the 6-position were prepared to define the structural requireme... aid8079.table aid8079.tbin
8080 1 Title: Tyrosine kinase inhibitors. 18. 6-Substituted 4-anilinoquinazolines and 4-anilinopyrido[3,4-d]pyrimidines as soluble, irreversible inhibitors of the epidermal growth factor receptor. Abstract: 4-Anilinoquinazoline- and 4-anilinopyrido[3,4-d]pyrimidine-6-acrylamides are potent pan-erbB tyrosine kinase inactivators, and one example (CI-1033) is in clinical trial. A series of analogues with a variety of Michael acceptor units at the 6-position were prepared to define the structural requireme... aid8080.table aid8080.tbin
8081 1 Title: 2-Substituted aminopyrido[2,3-d]pyrimidin-7(8H)-ones. structure-activity relationships against selected tyrosine kinases and in vitro and in vivo anticancer activity. Abstract: While engaged in therapeutic intervention against a number of proliferative diseases, we have discovered the 2-aminopyrido[2, 3-d]pyrimidin-7(8H)-ones as a novel class of potent, broadly active tyrosine kinase (TK) inhibitors. An efficient route was developed that enabled the synthesis of a wide variety of analogue... aid8081.table aid8081.tbin
8082 1 Title: 2-Substituted aminopyrido[2,3-d]pyrimidin-7(8H)-ones. structure-activity relationships against selected tyrosine kinases and in vitro and in vivo anticancer activity. Abstract: While engaged in therapeutic intervention against a number of proliferative diseases, we have discovered the 2-aminopyrido[2, 3-d]pyrimidin-7(8H)-ones as a novel class of potent, broadly active tyrosine kinase (TK) inhibitors. An efficient route was developed that enabled the synthesis of a wide variety of analogue... aid8082.table aid8082.tbin
8083 1 Title: 2-Substituted aminopyrido[2,3-d]pyrimidin-7(8H)-ones. structure-activity relationships against selected tyrosine kinases and in vitro and in vivo anticancer activity. Abstract: While engaged in therapeutic intervention against a number of proliferative diseases, we have discovered the 2-aminopyrido[2, 3-d]pyrimidin-7(8H)-ones as a novel class of potent, broadly active tyrosine kinase (TK) inhibitors. An efficient route was developed that enabled the synthesis of a wide variety of analogue... aid8083.table aid8083.tbin
8084 1 Title: 2-Substituted aminopyrido[2,3-d]pyrimidin-7(8H)-ones. structure-activity relationships against selected tyrosine kinases and in vitro and in vivo anticancer activity. Abstract: While engaged in therapeutic intervention against a number of proliferative diseases, we have discovered the 2-aminopyrido[2, 3-d]pyrimidin-7(8H)-ones as a novel class of potent, broadly active tyrosine kinase (TK) inhibitors. An efficient route was developed that enabled the synthesis of a wide variety of analogue... aid8084.table aid8084.tbin
8085 21 In vitro antiproliferative effect against A431 human epidermoid carcinoma cells aid8085.table aid8085.tbin
8086 2 Title: Nucleosides and nucleotides. 158. 1-(3-C-ethynyl-beta-D-ribo-pentofuranosyl)-cytosine, 1-(3-C-ethynyl-beta-D-ribo-pentofuranosyl)uracil, and their nucleobase analogues as new potential multifunctional antitumor nucleosides with a broad spectrum of activity. Abstract: We previously designed 1-(3-C-ethynyl-beta-D-ribo-pentofuranosyl)uracil (EUrd) as a potential multifunctional antitumor nucleoside antimetabolite. It showed a potent and broad spectrum of antitumor activity against various hu... aid8086.table aid8086.tbin
8087 1 Title: Cytotoxic effects of NSL-1406, a new thienopyrimidine derivative, on leukocytes and osteoclasts. Abstract: We synthesized a series of thienopyrimidine derivatives and examined their cytotoxic effects on several cell lines. One of the derivatives, NSL-1406, was shown to exert potent cytotoxic effects on leukemia cell line including P388 cells and J774 cells. It was also inhibitory on mouse osteoclasts and suppressed the in vitro bone resorption by osteoclasts at nanomolar concentrations. aid8087.table aid8087.tbin
8088 1 Title: Cytotoxic effects of NSL-1406, a new thienopyrimidine derivative, on leukocytes and osteoclasts. Abstract: We synthesized a series of thienopyrimidine derivatives and examined their cytotoxic effects on several cell lines. One of the derivatives, NSL-1406, was shown to exert potent cytotoxic effects on leukemia cell line including P388 cells and J774 cells. It was also inhibitory on mouse osteoclasts and suppressed the in vitro bone resorption by osteoclasts at nanomolar concentrations. aid8088.table aid8088.tbin
8089 15 Title: Discovery of a new class of anilinoquinazoline inhibitors with high affinity and specificity for the tyrosine kinase domain of c-Src. Abstract: Deregulated activity of the nonreceptor tyrosine kinase c-Src is believed to result in signal transduction, cytoskeletal and adhesion changes, ultimately promoting a tumor-invasive phenotype. We report here the discovery of a new class of anilinoquinazoline inhibitors with high affinity and specificity for the tyrosine kinase domain of the c-Src e... aid8089.table aid8089.tbin
8090 7 Title: Synthesis and biological activity of the new 5-fluorocytosine derivatives, 5'-deoxy-N-alkyloxycarbonyl-5-fluorocytosine-5'-carboxylic acid. Abstract: A series of 5-fluorocytosine derivatives, 5'-deoxy-N-alkyloxycarbonyl-5-fluorocytosine-5'-carboxylic acid 6, were synthesized and evaluated for their antitumor activity. aid8090.table aid8090.tbin
8091 4 Title: New photoaffinity analogs of paclitaxel. Abstract: Two new photoreactive paclitaxel analogs bearing [3H2]-3-(4-benzoyl)phenylpropanoyl group as the photophore as well as radiolabeling unit at the 7 and 10 positions, respectively, are developed. These new photoreactive analogs showed excellent preliminary results on the photoaffinity labeling of tubulin and P-glycoprotein. aid8091.table aid8091.tbin
8092 12 Title: Structures and cytotoxic properties of trichoverroids and their macrolide analogues produced by saltwater culture of Myrothecium verrucaria. Abstract: Saltwater culture of Myrothecium verrucaria, separated from a Spongia sp. collected in Hawaii, was a source of three new trichothecenes, 3-hydroxyroridin E (1a), 13'-acetyltrichoverrin B (2), and miophytocen C (3) and nine known related compounds (1b, 4, 5, 6, 7a, 7b, 8, 9a, and 9b). The stereostructures of the new compounds were establishe... aid8092.table aid8092.tbin
8093 5 Title: Synthesis and evaluation of pteroic acid-conjugated nitroheterocyclic phosphoramidates as folate receptor-targeted alkylating agents. Abstract: A novel nitroheterocyclic bis(haloethyl)phosphoramidate prodrug linked through lysine to a pteroic acid has been prepared and evaluated as a potential alkylating agent to target tumor cells that overexpress the folate receptor. The prodrug exhibited IC(50) values in the micromolar range and was 10-400-fold less cytotoxic in vitro than the phosphor... aid8093.table aid8093.tbin
8094 2 Title: Synthesis and evaluation of pteroic acid-conjugated nitroheterocyclic phosphoramidates as folate receptor-targeted alkylating agents. Abstract: A novel nitroheterocyclic bis(haloethyl)phosphoramidate prodrug linked through lysine to a pteroic acid has been prepared and evaluated as a potential alkylating agent to target tumor cells that overexpress the folate receptor. The prodrug exhibited IC(50) values in the micromolar range and was 10-400-fold less cytotoxic in vitro than the phosphor... aid8094.table aid8094.tbin
8095 6 Title: Synthesis and biological evaluation of 2'-carbamate-linked and 2'-carbonate-linked prodrugs of paclitaxel: selective activation by the tumor-associated protease plasmin. Abstract: The nontoxic paclitaxel-2'-carbamate prodrugs 2-5 and paclitaxel-2'-carbonate prodrug 6 were synthesized and tested for activation by the tumor-associated enzyme plasmin. A generally applicable method for the synthesis of paclitaxel-2'-carbamates was developed. In buffer solution, prodrug 2, which contained an u... aid8095.table aid8095.tbin
8096 5 Title: Longimicins A-D: novel bioactive acetogenins from Asimina longifolia (annonaceae) and structure-activity relationships of asimicin type of annonaceous acetogenins. Abstract: Bioactivity-directed fractionation of the ethanol extract of Asimina longifolia led to the isolation of four novel bioactive annonaceous acetogenins: longimicins A-D (1-4). Compounds 1-4 represent the asimicin type of acetogenins; however, the locations of the adjacent bis-tetrahydrofuran (THF) ring moieties are shift... aid8096.table aid8096.tbin
8097 3 Title: Longimicins A-D: novel bioactive acetogenins from Asimina longifolia (annonaceae) and structure-activity relationships of asimicin type of annonaceous acetogenins. Abstract: Bioactivity-directed fractionation of the ethanol extract of Asimina longifolia led to the isolation of four novel bioactive annonaceous acetogenins: longimicins A-D (1-4). Compounds 1-4 represent the asimicin type of acetogenins; however, the locations of the adjacent bis-tetrahydrofuran (THF) ring moieties are shift... aid8097.table aid8097.tbin
8098 7 Title: Selectively cytotoxic diterpenes from Euphorbia poisonii. Abstract: Bioactivity-guided fractionation of the latex of Euphorbia poisonii Pax. (Euphorbiaceae) led to the isolation and characterization of a new tigliane diterpene, 12-deoxyphorbol 13-(9,10-methylene)undecanoate (3), together with five known diterpenes (1,2,4-6). When evaluated for cytotoxicity in a panel of six human solid tumor cell lines, the diterpene esters, 1-3, 5, and 6, were selectively cytotoxic for the human kidney c... aid8098.table aid8098.tbin
8099 2 Title: Antineoplastic agents. 410. Asymmetric hydroxylation of trans-combretastatin A-4. Abstract: The South African willow tree Combretum caffrum has yielded a number of potent cancer cell growth inhibitors. The present SAR studies of the antineoplastic agent combretastatin A-4 (1c) were focused mainly on the olefinic bridge to determine the effects on cancer cell growth and, potentially, to better define the combretastatin A-4 binding site on tubulin. The geometric trans-isomer 3a of combretas... aid8099.table aid8099.tbin
8100 1 Compound was tested for inhibition of A498 human renal cancer cell line aid8100.table aid8100.tbin
8101 2 Growth inhibitory activity against A498 human cancer cell line aid8101.table aid8101.tbin
8102 1 Title: Synthesis of C-8 methanesulphonate substituted pyrrolobenzodiazepines as potential antitumour agents. Abstract: The facile synthesis of C-8 methanesulphonate substituted pyrrolobenzodiazepines is described. These have been prepared by linking the methanesulphonate at C-8 position with alkanol spacer and their in vitro cytotoxicity have been described. aid8102.table aid8102.tbin
8103 10 Title: Biological investigation and structure-activity relationship studies on azadirone from Azadirachta indica A. Juss. Abstract: Azadirone 1, a limonoidal constituent of Azadirachta indica is found to possess potent cytotoxic activity against a panel of human cancer cell lines in our in vitro studies. In vitro screening of a number of semi-synthetic analogues of 1 revealed that the alpha,beta-unsaturated enone moiety or its equivalent conjugated system in A-ring, C-7 acetyloxy/chloroacetyloxy... aid8103.table aid8103.tbin
8104 1 Title: Novel 6,7-diphenyl-2,3,8,8a-tetrahydro-1H-indolizin-5-one analogues as cytotoxic agents. Abstract: A series of 6,7-diphenyl-2,3,8,8a-tetrahydro-1H-indolizin-5-one analogues were synthesized and evaluated for cytotoxic activity against eight human cancer cell lines. Compounds 18, 21, 28, 29, 30 and 31 showed cytotoxic activity with GI(50) values in the range of 2.1-8.1 microM concentration. Among these, compounds 21 and 28 exhibited good pharmacokinetic properties. These compounds were fur... aid8104.table aid8104.tbin
8105 2 Title: Antineoplastic agents. 278. Isolation and structure of axinastatins 2 and 3 from a western Caroline Island marine sponge. Abstract: The Republic of Palau marine sponge Axinella sp. was found to be an exceptionally productive source of cell growth inhibitory substances. The strongly antineoplastic polyether macrocyclic lactones halichondrin B (1) and homohalichondrin B (2) were isolated in 1.2 x 10(-6)% and 5.4 x 10(-7)% yields, respectively. In addition to axinastatin 1 (3), two new and c... aid8105.table aid8105.tbin
8106 3 Title: Antineoplastic agents. 379. Synthesis of phenstatin phosphate. Abstract: A structure-activity relationship (SAR) study of the South African willow tree (Combretum caffrum) antineoplastic constituent combretastatin A-4 (1b) directed at maintaining the (Z)-stilbene relationship of the olefin diphenyl substituents led to synthesis of a potent cancer cell growth inhibitor designated phenstatin (3b). Initially phenstatin silyl ether (3a) was unexpectedly obtained by Jacobsen oxidation of combr... aid8106.table aid8106.tbin
8107 24 Title: Biological investigation and structure-activity relationship studies on azadirone from Azadirachta indica A. Juss. Abstract: Azadirone 1, a limonoidal constituent of Azadirachta indica is found to possess potent cytotoxic activity against a panel of human cancer cell lines in our in vitro studies. In vitro screening of a number of semi-synthetic analogues of 1 revealed that the alpha,beta-unsaturated enone moiety or its equivalent conjugated system in A-ring, C-7 acetyloxy/chloroacetyloxy... aid8107.table aid8107.tbin
8108 1 Title: Potent, orally bioavailable somatostatin agonists: good absorption achieved by urea backbone cyclization. Abstract: Backbone cyclization of urea-based somatostatin agonists resulted in novel, orally bioavailable agonists. Binding assays confirmed that the resulting conformationally constrained cyclic ureas retained the potency of their acyclic counterparts. SAR studies subsequently led to highly potent analogs, selective for receptor subtype 2, and having good oral bioavailability. aid8108.table aid8108.tbin
8109 5 Title: Potent, orally bioavailable somatostatin agonists: good absorption achieved by urea backbone cyclization. Abstract: Backbone cyclization of urea-based somatostatin agonists resulted in novel, orally bioavailable agonists. Binding assays confirmed that the resulting conformationally constrained cyclic ureas retained the potency of their acyclic counterparts. SAR studies subsequently led to highly potent analogs, selective for receptor subtype 2, and having good oral bioavailability. aid8109.table aid8109.tbin
8110 1 Title: Potent, orally bioavailable somatostatin agonists: good absorption achieved by urea backbone cyclization. Abstract: Backbone cyclization of urea-based somatostatin agonists resulted in novel, orally bioavailable agonists. Binding assays confirmed that the resulting conformationally constrained cyclic ureas retained the potency of their acyclic counterparts. SAR studies subsequently led to highly potent analogs, selective for receptor subtype 2, and having good oral bioavailability. aid8110.table aid8110.tbin
8111 1 Title: Potent, orally bioavailable somatostatin agonists: good absorption achieved by urea backbone cyclization. Abstract: Backbone cyclization of urea-based somatostatin agonists resulted in novel, orally bioavailable agonists. Binding assays confirmed that the resulting conformationally constrained cyclic ureas retained the potency of their acyclic counterparts. SAR studies subsequently led to highly potent analogs, selective for receptor subtype 2, and having good oral bioavailability. aid8111.table aid8111.tbin
8112 1 Title: An enantioselective fluorimetric assay for alcohol dehydrogenases using albumin-catalyzed beta-elimination of umbelliferone. Abstract: 3-hydroxybutyl umbelliferyl ethers (R)-1 and (S)-1 are fluorogenic substrates for alcohol dehydrogenases. Their oxidation forms ketone 2, which undergoes beta-elimination of umbelliferone under catalysis by bovine serum albumin, leading to a &gt; 20-fold fluorescence increase at lambda em = 460 +/- 20 nm (lambda ex = 360 +/- 20 nm). Enantioselectivity is d... aid8112.table aid8112.tbin
8113 1 Title: An enantioselective fluorimetric assay for alcohol dehydrogenases using albumin-catalyzed beta-elimination of umbelliferone. Abstract: 3-hydroxybutyl umbelliferyl ethers (R)-1 and (S)-1 are fluorogenic substrates for alcohol dehydrogenases. Their oxidation forms ketone 2, which undergoes beta-elimination of umbelliferone under catalysis by bovine serum albumin, leading to a &gt; 20-fold fluorescence increase at lambda em = 460 +/- 20 nm (lambda ex = 360 +/- 20 nm). Enantioselectivity is d... aid8113.table aid8113.tbin
8114 1 Title: An enantioselective fluorimetric assay for alcohol dehydrogenases using albumin-catalyzed beta-elimination of umbelliferone. Abstract: 3-hydroxybutyl umbelliferyl ethers (R)-1 and (S)-1 are fluorogenic substrates for alcohol dehydrogenases. Their oxidation forms ketone 2, which undergoes beta-elimination of umbelliferone under catalysis by bovine serum albumin, leading to a &gt; 20-fold fluorescence increase at lambda em = 460 +/- 20 nm (lambda ex = 360 +/- 20 nm). Enantioselectivity is d... aid8114.table aid8114.tbin
8115 18 Title: Inhibition of human sputum elastase by substituted 2-pyrones. Abstract: Nineteen 4-hydroxy- and 4-methoxy-2-pyrones related to elasnin (I) have been assayed for in vitro inhibition of human sputum elastase (HSE), porcine pancreatic elastase, alpha-chymotrypsin, and trypsin. Inhibition is reported as Ki and Ki'; percentage inhibition was dependent on [S] in a number of cases, making it unsuitable as a measure of relative inhibition. The 3-(1-oxoalkyl)-4-hydroxy-6-alkyl-2-pyrones were found... aid8115.table aid8115.tbin
8116 1 Title: An enantioselective fluorimetric assay for alcohol dehydrogenases using albumin-catalyzed beta-elimination of umbelliferone. Abstract: 3-hydroxybutyl umbelliferyl ethers (R)-1 and (S)-1 are fluorogenic substrates for alcohol dehydrogenases. Their oxidation forms ketone 2, which undergoes beta-elimination of umbelliferone under catalysis by bovine serum albumin, leading to a &gt; 20-fold fluorescence increase at lambda em = 460 +/- 20 nm (lambda ex = 360 +/- 20 nm). Enantioselectivity is d... aid8116.table aid8116.tbin
8117 1 Title: An enantioselective fluorimetric assay for alcohol dehydrogenases using albumin-catalyzed beta-elimination of umbelliferone. Abstract: 3-hydroxybutyl umbelliferyl ethers (R)-1 and (S)-1 are fluorogenic substrates for alcohol dehydrogenases. Their oxidation forms ketone 2, which undergoes beta-elimination of umbelliferone under catalysis by bovine serum albumin, leading to a &gt; 20-fold fluorescence increase at lambda em = 460 +/- 20 nm (lambda ex = 360 +/- 20 nm). Enantioselectivity is d... aid8117.table aid8117.tbin
8118 12 Half life (t) of enzymatic phosphodiester hydrolysis of compound towards calf spleen (CS-PDE) at a concentration of 20 microg aid8118.table aid8118.tbin
8119 6 Title: Rational design of a new series of pronucleotide. Abstract: A new pronucleotide series is described involving a two-step degradation process mediated by, respectively, carboxylesterase and phosphoramidase. Taking AZT as nucleosidyl moiety, it is shown that most of the compounds inhibit HIV replication in TK(-) cell line, which proves 5'-AZTMP delivery. aid8119.table aid8119.tbin
8120 1 Title: Rational design of a new series of pronucleotide. Abstract: A new pronucleotide series is described involving a two-step degradation process mediated by, respectively, carboxylesterase and phosphoramidase. Taking AZT as nucleosidyl moiety, it is shown that most of the compounds inhibit HIV replication in TK(-) cell line, which proves 5'-AZTMP delivery. aid8120.table aid8120.tbin
8121 4 Title: Synthesis, structure-activity relationships, and drug resistance of beta-d-3'-fluoro-2',3'-unsaturated nucleosides as anti-HIV Agents. Abstract: Our recent studies demonstrated that d- and l-2'-fluoro-2',3'-unsaturated nucleosides (d- and l-2'-F-d4Ns) display moderate to potent antiviral activities against HIV-1 and HBV. As an extension of these findings, beta-d-3'-fluoro-2',3'-unsaturated nucleosides were synthesized as potential antiviral agents. The key intermediate (2S)-5-(1,3-dioxola... aid8121.table aid8121.tbin
8122 3 Enzymatic stability was assessed with bovine spleen phosphodiesterase (BS PDE) exonuclase aid8122.table aid8122.tbin
8123 1 Title: An enantioselective fluorimetric assay for alcohol dehydrogenases using albumin-catalyzed beta-elimination of umbelliferone. Abstract: 3-hydroxybutyl umbelliferyl ethers (R)-1 and (S)-1 are fluorogenic substrates for alcohol dehydrogenases. Their oxidation forms ketone 2, which undergoes beta-elimination of umbelliferone under catalysis by bovine serum albumin, leading to a &gt; 20-fold fluorescence increase at lambda em = 460 +/- 20 nm (lambda ex = 360 +/- 20 nm). Enantioselectivity is d... aid8123.table aid8123.tbin
8124 2 Title: Rational design of a new series of mixed anti-HIV pronucleotides. Abstract: MonoSATE aryl phosphotriesters of AZT are able to deliver intracellularly the corresponding 5'-mononucleotide. This process requires activation by an esterase followed by a phosphodiesterase. This finding opens the way to the design of new pronucleotide series. aid8124.table aid8124.tbin
8125 1 Title: Rational design of a new series of mixed anti-HIV pronucleotides. Abstract: MonoSATE aryl phosphotriesters of AZT are able to deliver intracellularly the corresponding 5'-mononucleotide. This process requires activation by an esterase followed by a phosphodiesterase. This finding opens the way to the design of new pronucleotide series. aid8125.table aid8125.tbin
8126 1 Title: Rational design of a new series of mixed anti-HIV pronucleotides. Abstract: MonoSATE aryl phosphotriesters of AZT are able to deliver intracellularly the corresponding 5'-mononucleotide. This process requires activation by an esterase followed by a phosphodiesterase. This finding opens the way to the design of new pronucleotide series. aid8126.table aid8126.tbin
8127 3 Half-life in the culture medium (RPMI 1640+10% fetal calf serum FCS) aid8127.table aid8127.tbin
8128 17 Title: Discovery of a potent, selective and orally active canine COX-2 inhibitor, 2-(3-difluoromethyl-5-phenyl-pyrazol-1-yl)-5-methanesulfonyl-pyridine. Abstract: Structure-activity relationship (SAR) studies of 2-[3-di(and tri)fluoromethyl-5-arylpyrazol-1-yl]-5-methanesulfonylpyridine derivatives for canine COX enzymes are described. This led to the identification of 12a as a lead candidate for further progression. The in vitro and in vivo activity of 12a for the canine COX-2 enzyme as well as ... aid8128.table aid8128.tbin
8129 1 Title: Tiplaxtinin, a novel, orally efficacious inhibitor of plasminogen activator inhibitor-1: design, synthesis, and preclinical characterization. Abstract: Indole oxoacetic acid derivatives were prepared and evaluated for in vitro binding to and inactivation of human plasminogen activator inhibitor-1 (PAI-1). SAR based on biochemical, physiological, and pharmacokinetic attributes led to identification of tiplaxtinin as the optimal selective PAI-1 inhibitor. Tiplaxtinin exhibited in vivo oral ... aid8129.table aid8129.tbin
8130 4 Title: Identification of a novel 1'-[5-((3,5-dichlorobenzoyl)methylamino)-3-(3,4-dichlorophenyl)-4-(methoxyimino)pentyl]-2-oxo-(1,4'-bipiperidine) as a dual NK(1)/NK(2) antagonist. Abstract: A novel series of dual NK(1)/NK(2) receptor antagonists, based on the 2-oxo-(1,4'-bipiperidine) template, has been prepared. Compound 10R is a potent dual NK(1)/NK(2) antagonist and demonstrates excellent in vivo activity and good oral plasma levels in the dog. aid8130.table aid8130.tbin
8131 1 Title: Structure-based design, synthesis, and biological evaluation of irreversible human rhinovirus 3C protease inhibitors. 6. Structure-activity studies of orally bioavailable, 2-pyridone-containing peptidomimetics. Abstract: The structure-based design, chemical synthesis, and biological evaluation of various 2-pyridone-containing human rhinovirus (HRV) 3C protease (3CP) inhibitors are described. These compounds are comprised of a peptidomimetic binding determinant and a Michael acceptor moiet... aid8131.table aid8131.tbin
8132 1 Title: Structure-based design, synthesis, and biological evaluation of irreversible human rhinovirus 3C protease inhibitors. 6. Structure-activity studies of orally bioavailable, 2-pyridone-containing peptidomimetics. Abstract: The structure-based design, chemical synthesis, and biological evaluation of various 2-pyridone-containing human rhinovirus (HRV) 3C protease (3CP) inhibitors are described. These compounds are comprised of a peptidomimetic binding determinant and a Michael acceptor moiet... aid8132.table aid8132.tbin
8133 2 Title: Methyloxime-substituted aminopyrrolidine: a new surrogate for 7-basic group of quinolone. Abstract: Novel fluoroquinolones containing oxime functionalized aminopyrrolidines have been synthesized. They were found to possess potent antibacterial activities against both Gram-negative and Gram-positive organisms, including methicillin resistant Staphylococcus aureus (MRSA). Among these compounds, LB20277 (compound 12) showed the most favorable in vivo efficacy and pharmacokinetic profile in a... aid8133.table aid8133.tbin
8134 1 Title: Tiplaxtinin, a novel, orally efficacious inhibitor of plasminogen activator inhibitor-1: design, synthesis, and preclinical characterization. Abstract: Indole oxoacetic acid derivatives were prepared and evaluated for in vitro binding to and inactivation of human plasminogen activator inhibitor-1 (PAI-1). SAR based on biochemical, physiological, and pharmacokinetic attributes led to identification of tiplaxtinin as the optimal selective PAI-1 inhibitor. Tiplaxtinin exhibited in vivo oral ... aid8134.table aid8134.tbin
8135 23 Title: Novel, potent non-covalent thrombin inhibitors incorporating p(3)-lactam scaffolds. Abstract: Evolution of P(1)-argininal inhibitor prototypes led to a series of non-covalent P(3)-7-membered lactam inhibitors 1a-w, featuring novel peptidomimetic units that probe each of the S(1), S(2), and S(3) specificity pockets of thrombin. Rigid P(1)-arginine surrogates possessing a wide range of basicity (calcd pK(a)'s approximately neutral-14) were surveyed. The design, synthesis, and biological act... aid8135.table aid8135.tbin
8136 1 Title: Synthesis and evaluation of potent and selective beta(3) adrenergic receptor agonists containing acylsulfonamide, sulfonylsulfonamide, and sulfonylurea carboxylic acid isosteres. Abstract: Starting from phenethanolamine aniline leads 3a and 3b, we have identified a series of functionally potent and selective beta(3) adrenergic receptor (AR) agonists containing acylsulfonamide, sulfonylsulfonamide, or sulfonylurea groups within the aniline phenethanolamine series. In beta(3), beta(2), and ... aid8136.table aid8136.tbin
8137 1 Title: Discovery of novel, orally active dual NK1/NK2 antagonists. Abstract: Exploration of the SAR around selective NK2 antagonists, SR48968 and ZD7944, led to the discovery that naphth-1-amide analogues provide potent dual NK1 and NK2 antagonists. ZD6021 inhibited binding of [3H]-NKA or [3H]-SP to human NK1 and NK2 receptors, with high-affinity (K(i)=0.12 and 0.62nM, respectively). In functional assays ZD6021 had, at 10(-7)M, in human pulmonary artery pK(B)=8.9 and in human bronchus pK(B)=7.3,... aid8137.table aid8137.tbin
8138 1 Title: Discovery of novel, orally active dual NK1/NK2 antagonists. Abstract: Exploration of the SAR around selective NK2 antagonists, SR48968 and ZD7944, led to the discovery that naphth-1-amide analogues provide potent dual NK1 and NK2 antagonists. ZD6021 inhibited binding of [3H]-NKA or [3H]-SP to human NK1 and NK2 receptors, with high-affinity (K(i)=0.12 and 0.62nM, respectively). In functional assays ZD6021 had, at 10(-7)M, in human pulmonary artery pK(B)=8.9 and in human bronchus pK(B)=7.3,... aid8138.table aid8138.tbin
8139 4 Title: Discovery of a potent, orally bioavailable beta(3) adrenergic receptor agonist, (R)-N-[4-[2-[[2-hydroxy-2-(3-pyridinyl)ethyl]amino]ethyl]phenyl]-4-[4 -[4-(trifluoromethyl)phenyl]thiazol-2-yl]benzenesulfonamide. Abstract: As part of our investigation into the development of orally bioavailable beta(3) adrenergic receptor agonists, we have identified a series of pyridylethanolamine analogues possessing a substituted thiazole benzenesulfonamide pharmacophore that are potent human beta(3) ago... aid8139.table aid8139.tbin
8140 4 Title: Discovery of a potent, orally bioavailable beta(3) adrenergic receptor agonist, (R)-N-[4-[2-[[2-hydroxy-2-(3-pyridinyl)ethyl]amino]ethyl]phenyl]-4-[4 -[4-(trifluoromethyl)phenyl]thiazol-2-yl]benzenesulfonamide. Abstract: As part of our investigation into the development of orally bioavailable beta(3) adrenergic receptor agonists, we have identified a series of pyridylethanolamine analogues possessing a substituted thiazole benzenesulfonamide pharmacophore that are potent human beta(3) ago... aid8140.table aid8140.tbin
8141 7 Title: HIV-1 protease inhibitors with picomolar potency against PI-resistant HIV-1 by modification of the P1' substituent. Abstract: Transposition of the pyridyl nitrogen from the P(3) substituent to the P(1)' substituent in HIV-1 protease inhibitors (PI) affords compounds such as 3 with an improved inhibitory profile against multiple P450 isoforms. These compounds also displayed increased potency, with 3 inhibiting viral spread (CIC(95)) at &lt;8 nM for every strain of PI-resistant HIV-1 tested... aid8141.table aid8141.tbin
8142 1 Title: Potent and orally bioavailable noncysteine-containing inhibitors of protein farnesyltransferase. Abstract: Potent and orally bioavailable nonthiol-containing inhibitors of protein farnesyltransferase are described. Oral bioavailability was achieved by replacement of the pyridyl ether moiety of 1 with a 2-substituted furan ether to give 4. Potency was regained with 2,5-disubstituted furan ethers while maintaining the bioavailability inherent in 4. p-Chlorophenylfuran ether 24 is 0.7 nM in ... aid8142.table aid8142.tbin
8143 1 Title: Potent and orally bioavailable noncysteine-containing inhibitors of protein farnesyltransferase. Abstract: Potent and orally bioavailable nonthiol-containing inhibitors of protein farnesyltransferase are described. Oral bioavailability was achieved by replacement of the pyridyl ether moiety of 1 with a 2-substituted furan ether to give 4. Potency was regained with 2,5-disubstituted furan ethers while maintaining the bioavailability inherent in 4. p-Chlorophenylfuran ether 24 is 0.7 nM in ... aid8143.table aid8143.tbin
8144 2 Title: Novel HIV-1 protease inhibitors active against multiple PI-resistant viral strains: coadministration with indinavir. Abstract: HIV-1 protease inhibitors (PI) with an N-arylpyrrole moiety in the P(3) position afforded excellent antiviral potency and substantially improved aqueous solubility over previously reported variants. The rapid in vitro clearance of these compounds in human liver microsomes prompted oral coadministration with indinavir to hinder their metabolism by the cyctochrome P... aid8144.table aid8144.tbin
8145 2 Title: Novel HIV-1 protease inhibitors active against multiple PI-resistant viral strains: coadministration with indinavir. Abstract: HIV-1 protease inhibitors (PI) with an N-arylpyrrole moiety in the P(3) position afforded excellent antiviral potency and substantially improved aqueous solubility over previously reported variants. The rapid in vitro clearance of these compounds in human liver microsomes prompted oral coadministration with indinavir to hinder their metabolism by the cyctochrome P... aid8145.table aid8145.tbin
8146 2 Title: Novel HIV-1 protease inhibitors active against multiple PI-resistant viral strains: coadministration with indinavir. Abstract: HIV-1 protease inhibitors (PI) with an N-arylpyrrole moiety in the P(3) position afforded excellent antiviral potency and substantially improved aqueous solubility over previously reported variants. The rapid in vitro clearance of these compounds in human liver microsomes prompted oral coadministration with indinavir to hinder their metabolism by the cyctochrome P... aid8146.table aid8146.tbin
8147 1 Title: Novel HIV-1 protease inhibitors active against multiple PI-resistant viral strains: coadministration with indinavir. Abstract: HIV-1 protease inhibitors (PI) with an N-arylpyrrole moiety in the P(3) position afforded excellent antiviral potency and substantially improved aqueous solubility over previously reported variants. The rapid in vitro clearance of these compounds in human liver microsomes prompted oral coadministration with indinavir to hinder their metabolism by the cyctochrome P... aid8147.table aid8147.tbin
8148 1 Title: Synthesis and biological activity of peptidyl aldehyde urokinase inhibitors. Abstract: Solid- and solution-phase synthesis of peptidomimetic inhibitors of urokinase-type plasminogen activator based on the sequence dSerAlaArg-al are described. The biological activities of these unique inhibitors are reported herein. Carbonate prodrugs were prepared and tested as potential drug delivery systems. aid8148.table aid8148.tbin
8149 2 Title: Synthesis and activity of novel HIV protease inhibitors with improved potency against multiple PI-resistant viral strains. Abstract: Substitution of the t-butylcarboxamide substituent in analogues of the HIV protease inhibitor (PI) Indinavir with a trifluoroethylamide moiety confers greater potency against both the wild-type (NL4-3) virus and PI-resistant HIV. The trifluoroethyl substituent also affords a slower clearance rate in vivo (dogs); however, this may be due to more potent inhibi... aid8149.table aid8149.tbin
8150 2 Title: HIV protease inhibitors with picomolar potency against PI-Resistant HIV-1 by extension of the P3 substituent. Abstract: A biaryl pyridylfuran P(3) substituent on the hydroxyethylene isostere scaffold affords HIV protease inhibitors (PI's) with picomolar (IC(50)) potency against the protease enzymes from PI-resistant HIV-1 strains. Inclusion of a gem-dimethyl substituent afforded compound 3 with 100% oral bioavailability (dogs) and more than double the t(1/2) of indinavir. Inhibition of mu... aid8150.table aid8150.tbin
8151 3 Title: HIV protease inhibitors with picomolar potency against PI-Resistant HIV-1 by extension of the P3 substituent. Abstract: A biaryl pyridylfuran P(3) substituent on the hydroxyethylene isostere scaffold affords HIV protease inhibitors (PI's) with picomolar (IC(50)) potency against the protease enzymes from PI-resistant HIV-1 strains. Inclusion of a gem-dimethyl substituent afforded compound 3 with 100% oral bioavailability (dogs) and more than double the t(1/2) of indinavir. Inhibition of mu... aid8151.table aid8151.tbin
8152 1 Title: Indinavir analogues with blocked metabolism sites as HIV protease inhibitors with improved pharmacological profiles and high potency against PI-resistant viral strains. Abstract: Indinavir analogues with blocked metabolism sites show highly improved pharmacokinetic profiles in animals. The cis-aminochromanol substituted analogues exhibited excellent potency against both the wild-type (NL4-3) virus and protease inhibitor-resistant HIV strains. aid8152.table aid8152.tbin
8153 2 Title: Indinavir analogues with blocked metabolism sites as HIV protease inhibitors with improved pharmacological profiles and high potency against PI-resistant viral strains. Abstract: Indinavir analogues with blocked metabolism sites show highly improved pharmacokinetic profiles in animals. The cis-aminochromanol substituted analogues exhibited excellent potency against both the wild-type (NL4-3) virus and protease inhibitor-resistant HIV strains. aid8153.table aid8153.tbin
8154 3 Title: Substituted oxazole benzenesulfonamides as potent human beta3 adrenergic receptor agonists. Abstract: As a part of our investigation into the development of orally bioavailable beta3 adrenergic receptor agonists, we have identified a series of substituted oxazole derivatives that are potent beta3 agonists with excellent selectivity against other beta receptors. Several of these compounds showed excellent oral bioavailability in dogs. One example, cyclopentylethyloxazole 5f is a potent bet... aid8154.table aid8154.tbin
8155 1 Title: Substituted oxazole benzenesulfonamides as potent human beta3 adrenergic receptor agonists. Abstract: As a part of our investigation into the development of orally bioavailable beta3 adrenergic receptor agonists, we have identified a series of substituted oxazole derivatives that are potent beta3 agonists with excellent selectivity against other beta receptors. Several of these compounds showed excellent oral bioavailability in dogs. One example, cyclopentylethyloxazole 5f is a potent bet... aid8155.table aid8155.tbin
8156 4 Title: Substituted oxazole benzenesulfonamides as potent human beta3 adrenergic receptor agonists. Abstract: As a part of our investigation into the development of orally bioavailable beta3 adrenergic receptor agonists, we have identified a series of substituted oxazole derivatives that are potent beta3 agonists with excellent selectivity against other beta receptors. Several of these compounds showed excellent oral bioavailability in dogs. One example, cyclopentylethyloxazole 5f is a potent bet... aid8156.table aid8156.tbin
8157 1 Area under curve was evaluated against Beagle dog at a dose of 15 mg/kg after po administration aid8157.table aid8157.tbin
8158 2 Title: Synthesis and biological evaluation of 2-indolyloxazolines as a new class of tubulin polymerization inhibitors. Discovery of A-289099 as an orally active antitumor agent. Abstract: A series of indole containing oxazolines has been discovered as a result of structural modifications of the lead compound A-105972. The compounds exert their anticancer activity through inhibition of tubulin polymerization by binding at the colchicine site. A-289099 was identified as an orally active antimitoti... aid8158.table aid8158.tbin
8159 1 Title: Muscarinic M(3) receptor antagonists with (2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxyphenylacetamide Structures. Part 2. Abstract: Optimization of the amine part of our original muscarinic M(3) receptor antagonist 1 was performed to identify M(3) receptor antagonists that are superior to 1. Compounds carrying a variety of diamine moieties without hydrophobic substituent on the nitrogen atom were screened against the binding affinity for the M(3) receptor and the selectivity for M(3) o... aid8159.table aid8159.tbin
8160 1 Title: Muscarinic M(3) receptor antagonists with (2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxyphenylacetamide Structures. Part 2. Abstract: Optimization of the amine part of our original muscarinic M(3) receptor antagonist 1 was performed to identify M(3) receptor antagonists that are superior to 1. Compounds carrying a variety of diamine moieties without hydrophobic substituent on the nitrogen atom were screened against the binding affinity for the M(3) receptor and the selectivity for M(3) o... aid8160.table aid8160.tbin
8161 1 Title: N-(cycloalkylamino)acyl-2-aminothiazole inhibitors of cyclin-dependent kinase 2. N-[5-[[[5-(1,1-dimethylethyl)-2-oxazolyl]methyl]thio]-2-thiazolyl]-4- piperidinecarboxamide (BMS-387032), a highly efficacious and selective antitumor agent. Abstract: N-Acyl-2-aminothiazoles with nonaromatic acyl side chains containing a basic amine were found to be potent, selective inhibitors of CDK2/cycE which exhibit antitumor activity in mice. In particular, compound 21 [N-[5-[[[5-(1,1-dimethylethyl)-2-... aid8161.table aid8161.tbin
8162 1 Title: N-hydroxyformamide peptidomimetics as TACE/matrix metalloprotease inhibitors: oral activity via P1' isobutyl substitution. Abstract: N-Hydroxyformamide-class metalloprotease inhibitors were designed and synthesized, which have potent broad-spectrum activity versus matrix metalloproteases and TNF-alpha converting enzyme (TACE). Compound 13c possesses good oral and intravenous pharmacokinetics in the rat and dog. aid8162.table aid8162.tbin
8163 2 Title: Synthesis, hydrolytic activation and cytotoxicity of etoposide prodrugs. Abstract: Two 4'-propylcarbonoxy derivatives (2,3) of etoposide (1), a topoisomerase II inhibitor, were synthesized and evaluated as potential prodrugs for anticancer therapy. Their activation via hydrolysis mechanisms was determined as a function of pH in buffer solutions, in human serum and in the presence of carboxyl ester hydrolase. Cytotoxicity was determined on various tumor cell lines and compared to the paren... aid8163.table aid8163.tbin
8164 2 Title: Synthesis, hydrolytic activation and cytotoxicity of etoposide prodrugs. Abstract: Two 4'-propylcarbonoxy derivatives (2,3) of etoposide (1), a topoisomerase II inhibitor, were synthesized and evaluated as potential prodrugs for anticancer therapy. Their activation via hydrolysis mechanisms was determined as a function of pH in buffer solutions, in human serum and in the presence of carboxyl ester hydrolase. Cytotoxicity was determined on various tumor cell lines and compared to the paren... aid8164.table aid8164.tbin
8165 2 Title: Synthesis, hydrolytic activation and cytotoxicity of etoposide prodrugs. Abstract: Two 4'-propylcarbonoxy derivatives (2,3) of etoposide (1), a topoisomerase II inhibitor, were synthesized and evaluated as potential prodrugs for anticancer therapy. Their activation via hydrolysis mechanisms was determined as a function of pH in buffer solutions, in human serum and in the presence of carboxyl ester hydrolase. Cytotoxicity was determined on various tumor cell lines and compared to the paren... aid8165.table aid8165.tbin
8166 2 Title: Synthesis, hydrolytic activation and cytotoxicity of etoposide prodrugs. Abstract: Two 4'-propylcarbonoxy derivatives (2,3) of etoposide (1), a topoisomerase II inhibitor, were synthesized and evaluated as potential prodrugs for anticancer therapy. Their activation via hydrolysis mechanisms was determined as a function of pH in buffer solutions, in human serum and in the presence of carboxyl ester hydrolase. Cytotoxicity was determined on various tumor cell lines and compared to the paren... aid8166.table aid8166.tbin
8167 15 Title: beta-Lactam derivatives as inhibitors of human cytomegalovirus protease. Abstract: The development of novel monobactam inhibitors of HCMV protease incorporating a carbon side chain at C-4 and a urea function at N-1 is described. Substitution with small groups at the C-3 position of the beta-lactam ring gave an increase in enzymatic activity and in stability; however, a lack of selectivity against other serine proteases was noted. The use of both tri- and tetrasubstituted urea functionalit... aid8167.table aid8167.tbin
8168 1 Biological half life in human plasma (stability to human renal dehydropeptidase I,DHP-I). aid8168.table aid8168.tbin
8169 6 Title: Proteasome inhibitors; synthesis and activity of arecoline oxide tripeptide derivatives. Abstract: We describe the synthesis and biological activities of a series of methyl 3,4-epoxypiperidine-3-carboxylate tripeptide derivatives that inhibit the chymotryptic and tryptic active sites of the 20S proteasome. Of the series, compound 2 which contains 3-hydroxy-2-methylbenzoyl group at its N-terminal position, displayed the greatest inhibitory potency (IC(50) &lt;1 microM). All derivatives sho... aid8169.table aid8169.tbin
8170 22 Title: Pyrrolidine-5,5-trans-lactams as novel mechanism-based inhibitors of human cytomegalovirus protease. Part 3: potency and plasma stability. Abstract: Mechanism-based inhibitors of HCMV protease, which are stable to human plasma (&gt; or = 20 h) and have single-figure potency in the microM range against HCMV protease, have been developed based on the dansylproline alpha-methyl pyrrolidine-5,5-trans-lactam nucleus. aid8170.table aid8170.tbin
8171 4 Title: Cephalosporin prodrugs of paclitaxel for immunologically specific activation by L-49-sFv-beta-lactamase fusion protein. Abstract: Paclitaxel conjugates of 7-phenylacetamidocephalosporanic acid were prepared as prodrugs for site specific activation by targeted beta-lactamase. Immunologically specific activation of the prodrug 5 containing 3,3-dimethyl-4-amino-butyric acid as linker in combination with the fusion protein L-49-sFv-beta-lactamase was demonstrated in vitro on 3677 melanoma cel... aid8171.table aid8171.tbin
8172 1 Title: Structure-based design, synthesis, and biological evaluation of irreversible human rhinovirus 3C protease inhibitors. 6. Structure-activity studies of orally bioavailable, 2-pyridone-containing peptidomimetics. Abstract: The structure-based design, chemical synthesis, and biological evaluation of various 2-pyridone-containing human rhinovirus (HRV) 3C protease (3CP) inhibitors are described. These compounds are comprised of a peptidomimetic binding determinant and a Michael acceptor moiet... aid8172.table aid8172.tbin
8173 27 Title: 2-Aryl-3,6-dialkyl-5-dialkylaminopyrimidin-4-ones as novel crf-1 receptor antagonists. Abstract: The discovery, synthesis and structure-activity studies of a novel series of 2-arylpyrimidin-4-ones as CRF-1 receptor antagonists is described. These compounds are structurally simple and display appropriate physical properties for CNS agents aid8173.table aid8173.tbin
8174 6 Title: Dimeric L-dopa derivatives as potential prodrugs. Abstract: A series of dimeric derivatives (+)-1, and (+)-2, and (+)-3a-d of L-Dopa diacetyl esters was synthesized and evaluated as potential L-Dopa prodrugs with improved physicochemical properties. All the new compounds showed chemical stability in aqueous buffer solutions (pH 1.3 and 7.4). A relatively slow release of L-Dopa in human plasma was observed. aid8174.table aid8174.tbin
8175 2 Title: Synthesis, in vitro evaluation, and antileishmanial activity of water-soluble prodrugs of buparvaquone. Abstract: Water-soluble phosphate prodrugs of buparvaquone (1), containing a hydroxynaphthoquinone structure, were synthesized and evaluated in vitro for improved topical and oral drug delivery against cutaneous and visceral leishmaniasis. The successful prodrug synthesis involved a strong base; e.g., sodium hydride. Buparvaquone-3-phosphate (4a) and 3-phosphonooxymethyl-buparvaquone (4... aid8175.table aid8175.tbin
8176 1 Title: In vivo inhibition of cathepsin B by peptidyl (acyloxy)methyl ketones. Abstract: Peptidyl (acyloxy)methyl ketones, previously established as potent irreversible inhibitors of the cysteine proteinase cathepsin B in vitro, were investigated and optimized for their inhibitory activity in vivo. Incorporation of polar or charged functional groups in the inhibitor structure afforded effective cathepsin B inhibition, following dosing to rats. The most effective inhibitor, Z-Phe-Lys-CH2OCO-(2,4,6... aid8176.table aid8176.tbin
8177 5 Title: Anti-HIV pronucleotides: decomposition pathways and correlation with biological activities. Abstract: The purpose of the present study was to compare the decomposition pathways in CEM cell extracts of various phenyl phosphoramidate derivatives of AZT. In addition, the structures of their metabolites were identified. Correlations with their anti-HIV activities in a thymidine kinase deficient (TK-) CEM cell line have been established with a rationale of designing phosphoramidate pronucleoti... aid8177.table aid8177.tbin
8178 2 Title: Synthesis and evaluation of nonpeptide substituted spirobenzazepines as potent vasopressin antagonists. Abstract: A series of substituted spirobenzazepines was prepared and evaluated as V(1a) and V(2) dual vasopressin receptor antagonists. Compounds 7p and 7q have been shown to be not only potent inhibitors of vasopressin receptors, but also have exhibited an excellent overall pharmaceutical suitability profile. aid8178.table aid8178.tbin
8179 1 Title: Synthesis of L-(+)-3-(3-hydroxy-4-pivaloyloxybenzyl)-2,5-diketomorpholine as potential prodrug of L-dopa. Abstract: The synthesis and in vitro chemical and enzymatic stability of L-(+)-3-(3-hydroxy-4-pivaloyloxybenzyl)-2,5-diketomorpholine (9) as L-Dopa prodrug are described. Prodrug 9 possesses a good lipophilicity (log P = 2.153 +/- 0.017), is stable in aqueous buffer solutions (pH 1.3 and 7.4), and in 80% rat and human plasma it is turned into L-Dopa. aid8179.table aid8179.tbin
8180 1 Title: Synthesis of L-(+)-3-(3-hydroxy-4-pivaloyloxybenzyl)-2,5-diketomorpholine as potential prodrug of L-dopa. Abstract: The synthesis and in vitro chemical and enzymatic stability of L-(+)-3-(3-hydroxy-4-pivaloyloxybenzyl)-2,5-diketomorpholine (9) as L-Dopa prodrug are described. Prodrug 9 possesses a good lipophilicity (log P = 2.153 +/- 0.017), is stable in aqueous buffer solutions (pH 1.3 and 7.4), and in 80% rat and human plasma it is turned into L-Dopa. aid8180.table aid8180.tbin
8181 1 Title: Synthesis of L-(+)-3-(3-hydroxy-4-pivaloyloxybenzyl)-2,5-diketomorpholine as potential prodrug of L-dopa. Abstract: The synthesis and in vitro chemical and enzymatic stability of L-(+)-3-(3-hydroxy-4-pivaloyloxybenzyl)-2,5-diketomorpholine (9) as L-Dopa prodrug are described. Prodrug 9 possesses a good lipophilicity (log P = 2.153 +/- 0.017), is stable in aqueous buffer solutions (pH 1.3 and 7.4), and in 80% rat and human plasma it is turned into L-Dopa. aid8181.table aid8181.tbin
8182 3 Half-life in the CEM cell extracts aid8182.table aid8182.tbin
8183 2 Title: Cathepsin B-sensitive dipeptide prodrugs. 1. A model study of structural requirements for efficient release of doxorubicin. Abstract: A series of lysosomal protease-sensitive peptides attached to doxorubicin (DOX) was prepared as model substrates for internalizing anticancer immunoconjugates and potential antimetastasis prodrugs. Rates of cathepsin B-mediated release of free drug was measured for each, and human plasma stabilities for representative examples. aid8183.table aid8183.tbin
8184 8 Title: Cathepsin B-sensitive dipeptide prodrugs. 1. A model study of structural requirements for efficient release of doxorubicin. Abstract: A series of lysosomal protease-sensitive peptides attached to doxorubicin (DOX) was prepared as model substrates for internalizing anticancer immunoconjugates and potential antimetastasis prodrugs. Rates of cathepsin B-mediated release of free drug was measured for each, and human plasma stabilities for representative examples. aid8184.table aid8184.tbin
8185 2 Title: Non-imidazole heterocyclic histamine H3 receptor antagonists. Abstract: Continued exploration of the SAR around the lead imidazopyridine histamine H(3) antagonist 1 has led to the discovery of several related series of heterocyclic histamine H(3) antagonists. The synthesis and SAR of indolizine, indole and pyrazolopyridine based compounds are now described. aid8185.table aid8185.tbin
8186 13 Half-life (human blood stability) aid8186.table aid8186.tbin
8187 1 Half-life (human blood stability); no data aid8187.table aid8187.tbin
8188 6 Title: Poly(ethylene glycol) transport forms of vancomycin: a long-lived continuous release delivery system. Abstract: The facile reaction of vancomycin with various PEG linkers, at the V(3) position, has been selectively accomplished by using an excess of base in DMF. Using rPEG as a blocking group for V(3) provides crystalline derivatives that can be further PEGylated to give pure V(3)-X(1) latentiated species (transport forms). V(3) tetrameric species were also prepared in order to increase t... aid8188.table aid8188.tbin
8189 22 Title: The design and preparation of metabolically protected new arylpiperazine 5-HT1A ligands. Abstract: New arylpiperazines related to buspirone, gepirone and NAN-190 were designed and screened in silico for their 5-HT(1A) affinity and potential sites of metabolism by human cytochrome p450 (CYP3A4). Modifications to these structures were assessed in silico for their influence on both 5HT(1A) affinity and metabolism. Selected new molecules were synthesized and purified in a parallel chemistry a... aid8189.table aid8189.tbin
8190 1 Half-life was determined; 88% of parent remained after incubation for 120 min (human blood stability) aid8190.table aid8190.tbin
8191 1 In vitro half life in human plasma aid8191.table aid8191.tbin
8192 2 In vitro half life at 1.5 -5.6ug/mL, 37 degree C in human plasma aid8192.table aid8192.tbin
8193 6 Title: Synthesis of stavudine amino acid ester prodrugs with broad-spectrum chemotherapeutic properties for the effective treatment of HIV/AIDS. Abstract: A series of prodrugs of stavudine were synthesized in an effort to enhance spectrum of chemotherapeutic properties for the effective treatment of HIV/AIDS. The 5'-OH function of stavudine was esterified with ciprofloxacin, norfloxacin, isoniazide, pyrazinamide, piperazine and dimethylamine acetic acid. The anti-HIV-1 activity of the esters was... aid8193.table aid8193.tbin
8194 1 Title: Synthesis of stavudine amino acid ester prodrugs with broad-spectrum chemotherapeutic properties for the effective treatment of HIV/AIDS. Abstract: A series of prodrugs of stavudine were synthesized in an effort to enhance spectrum of chemotherapeutic properties for the effective treatment of HIV/AIDS. The 5'-OH function of stavudine was esterified with ciprofloxacin, norfloxacin, isoniazide, pyrazinamide, piperazine and dimethylamine acetic acid. The anti-HIV-1 activity of the esters was... aid8194.table aid8194.tbin
8195 9 Title: Benzoxazinones as PPARgamma agonists. 2. SAR of the amide substituent and in vivo results in a type 2 diabetes model. Abstract: A series of benzoxazinones has been synthesized and tested for PPARgamma agonist activity. Synthetic approaches were developed to provide either racemic or chiral compounds. In vitro functional potency could be measured through induction of the aP2 gene, a target of PPARgamma. These studies revealed that compounds with large aliphatic chains at the nitrogen of th... aid8195.table aid8195.tbin
8196 2 Plasma half life in human aid8196.table aid8196.tbin
8197 1 Title: Selective plasma hydrolysis of glucocorticoid gamma-lactones and cyclic carbonates by the enzyme paraoxonase: an ideal plasma inactivation mechanism. aid8197.table aid8197.tbin
8198 2 T1/2 was evaluated in human plasma aid8198.table aid8198.tbin
8199 4 Tested for Biological half life in human plasma (stability to human renal dehydropeptidase I,DHP-I). aid8199.table aid8199.tbin
8200 1 Tested for Biological half life in human plasma (stability to human renal dehydropeptidase I,DHP-I); Not determined aid8200.table aid8200.tbin
8201 2 Title: Synthesis, hydrolytic activation and cytotoxicity of etoposide prodrugs. Abstract: Two 4'-propylcarbonoxy derivatives (2,3) of etoposide (1), a topoisomerase II inhibitor, were synthesized and evaluated as potential prodrugs for anticancer therapy. Their activation via hydrolysis mechanisms was determined as a function of pH in buffer solutions, in human serum and in the presence of carboxyl ester hydrolase. Cytotoxicity was determined on various tumor cell lines and compared to the paren... aid8201.table aid8201.tbin
8202 4 Tested in vitro for the time for half reactivation against human lysosomal alpha-glucosidase aid8202.table aid8202.tbin
8203 1 Tested in vitro for the time for half reactivation against human lysosomal alpha-glucosidase; ND=Not determined aid8203.table aid8203.tbin
8204 1 Title: Cathepsin B-sensitive dipeptide prodrugs. 2. Models of anticancer drugs paclitaxel (Taxol), mitomycin C and doxorubicin. Abstract: Substrates containing doxorubicin (DOX), paclitaxel (taxol), and mitomycin C (MMC) attached to the cathepsin B-sensitive dipeptide Phe-Lys via a self-immolative spacer were prepared as model compounds for internalizing anticancer immunoconjugates. Cathepsin B-mediated release rates of free drug, rat liver lysosomal susceptibility and human plasma stability wer... aid8204.table aid8204.tbin
8205 3 Title: Cathepsin B-sensitive dipeptide prodrugs. 2. Models of anticancer drugs paclitaxel (Taxol), mitomycin C and doxorubicin. Abstract: Substrates containing doxorubicin (DOX), paclitaxel (taxol), and mitomycin C (MMC) attached to the cathepsin B-sensitive dipeptide Phe-Lys via a self-immolative spacer were prepared as model compounds for internalizing anticancer immunoconjugates. Cathepsin B-mediated release rates of free drug, rat liver lysosomal susceptibility and human plasma stability wer... aid8205.table aid8205.tbin
8206 5 Title: Structure-activity relationship on human serum paraoxonase (PON1) using substrate analogues and inhibitors. Abstract: Substrate analogues based on the parent compounds paraoxon and phenyl acetate were tested on human serum paraoxonase (PON1) to explore the active site of the enzyme. Replacement of the nitro group of paraoxon with an amine or hydrogen, as well as electronic changes to the parent compound, converted these analogues into inhibitors. Introduction of either electron-withdrawin... aid8206.table aid8206.tbin
8207 4 Title: Structure-activity relationship on human serum paraoxonase (PON1) using substrate analogues and inhibitors. Abstract: Substrate analogues based on the parent compounds paraoxon and phenyl acetate were tested on human serum paraoxonase (PON1) to explore the active site of the enzyme. Replacement of the nitro group of paraoxon with an amine or hydrogen, as well as electronic changes to the parent compound, converted these analogues into inhibitors. Introduction of either electron-withdrawin... aid8207.table aid8207.tbin
8208 1 Title: Metabolic stabilization of benzylidene ketal M(2) muscarinic receptor antagonists via halonaphthoic acid substitution. Abstract: The potential toxicological liabilities of the M(2) muscarinic antagonist 1 were addressed by replacing the methylenedioxyphenyl moiety with a p-methoxyphenyl group, resulting in M(2) selective compounds such as 3. Several halogenated naphthamide derivatives of 3 were studied in order to improve the pharmacokinetic profile via blockage of oxidative metabolism. C... aid8208.table aid8208.tbin
8209 1 Compound was evaluated for the biodistribution of tumor-imaging agent in B16 melanoma bearing mice blood upon intraveneous administration at 2.6 gmol/mice after 1 hour aid8209.table aid8209.tbin
8210 1 Compound was evaluated for the biodistribution of tumor-imaging agent in B16 melanoma bearing mice blood upon intraveneous administration at 2.6 gmol/mice after 3 hour aid8210.table aid8210.tbin
8211 1 Compound was evaluated for the biodistribution of tumor-imaging agent in B16 melanoma bearing mice brain upon intraveneous administration at 2.6 gmol/mice after 1 hour aid8211.table aid8211.tbin
8212 1 Compound was evaluated for the biodistribution of tumor-imaging agent in B16 melanoma bearing mice brain upon intraveneous administration at 2.6 gmol/mice after 3 hour aid8212.table aid8212.tbin
8213 1 Compound was evaluated for the biodistribution of tumor-imaging agent in B16 melanoma bearing mice kidney upon intraveneous administration at 2.6 gmol/mice after 1 hour aid8213.table aid8213.tbin
8214 1 Compound was evaluated for the biodistribution of tumor-imaging agent in B16 melanoma bearing mice kidney upon intraveneous administration at 2.6 gmol/mice after 24 hour aid8214.table aid8214.tbin
8215 1 Title: Antitumour benzothiazoles. Part 20: 3'-cyano and 3'-alkynyl-substituted 2-(4'-aminophenyl)benzothiazoles as new potent and selective analogues. Abstract: The synthesis of a new series of antitumour 2-(4-aminophenyl)benzothiazole analogues, substituted in the 3'-position by cyano or alkynyl groups, is described. Several of the analogues, notably the 5-fluorinated compounds 7c and 9c, were found to possess potent in vitro activity against MCF-7 and MDA 468 human cancer cell lines. More comp... aid8215.table aid8215.tbin
8216 1 Title: Linker length modulates DNA cross-linking reactivity and cytotoxic potency of C8/C8' ether-linked C2-exo-unsaturated pyrrolo[2,1-c][1,4]benzodiazepine (PBD) dimers. Abstract: A C2/C2'-exo-unsaturated pyrrolo[2,1-c][1,4]benzodiazepine (PBD) dimer 4b (DRG-16) with a C8-O(CH2)nO-C8' diether linkage (n = 5) has been synthesized that shows markedly superior in vitro cytotoxic potency (e.g., &gt;3400-fold in IGROV1 ovarian cells) and interstrand DNA cross-linking reactivity (&gt;10-fold) compar... aid8216.table aid8216.tbin
8217 28 Title: Antitumor agents. 174. 2',3',4',5,6,7-Substituted 2-phenyl-1,8-naphthyridin-4-ones: their synthesis, cytotoxicity, and inhibition of tubulin polymerization. Abstract: Two series of 2',3',4',5,6,7-substituted 2-phenyl-1,8-naphthyridin-4-ones and 2-phenylpyrido[1,2-alpha]pyrimidin-4-ones have been synthesized and evaluated as cytotoxic compounds and as inhibitors of tubulin polymerization. Most 2-phenyl-1,8-naphthyridin-4-ones showed potent cytotoxic and antitubulin activities, whereas 2-ph... aid8217.table aid8217.tbin
8218 6 Title: 2,6-Di(omega-aminoalkyl)-2,5,6,7-tetrahydropyrazolo[3,4,5-mn]pyrimido[5,6,1-de]acridine-5,7-diones: novel, potent, cytotoxic, and DNA-binding agents. Abstract: DNA-binding agents with potential antitumor activities bearing two cationic side chains, the 2,6-di(omega-aminoalkyl)-2,5,6,7-tetrahydropyrazolo[3,4,5-mn]pyrimido[5,6,1-de]acridine-5,7-diones (4a-r), have been prepared either by reaction of the appropriate 2-(omega-aminoalkyl)-6-chloro-2,3-dihydro-1H,7H-pyrimido[5,6,1-de]acridine-1... aid8218.table aid8218.tbin
8219 6 Title: 2,6-Di(omega-aminoalkyl)-2,5,6,7-tetrahydropyrazolo[3,4,5-mn]pyrimido[5,6,1-de]acridine-5,7-diones: novel, potent, cytotoxic, and DNA-binding agents. Abstract: DNA-binding agents with potential antitumor activities bearing two cationic side chains, the 2,6-di(omega-aminoalkyl)-2,5,6,7-tetrahydropyrazolo[3,4,5-mn]pyrimido[5,6,1-de]acridine-5,7-diones (4a-r), have been prepared either by reaction of the appropriate 2-(omega-aminoalkyl)-6-chloro-2,3-dihydro-1H,7H-pyrimido[5,6,1-de]acridine-1... aid8219.table aid8219.tbin
8220 6 Title: 2,6-Di(omega-aminoalkyl)-2,5,6,7-tetrahydropyrazolo[3,4,5-mn]pyrimido[5,6,1-de]acridine-5,7-diones: novel, potent, cytotoxic, and DNA-binding agents. Abstract: DNA-binding agents with potential antitumor activities bearing two cationic side chains, the 2,6-di(omega-aminoalkyl)-2,5,6,7-tetrahydropyrazolo[3,4,5-mn]pyrimido[5,6,1-de]acridine-5,7-diones (4a-r), have been prepared either by reaction of the appropriate 2-(omega-aminoalkyl)-6-chloro-2,3-dihydro-1H,7H-pyrimido[5,6,1-de]acridine-1... aid8220.table aid8220.tbin
8221 1 Title: Synthesis and evaluation of a series of benzylaniline hydrochlorides as potential cytotoxic and antimitotic agents acting by inhibition of tubulin polymerization. Abstract: Although certain substituted cis-stilbenes have displayed potent tubulin polymerization inhibitory activity and significant cytotoxicities in cancer cell cultures, these compounds have limited aqueous solubility and are therefore difficult to formulate for in vivo evaluation. A series of water-soluble N-(3,4,5-trimetho... aid8221.table aid8221.tbin
8222 2 Title: Design and synthesis of ellipticinium salts and 1,2-dihydroellipticines with high selectivities against human CNS cancers in vitro. Abstract: 9-Methoxy-2-methylellipticinium acetate (6), along with the 9-methyl and 9-chloro derivatives (7, and 8, respectively) have shown remarkable selectivities in vitro against the NCI human CNS cancer subpanel. In order to target these types of compounds to the CNS in vivo, a series of 1,2-dihydroellipticines was synthesized. 9-Methoxy-2-methyl-1,2-dihy... aid8222.table aid8222.tbin
8223 1 Title: Synthesis, antitubulin and antimitotic activity, and cytotoxicity of analogs of 2-methoxyestradiol, an endogenous mammalian metabolite of estradiol that inhibits tubulin polymerization by binding to the colchicine binding site. Abstract: In order to define the structural parameters associated with the antitubulin activity and cytotoxicity of 2-methoxyestradiol, a mammalian metabolite of estradiol, an array of analogs was synthesized and evaluated. The potencies of the new congeners as inh... aid8223.table aid8223.tbin
8224 1 Title: Antitumor benzothiazoles. 7. Synthesis of 2-(4-acylaminophenyl)benzothiazoles and investigations into the role of acetylation in the antitumor activities of the parent amines. Abstract: 2-(4-Aminophenyl)benzothiazoles display potent and selective antitumor activity against inter alia breast, ovarian, colon, and renal cell lines, but their mechanism of action, though yet to be defined, may be novel. Metabolism is suspected to play a central role in the mode of action of these benzothiazole... aid8224.table aid8224.tbin
8225 3 Title: Synthesis and potent antifolate activity and cytotoxicity of B-ring deaza analogues of the nonpolyglutamatable dihydrofolate reductase inhibitor Nalpha-(4-amino-4-deoxypteroyl)-Ndelta-hemiphthaloyl- L-ornithine (PT523). Abstract: Six new B-ring analogues of the nonpolyglutamatable antifolate Nalpha-(4-amino-4-deoxypteroyl)-Ndelta-hemiphthaloy l-L-ornithine (PT523, 3) were synthesized with a view to determining the effect of modifications at the 5- and/or 8-position on dihydrofolate reduct... aid8225.table aid8225.tbin
8226 1 Title: Synthesis and preliminary biological evaluations of CC-1065 analogues: effects of different linkers and terminal amides on biological activity. Abstract: CC-1065 analogues possessing a biologically active CBI functional group and amide-substituted indole and benzofuran were synthesized. The IC(50) values of compounds 26, bearing two indoles, and 25, bearing only one indole, are 0.4 and 3 nM, respectively, against U937 leukemia cells in vitro. The IC(50) values of compounds 28, bearing a b... aid8226.table aid8226.tbin
8227 1 Title: 4-Substituted 4-hydroxycyclohexa-2,5-dien-1-ones with selective activities against colon and renal cancer cell lines. Abstract: The synthesis and antitumor evaluation of a series of new heteroaromatic- and aromatic-substituted hydroxycyclohexadienones (&quot;quinols&quot;), and their imine counterparts, are described. The quinols were synthesized via the addition of a lithiated aromatic moiety to a quinone ketal followed by deprotection. When the aromatic portion of the molecule is a fuse... aid8227.table aid8227.tbin
8228 7 Title: d-Fused [1]benzazepines with selective in vitro antitumor activity: synthesis and structure-activity relationships. Abstract: The synthesis of novel quinolino[3,2-d][1]benzazepines and pyrido[3,2-d][1]benzazepines is described. The in vitro antitumor activity of the compounds has been tested in the antitumor screening of the National Cancer Institute (NCI). Several 2,4-diarylpyrido[3, 2-d][1]benzazepin-6-ones and -thiones turned out to exhibit considerable cytotoxicity for tumor cells. Fo... aid8228.table aid8228.tbin
8229 7 Title: d-Fused [1]benzazepines with selective in vitro antitumor activity: synthesis and structure-activity relationships. Abstract: The synthesis of novel quinolino[3,2-d][1]benzazepines and pyrido[3,2-d][1]benzazepines is described. The in vitro antitumor activity of the compounds has been tested in the antitumor screening of the National Cancer Institute (NCI). Several 2,4-diarylpyrido[3, 2-d][1]benzazepin-6-ones and -thiones turned out to exhibit considerable cytotoxicity for tumor cells. Fo... aid8229.table aid8229.tbin
8230 2 Title: Antitumor benzothiazoles. 8. Synthesis, metabolic formation, and biological properties of the C- and N-oxidation products of antitumor 2-(4-aminophenyl)benzothiazoles. Abstract: 2-(4-Aminophenyl)benzothiazoles 1 and their N-acetylated forms have been converted to C- and N-hydroxylated derivatives to investigate the role of metabolic oxidation in the mode of action of this series of compounds. 2-(4-Amino-3-methylphenyl)benzothiazole (1a, DF 203, NSC 674495) is a novel and potent antitumor ... aid8230.table aid8230.tbin
8231 1 Title: Antitumor agents. 148. Synthesis and biological evaluation of novel 4 beta-amino derivatives of etoposide with better pharmacological profiles. Abstract: A series of novel 4 beta-amino derivatives of etoposide (1), which can form water-soluble salts and demonstrate excellent activity against mdr- and topo II-resistant cell lines, have been synthesized. Compared with etoposide, compounds 5-6, 8, and 10-16 show comparable or greater inhibition of human DNA topo II. In a cellular protein-DNA... aid8231.table aid8231.tbin
8232 2 The compound was tested in vitro for cytotoxic activity against 786-O cell line (human perirenal carcinoma) aid8232.table aid8232.tbin
8233 6 Title: Synthesis of 2'-deoxyuridine and 5-fluoro-2'-deoxyuridine derivatives and evaluation in antibody targeting studies. Abstract: Derivatives of 2'-deoxyuridine and of the anticancer agent 5-fluoro-2'-deoxyuridine (FdUR) were linked indirectly via a human serum albumin carrier (HSA) to the murine antiosteosarcoma monoclonal antibody 791T/36. Starting from the 2'-deoxyuridines 1a and 1b, the new nucleosides containing 5'-succinamic acid 7 and 5'-maleamic acid 8 spacers were synthesized from th... aid8233.table aid8233.tbin
8234 1 Title: Synthesis of 2'-deoxyuridine and 5-fluoro-2'-deoxyuridine derivatives and evaluation in antibody targeting studies. Abstract: Derivatives of 2'-deoxyuridine and of the anticancer agent 5-fluoro-2'-deoxyuridine (FdUR) were linked indirectly via a human serum albumin carrier (HSA) to the murine antiosteosarcoma monoclonal antibody 791T/36. Starting from the 2'-deoxyuridines 1a and 1b, the new nucleosides containing 5'-succinamic acid 7 and 5'-maleamic acid 8 spacers were synthesized from th... aid8234.table aid8234.tbin
8235 2 Title: Synthesis of 2'-deoxyuridine and 5-fluoro-2'-deoxyuridine derivatives and evaluation in antibody targeting studies. Abstract: Derivatives of 2'-deoxyuridine and of the anticancer agent 5-fluoro-2'-deoxyuridine (FdUR) were linked indirectly via a human serum albumin carrier (HSA) to the murine antiosteosarcoma monoclonal antibody 791T/36. Starting from the 2'-deoxyuridines 1a and 1b, the new nucleosides containing 5'-succinamic acid 7 and 5'-maleamic acid 8 spacers were synthesized from th... aid8235.table aid8235.tbin
8236 1 Title: Synthesis of 2'-deoxyuridine and 5-fluoro-2'-deoxyuridine derivatives and evaluation in antibody targeting studies. Abstract: Derivatives of 2'-deoxyuridine and of the anticancer agent 5-fluoro-2'-deoxyuridine (FdUR) were linked indirectly via a human serum albumin carrier (HSA) to the murine antiosteosarcoma monoclonal antibody 791T/36. Starting from the 2'-deoxyuridines 1a and 1b, the new nucleosides containing 5'-succinamic acid 7 and 5'-maleamic acid 8 spacers were synthesized from th... aid8236.table aid8236.tbin
8237 1 Title: Synthesis of 2'-deoxyuridine and 5-fluoro-2'-deoxyuridine derivatives and evaluation in antibody targeting studies. Abstract: Derivatives of 2'-deoxyuridine and of the anticancer agent 5-fluoro-2'-deoxyuridine (FdUR) were linked indirectly via a human serum albumin carrier (HSA) to the murine antiosteosarcoma monoclonal antibody 791T/36. Starting from the 2'-deoxyuridines 1a and 1b, the new nucleosides containing 5'-succinamic acid 7 and 5'-maleamic acid 8 spacers were synthesized from th... aid8237.table aid8237.tbin
8238 1 Title: Synthesis of 2'-deoxyuridine and 5-fluoro-2'-deoxyuridine derivatives and evaluation in antibody targeting studies. Abstract: Derivatives of 2'-deoxyuridine and of the anticancer agent 5-fluoro-2'-deoxyuridine (FdUR) were linked indirectly via a human serum albumin carrier (HSA) to the murine antiosteosarcoma monoclonal antibody 791T/36. Starting from the 2'-deoxyuridines 1a and 1b, the new nucleosides containing 5'-succinamic acid 7 and 5'-maleamic acid 8 spacers were synthesized from th... aid8238.table aid8238.tbin
8239 1 Title: Synthesis of 2'-deoxyuridine and 5-fluoro-2'-deoxyuridine derivatives and evaluation in antibody targeting studies. Abstract: Derivatives of 2'-deoxyuridine and of the anticancer agent 5-fluoro-2'-deoxyuridine (FdUR) were linked indirectly via a human serum albumin carrier (HSA) to the murine antiosteosarcoma monoclonal antibody 791T/36. Starting from the 2'-deoxyuridines 1a and 1b, the new nucleosides containing 5'-succinamic acid 7 and 5'-maleamic acid 8 spacers were synthesized from th... aid8239.table aid8239.tbin
8240 1 Title: Synthesis of 2'-deoxyuridine and 5-fluoro-2'-deoxyuridine derivatives and evaluation in antibody targeting studies. Abstract: Derivatives of 2'-deoxyuridine and of the anticancer agent 5-fluoro-2'-deoxyuridine (FdUR) were linked indirectly via a human serum albumin carrier (HSA) to the murine antiosteosarcoma monoclonal antibody 791T/36. Starting from the 2'-deoxyuridines 1a and 1b, the new nucleosides containing 5'-succinamic acid 7 and 5'-maleamic acid 8 spacers were synthesized from th... aid8240.table aid8240.tbin
8241 1 Title: Synthesis of 2'-deoxyuridine and 5-fluoro-2'-deoxyuridine derivatives and evaluation in antibody targeting studies. Abstract: Derivatives of 2'-deoxyuridine and of the anticancer agent 5-fluoro-2'-deoxyuridine (FdUR) were linked indirectly via a human serum albumin carrier (HSA) to the murine antiosteosarcoma monoclonal antibody 791T/36. Starting from the 2'-deoxyuridines 1a and 1b, the new nucleosides containing 5'-succinamic acid 7 and 5'-maleamic acid 8 spacers were synthesized from th... aid8241.table aid8241.tbin
8242 1 Title: Synthesis of 2'-deoxyuridine and 5-fluoro-2'-deoxyuridine derivatives and evaluation in antibody targeting studies. Abstract: Derivatives of 2'-deoxyuridine and of the anticancer agent 5-fluoro-2'-deoxyuridine (FdUR) were linked indirectly via a human serum albumin carrier (HSA) to the murine antiosteosarcoma monoclonal antibody 791T/36. Starting from the 2'-deoxyuridines 1a and 1b, the new nucleosides containing 5'-succinamic acid 7 and 5'-maleamic acid 8 spacers were synthesized from th... aid8242.table aid8242.tbin
8243 2 Title: Classical and nonclassical furo[2,3-d]pyrimidines as novel antifolates: synthesis and biological activities. Abstract: Classical antifolate analogues containing a novel furo[2,3-d]pyrimidine ring system which include N-[4-[N-[(2,4-diaminofuro[2,3-d]pyrimidin-5- yl)methyl]amino]benzoyl]-L-glutamic acid (1) and its N-9 methyl analogue 2 were synthesized as potential dual inhibitors of thymidylate synthase (TS) and dihydrofolate reductase (DHFR) and as antitumor agents. Four nonclassical ant... aid8243.table aid8243.tbin
8244 3 In vitro anticancer activity against 8 NCI CNS cancer cell lines; inactive aid8244.table aid8244.tbin
8245 21 Title: Novel antitumor 2-cyanoaziridine-1-carboxamides. Abstract: A set of 20 2-cyanoaziridine-1-carboxamides was synthesized from 2-cyanoaziridine and appropriate isocyanates. These compounds were active against a variety of solid and hematological tumor cells in culture, including strains resistant to doxorubicin and mitoxantrone. Their potencies in these assays correlated with the lipophilicity of substituents. The N-phenyl derivative was more potent and equally effective to imexon, a cyclize... aid8245.table aid8245.tbin
8246 21 Title: Novel antitumor 2-cyanoaziridine-1-carboxamides. Abstract: A set of 20 2-cyanoaziridine-1-carboxamides was synthesized from 2-cyanoaziridine and appropriate isocyanates. These compounds were active against a variety of solid and hematological tumor cells in culture, including strains resistant to doxorubicin and mitoxantrone. Their potencies in these assays correlated with the lipophilicity of substituents. The N-phenyl derivative was more potent and equally effective to imexon, a cyclize... aid8246.table aid8246.tbin
8247 6 Title: Novel non-cross resistant diaminoanthraquinones as potential chemotherapeutic agents. Abstract: A novel series of diaminoanthraquinones was discovered initially as protein kinase C inhibitors with IC50s in the 50-100 microM range. They exhibited potent tumor cell growth inhibitory activity in vitro without cross resistance to adriamycin. Further evaluation of two of the most active compounds NSC 639365 (3) and NSC 639366 (4) in human tumor cloning assay showed potent cytocidal activity. T... aid8247.table aid8247.tbin
8248 3 Title: New antitumor agents containing the anthracene nucleus. Abstract: A series of 21 new compounds related to bisantrene was synthesized and tested in vitro by using clonogenic assays against a variety of human tumor cell lines, fresh human tumors, and P-388 leukemia. Those most closely related to bisantrene were less active than it was, but a subset of compounds with saturated side chains containing two basic nitrogens showed good activity. Two compounds of this subset, N,N'-bis[2-(dimethyla... aid8248.table aid8248.tbin
8249 1 Title: New antitumor agents containing the anthracene nucleus. Abstract: A series of 21 new compounds related to bisantrene was synthesized and tested in vitro by using clonogenic assays against a variety of human tumor cell lines, fresh human tumors, and P-388 leukemia. Those most closely related to bisantrene were less active than it was, but a subset of compounds with saturated side chains containing two basic nitrogens showed good activity. Two compounds of this subset, N,N'-bis[2-(dimethyla... aid8249.table aid8249.tbin
8250 1 Title: New antitumor agents containing the anthracene nucleus. Abstract: A series of 21 new compounds related to bisantrene was synthesized and tested in vitro by using clonogenic assays against a variety of human tumor cell lines, fresh human tumors, and P-388 leukemia. Those most closely related to bisantrene were less active than it was, but a subset of compounds with saturated side chains containing two basic nitrogens showed good activity. Two compounds of this subset, N,N'-bis[2-(dimethyla... aid8250.table aid8250.tbin
8251 1 Title: New antitumor agents containing the anthracene nucleus. Abstract: A series of 21 new compounds related to bisantrene was synthesized and tested in vitro by using clonogenic assays against a variety of human tumor cell lines, fresh human tumors, and P-388 leukemia. Those most closely related to bisantrene were less active than it was, but a subset of compounds with saturated side chains containing two basic nitrogens showed good activity. Two compounds of this subset, N,N'-bis[2-(dimethyla... aid8251.table aid8251.tbin
8252 1 Title: New antitumor agents containing the anthracene nucleus. Abstract: A series of 21 new compounds related to bisantrene was synthesized and tested in vitro by using clonogenic assays against a variety of human tumor cell lines, fresh human tumors, and P-388 leukemia. Those most closely related to bisantrene were less active than it was, but a subset of compounds with saturated side chains containing two basic nitrogens showed good activity. Two compounds of this subset, N,N'-bis[2-(dimethyla... aid8252.table aid8252.tbin
8253 2 Title: New antitumor agents containing the anthracene nucleus. Abstract: A series of 21 new compounds related to bisantrene was synthesized and tested in vitro by using clonogenic assays against a variety of human tumor cell lines, fresh human tumors, and P-388 leukemia. Those most closely related to bisantrene were less active than it was, but a subset of compounds with saturated side chains containing two basic nitrogens showed good activity. Two compounds of this subset, N,N'-bis[2-(dimethyla... aid8253.table aid8253.tbin
8254 1 Title: New antitumor agents containing the anthracene nucleus. Abstract: A series of 21 new compounds related to bisantrene was synthesized and tested in vitro by using clonogenic assays against a variety of human tumor cell lines, fresh human tumors, and P-388 leukemia. Those most closely related to bisantrene were less active than it was, but a subset of compounds with saturated side chains containing two basic nitrogens showed good activity. Two compounds of this subset, N,N'-bis[2-(dimethyla... aid8254.table aid8254.tbin
8255 1 Title: New antitumor agents containing the anthracene nucleus. Abstract: A series of 21 new compounds related to bisantrene was synthesized and tested in vitro by using clonogenic assays against a variety of human tumor cell lines, fresh human tumors, and P-388 leukemia. Those most closely related to bisantrene were less active than it was, but a subset of compounds with saturated side chains containing two basic nitrogens showed good activity. Two compounds of this subset, N,N'-bis[2-(dimethyla... aid8255.table aid8255.tbin
8256 2 Title: New antitumor agents containing the anthracene nucleus. Abstract: A series of 21 new compounds related to bisantrene was synthesized and tested in vitro by using clonogenic assays against a variety of human tumor cell lines, fresh human tumors, and P-388 leukemia. Those most closely related to bisantrene were less active than it was, but a subset of compounds with saturated side chains containing two basic nitrogens showed good activity. Two compounds of this subset, N,N'-bis[2-(dimethyla... aid8256.table aid8256.tbin
8257 1 Title: Synthesis and potent antifolate activity and cytotoxicity of B-ring deaza analogues of the nonpolyglutamatable dihydrofolate reductase inhibitor Nalpha-(4-amino-4-deoxypteroyl)-Ndelta-hemiphthaloyl- L-ornithine (PT523). Abstract: Six new B-ring analogues of the nonpolyglutamatable antifolate Nalpha-(4-amino-4-deoxypteroyl)-Ndelta-hemiphthaloy l-L-ornithine (PT523, 3) were synthesized with a view to determining the effect of modifications at the 5- and/or 8-position on dihydrofolate reduct... aid8257.table aid8257.tbin
8258 3 Title: Synthesis and antiparasitic and antitumor activity of 2, 4-diamino-6-(arylmethyl)-5,6,7,8-tetrahydroquinazoline analogues of piritrexim. Abstract: Nineteen previously undescribed 2,4-diamino-6-(arylmethyl)-5,6,7, 8-tetrahydroquinazolines (5a-m, 10-12) were synthesized as part of a larger effort to assess the therapeutic potential of lipophilic dihydrofolate reductase (DHFR) inhibitors against opportunistic infections of AIDS. Condensation of appropriately substituted (arylmethyl)triphenyl... aid8258.table aid8258.tbin
8259 5 Title: New isomeric azine-bridged dinuclear platinum(II) complexes circumvent cross-resistance to cisplatin. Abstract: Four new isomeric azine-bridged complexes ([(cis-Pt(NH(3))(2)Cl)(2)(mu-pzn)]Cl(2) (1a) (pzn = pyrazine) and its corresponding nitrate salt (1b), [(cis-Pt(NH(3))(2)Cl)(2)(mu-pmn)]Cl(2) (2) (pmn = pyrimidine), and [(cis-Pt(NH(3))(2)Cl)(2)(mu-pdn)](NO(3))(2) (3) (pdn = pyridazine) have been newly synthesized as potential anticancer compounds. These complexes have been characterized... aid8259.table aid8259.tbin
8260 4 Title: Microwave-assisted [6+4]-cycloaddition of fulvenes and alpha-pyrones to azulene-indoles: facile syntheses of novel antineoplastic agents. Abstract: A microwave-enhanced [6+4]-cycloaddition reaction between 6-aminofulvene and pyrones followed by CO(2) extrusion provides azulene-indoles which display interesting antineoplastic activity. aid8260.table aid8260.tbin
8261 5 Title: Synthesis and biological evaluation of novel prodrugs of anthracyclines for selective activation by the tumor-associated protease plasmin. Abstract: New prodrugs of daunorubicin and doxorubicin designed for selective activation by the serine protease plasmin are described. The low toxic prodrugs 3, 4, and 5 are converted to the corresponding cytotoxic drugs upon proteolysis by the tumor-associated protease plasmin. Application of a self-eliminating spacer was essential for enzyme activati... aid8261.table aid8261.tbin
8262 8 Title: 3-D QSAR studies on new dibenzyltin(IV) anticancer agents by comparative molecular field analysis (CoMFA). Abstract: Dibenzyltin(IV)dichloride and dibenzyltin(IV)diisothiocyanate derivatives with N,S-donor ligands show significant cytotoxic activities against human cancer cell lines, and are well compared to analogous dialkyltin(IV) derivatives. CoMFA models were generated for the first time for these organotin derivatives using the cytotoxic activities (against two human tumor cell lines... aid8262.table aid8262.tbin
8263 4 Title: 3-D QSAR studies on new dibenzyltin(IV) anticancer agents by comparative molecular field analysis (CoMFA). Abstract: Dibenzyltin(IV)dichloride and dibenzyltin(IV)diisothiocyanate derivatives with N,S-donor ligands show significant cytotoxic activities against human cancer cell lines, and are well compared to analogous dialkyltin(IV) derivatives. CoMFA models were generated for the first time for these organotin derivatives using the cytotoxic activities (against two human tumor cell lines... aid8263.table aid8263.tbin
8264 4 Title: Novel 20-carbonate linked prodrugs of camptothecin and 9-aminocamptothecin designed for activation by tumour-associated plasmin. Abstract: The first prodrugs of camptothecin and 9-aminocamptothecin that are activated by the tumour-associated protease plasmin are reported. The tripartate prodrugs consist of a tripeptide sequence recognised by plasmin, which is linked to the 20-hydroxyl group of the camptothecins via a 1,6-elimination spacer. After selective N-protection of 9-aminocamptothe... aid8264.table aid8264.tbin
8265 1 Title: Design and synthesis of novel chrysene-linked pyrrolo[2,1-c][1,4]-benzodiazepine hybrids as potential DNA-binding agents. Abstract: Chrysene-linked pyrrolobenzodiazepine hybrids have been prepared that possess cytotoxicity in some cancer cell lines. They also exhibit promising DNA-binding affinity and this is supported by molecular modeling studies. aid8265.table aid8265.tbin
8266 1 Title: Synthesis and antitumour activity of pyrene-linked pyrrolo [2,1-c]benzodiazepine hybrids. Abstract: Pyrene-linked pyrrolobenzodiazepine hybrids have been synthesized that exhibit potential anticancer activity in a number of human tumour cell lines. These hybrids also exhibit much enhanced DNA-binding ability in comparison to the parent pyrrolobenzodiazepine ring system (DC-81). aid8266.table aid8266.tbin
8267 2 Title: New synthetic inhibitors of microtubule depolymerization. Abstract: A new class of borneol esters that might be considered as biological analogs of paclitaxel regarding their action on microtubules has been found. By structure-activity optimizations, compounds stabilizing microtubules much better than paclitaxel while showing a remarkably reduced cytotoxic activity were obtained. This dissoziation will open completely new therapeutic areas. aid8267.table aid8267.tbin
8268 1 Title: Antitumour benzothiazoles. Part 20: 3'-cyano and 3'-alkynyl-substituted 2-(4'-aminophenyl)benzothiazoles as new potent and selective analogues. Abstract: The synthesis of a new series of antitumour 2-(4-aminophenyl)benzothiazole analogues, substituted in the 3'-position by cyano or alkynyl groups, is described. Several of the analogues, notably the 5-fluorinated compounds 7c and 9c, were found to possess potent in vitro activity against MCF-7 and MDA 468 human cancer cell lines. More comp... aid8268.table aid8268.tbin
8269 1 Title: Linker length modulates DNA cross-linking reactivity and cytotoxic potency of C8/C8' ether-linked C2-exo-unsaturated pyrrolo[2,1-c][1,4]benzodiazepine (PBD) dimers. Abstract: A C2/C2'-exo-unsaturated pyrrolo[2,1-c][1,4]benzodiazepine (PBD) dimer 4b (DRG-16) with a C8-O(CH2)nO-C8' diether linkage (n = 5) has been synthesized that shows markedly superior in vitro cytotoxic potency (e.g., &gt;3400-fold in IGROV1 ovarian cells) and interstrand DNA cross-linking reactivity (&gt;10-fold) compar... aid8269.table aid8269.tbin
8270 2 Title: Antitumor benzothiazoles. 8. Synthesis, metabolic formation, and biological properties of the C- and N-oxidation products of antitumor 2-(4-aminophenyl)benzothiazoles. Abstract: 2-(4-Aminophenyl)benzothiazoles 1 and their N-acetylated forms have been converted to C- and N-hydroxylated derivatives to investigate the role of metabolic oxidation in the mode of action of this series of compounds. 2-(4-Amino-3-methylphenyl)benzothiazole (1a, DF 203, NSC 674495) is a novel and potent antitumor ... aid8270.table aid8270.tbin
8271 1 Title: Antitumor benzothiazoles. 7. Synthesis of 2-(4-acylaminophenyl)benzothiazoles and investigations into the role of acetylation in the antitumor activities of the parent amines. Abstract: 2-(4-Aminophenyl)benzothiazoles display potent and selective antitumor activity against inter alia breast, ovarian, colon, and renal cell lines, but their mechanism of action, though yet to be defined, may be novel. Metabolism is suspected to play a central role in the mode of action of these benzothiazole... aid8271.table aid8271.tbin
8272 1 Title: Synthesis and evaluation of a series of benzylaniline hydrochlorides as potential cytotoxic and antimitotic agents acting by inhibition of tubulin polymerization. Abstract: Although certain substituted cis-stilbenes have displayed potent tubulin polymerization inhibitory activity and significant cytotoxicities in cancer cell cultures, these compounds have limited aqueous solubility and are therefore difficult to formulate for in vivo evaluation. A series of water-soluble N-(3,4,5-trimetho... aid8272.table aid8272.tbin
8273 2 Title: Design and synthesis of ellipticinium salts and 1,2-dihydroellipticines with high selectivities against human CNS cancers in vitro. Abstract: 9-Methoxy-2-methylellipticinium acetate (6), along with the 9-methyl and 9-chloro derivatives (7, and 8, respectively) have shown remarkable selectivities in vitro against the NCI human CNS cancer subpanel. In order to target these types of compounds to the CNS in vivo, a series of 1,2-dihydroellipticines was synthesized. 9-Methoxy-2-methyl-1,2-dihy... aid8273.table aid8273.tbin
8274 1 Title: Synthesis, antitubulin and antimitotic activity, and cytotoxicity of analogs of 2-methoxyestradiol, an endogenous mammalian metabolite of estradiol that inhibits tubulin polymerization by binding to the colchicine binding site. Abstract: In order to define the structural parameters associated with the antitubulin activity and cytotoxicity of 2-methoxyestradiol, a mammalian metabolite of estradiol, an array of analogs was synthesized and evaluated. The potencies of the new congeners as inh... aid8274.table aid8274.tbin
8275 2 Title: Syntheses and kinetic evaluation of hydroxamate-based peptide inhibitors of glyoxalase I. Abstract: Hydroxamate-containing tripeptide analogs resembling a reactive intermediate in glyoxalase I catalysis were prepared by solution methods and were found to be competitive inhibitors of the enzyme from Saccharomyces cerevisiae. Electronic properties of the hydroxamate functionality as well as those of the expected intermediates in the enzyme-catalyzed reaction were compared. aid8275.table aid8275.tbin
8276 3 Title: Synthesis and potent antifolate activity and cytotoxicity of B-ring deaza analogues of the nonpolyglutamatable dihydrofolate reductase inhibitor Nalpha-(4-amino-4-deoxypteroyl)-Ndelta-hemiphthaloyl- L-ornithine (PT523). Abstract: Six new B-ring analogues of the nonpolyglutamatable antifolate Nalpha-(4-amino-4-deoxypteroyl)-Ndelta-hemiphthaloy l-L-ornithine (PT523, 3) were synthesized with a view to determining the effect of modifications at the 5- and/or 8-position on dihydrofolate reduct... aid8276.table aid8276.tbin
8277 1 Title: 4-Substituted 4-hydroxycyclohexa-2,5-dien-1-ones with selective activities against colon and renal cancer cell lines. Abstract: The synthesis and antitumor evaluation of a series of new heteroaromatic- and aromatic-substituted hydroxycyclohexadienones (&quot;quinols&quot;), and their imine counterparts, are described. The quinols were synthesized via the addition of a lithiated aromatic moiety to a quinone ketal followed by deprotection. When the aromatic portion of the molecule is a fuse... aid8277.table aid8277.tbin
8278 9 Title: Design, synthesis, and biological evaluation of indolequinone phosphoramidate prodrugs targeted to DT-diaphorase. Abstract: A series of 2- and 3-substituted indolequinone phosphoramidate prodrugs targeted to DT-diaphorase (DTD) have been synthesized and evaluated. These compounds are designed to undergo activation via quinone reduction by DTD followed by expulsion of the phosphoramide mustard substituent from the hydroquinone. Chemical reduction of the phosphoramidate prodrugs led to rapi... aid8278.table aid8278.tbin
8279 2 Title: Benzotrithiole 2-oxide: a new family of thiol-activated DNA-cleaving functionalities. Abstract: It was demonstrated in our studies that benzotrithiole 2-oxide was capable of causing efficient DNA cleavage in the presence of 2-mercaptoethanol or glutathione and exhibited potent cytotoxic properties against certain cancer cell lines. aid8279.table aid8279.tbin
8280 8 Title: 1,3-Dialkyl-3-acyltriazenes, a novel class of antineoplastic alkylating agents. Abstract: Aliphatic triazenes, such as 1,3-dimethyltriazene, are potent biological alkylating agents because they form alkyldiazonium ions. They are also subject to very rapid proteolytic decomposition, even at physiological pH. The acylated analogues 1,3-dialkyl-3-acyltrizenes are much more stable in aqueous solution, but they also give rise to alkyldiazonium ions. Four acylated 1,3-dimethyltriazenes, where t... aid8280.table aid8280.tbin
8281 19 Title: Syntheses and antiproliferative activities of new rebeccamycin derivatives with the sugar unit linked to both indole nitrogens. Abstract: The synthesis of new rebeccamycin derivatives, in which the carbohydrate moiety is attached to both indole nitrogens, is described. The newly synthesized compounds were tested for their abilities to block the cell cycle of murine leukemia L1210 cells and their in vitro antiproliferative activities against four tumor cell lines (murine L1210 leukemia and... aid8281.table aid8281.tbin
8282 5 Title: New 2-substituted indoloquinone mitomycin analogues. Abstract: Previously reported 2-(hydroxymethyl)indoloquinones, prepared as their acetates or carbamates, were less active than 2-methyl analogues in bacterial cultures and they had no activity in mice, despite functionality appropriate for DNA cross-linking. On the basis of the hypothesis that these compounds might have been too reactive chemically for selective alkylation of DNA, we prepared new analogues with substituents that could g... aid8282.table aid8282.tbin
8283 2 Title: New 2-substituted indoloquinone mitomycin analogues. Abstract: Previously reported 2-(hydroxymethyl)indoloquinones, prepared as their acetates or carbamates, were less active than 2-methyl analogues in bacterial cultures and they had no activity in mice, despite functionality appropriate for DNA cross-linking. On the basis of the hypothesis that these compounds might have been too reactive chemically for selective alkylation of DNA, we prepared new analogues with substituents that could g... aid8283.table aid8283.tbin
8284 2 Title: New 2-substituted indoloquinone mitomycin analogues. Abstract: Previously reported 2-(hydroxymethyl)indoloquinones, prepared as their acetates or carbamates, were less active than 2-methyl analogues in bacterial cultures and they had no activity in mice, despite functionality appropriate for DNA cross-linking. On the basis of the hypothesis that these compounds might have been too reactive chemically for selective alkylation of DNA, we prepared new analogues with substituents that could g... aid8284.table aid8284.tbin
8285 5 Title: Synthesis, chemical reactivity, and antitumor evaluation of congeners of carmethizole hydrochloride, an experimental &quot;acylated vinylogous carbinolamine&quot; tumor inhibitor. Abstract: A series of analogues of 4,5-bis(((N-methylcarbamoyl)oxy)methyl)-1-methyl-2-(methylthio)-im idazole (1, carmethizole) were synthesized. The chemical reactivities of the analogues (as electrophiles) were evaluated and related to the antitumor activity (in vivo and in vitro). Changes in the alkylthio moi... aid8285.table aid8285.tbin
8286 30 Title: 3-Aryl-2-quinolone derivatives: synthesis and characterization of in vitro and in vivo antitumor effects with emphasis on a new therapeutical target connected with cell migration. Abstract: Among 25 3-aryl-2-quinolone derivatives synthesized, the antitumor activity of some of them was characterized both in vitro and in vivo. In this series, no compound appeared to be cytotoxic in vitro, as was known by the colorimetric MTT assay carried out on 12 distinct human cancer cell lines obtained ... aid8286.table aid8286.tbin
8287 2 Title: 3-Aryl-2-quinolone derivatives: synthesis and characterization of in vitro and in vivo antitumor effects with emphasis on a new therapeutical target connected with cell migration. Abstract: Among 25 3-aryl-2-quinolone derivatives synthesized, the antitumor activity of some of them was characterized both in vitro and in vivo. In this series, no compound appeared to be cytotoxic in vitro, as was known by the colorimetric MTT assay carried out on 12 distinct human cancer cell lines obtained ... aid8287.table aid8287.tbin
8288 26 Title: Design, synthesis, and antiproliferative activity of some new pyrazole-fused amino derivatives of the pyranoxanthenone, pyranothioxanthenone, and pyranoacridone ring systems: a new class of cytotoxic agents. Abstract: A series of novel pyranoxanthenones, pyranothioxanthenones, and pyranoacridones have been designed and synthesized as analogues of the acridone alkaloid acronycine, and their DNA binding and in vitro cytotoxicities have been investigated. The title compounds were derived by ... aid8288.table aid8288.tbin
8289 2 Title: Design, synthesis, and antiproliferative activity of some new pyrazole-fused amino derivatives of the pyranoxanthenone, pyranothioxanthenone, and pyranoacridone ring systems: a new class of cytotoxic agents. Abstract: A series of novel pyranoxanthenones, pyranothioxanthenones, and pyranoacridones have been designed and synthesized as analogues of the acridone alkaloid acronycine, and their DNA binding and in vitro cytotoxicities have been investigated. The title compounds were derived by ... aid8289.table aid8289.tbin
8290 1 Title: Design, synthesis, and antiproliferative activity of some new pyrazole-fused amino derivatives of the pyranoxanthenone, pyranothioxanthenone, and pyranoacridone ring systems: a new class of cytotoxic agents. Abstract: A series of novel pyranoxanthenones, pyranothioxanthenones, and pyranoacridones have been designed and synthesized as analogues of the acridone alkaloid acronycine, and their DNA binding and in vitro cytotoxicities have been investigated. The title compounds were derived by ... aid8290.table aid8290.tbin
8291 1 Title: Design, synthesis, and antiproliferative activity of some new pyrazole-fused amino derivatives of the pyranoxanthenone, pyranothioxanthenone, and pyranoacridone ring systems: a new class of cytotoxic agents. Abstract: A series of novel pyranoxanthenones, pyranothioxanthenones, and pyranoacridones have been designed and synthesized as analogues of the acridone alkaloid acronycine, and their DNA binding and in vitro cytotoxicities have been investigated. The title compounds were derived by ... aid8291.table aid8291.tbin
8292 17 Title: Synthesis and in vitro antitumor activity of novel ring D analogues of the marine pyridoacridine ascididemin: structure-activity relationship. Abstract: Marine compounds with pyridoacridine skeletons are known to exhibit interesting antitumor activities. Ascididemin has already been reported as displaying significant antitumor activities in vitro and has also been found to have a relatively high global toxicity in vivo. We synthesized a series of 16 analogues (among which 11 compounds wer... aid8292.table aid8292.tbin
8293 5 Title: Synthesis and evaluation of pteroic acid-conjugated nitroheterocyclic phosphoramidates as folate receptor-targeted alkylating agents. Abstract: A novel nitroheterocyclic bis(haloethyl)phosphoramidate prodrug linked through lysine to a pteroic acid has been prepared and evaluated as a potential alkylating agent to target tumor cells that overexpress the folate receptor. The prodrug exhibited IC(50) values in the micromolar range and was 10-400-fold less cytotoxic in vitro than the phosphor... aid8293.table aid8293.tbin
8294 2 Title: Synthesis and evaluation of pteroic acid-conjugated nitroheterocyclic phosphoramidates as folate receptor-targeted alkylating agents. Abstract: A novel nitroheterocyclic bis(haloethyl)phosphoramidate prodrug linked through lysine to a pteroic acid has been prepared and evaluated as a potential alkylating agent to target tumor cells that overexpress the folate receptor. The prodrug exhibited IC(50) values in the micromolar range and was 10-400-fold less cytotoxic in vitro than the phosphor... aid8294.table aid8294.tbin
8295 2 Title: Discovery of aminothiazole inhibitors of cyclin-dependent kinase 2: synthesis, X-ray crystallographic analysis, and biological activities. Abstract: High throughput screening identified 2-acetamido-thiazolylthio acetic ester 1 as an inhibitor of cyclin-dependent kinase 2 (CDK2). Because this compound is inactive in cells and unstable in plasma, we have stabilized it to metabolic hydrolysis by replacing the ester moiety with a 5-ethyl-substituted oxazole as in compound 14. Combinatorial an... aid8295.table aid8295.tbin
8296 1 Title: 4-Substituted 4-hydroxycyclohexa-2,5-dien-1-ones with selective activities against colon and renal cancer cell lines. Abstract: The synthesis and antitumor evaluation of a series of new heteroaromatic- and aromatic-substituted hydroxycyclohexadienones (&quot;quinols&quot;), and their imine counterparts, are described. The quinols were synthesized via the addition of a lithiated aromatic moiety to a quinone ketal followed by deprotection. When the aromatic portion of the molecule is a fuse... aid8296.table aid8296.tbin
8297 5 Title: Structurally simple trichostatin A-like straight chain hydroxamates as potent histone deacetylase inhibitors. Abstract: A series of new, structurally simple trichostatin A (TSA)-like straight chain hydroxamates were prepared and evaluated for their ability to inhibit partially purified human histone deacetylase 1 (HDAC-1). Some of these compounds such as 8m, 8n, 12, and 15b exhibited potent HDAC inhibitory activity with low nanomolar IC(50) values, comparable to natural TSA. These compoun... aid8297.table aid8297.tbin
8298 13 Title: Synthesis, DNA cross-linking activity, and cytotoxicity of dimeric mitomycins. Abstract: Dimeric DNA cross-linking compounds have emerged as important new antitumor agents. We report the synthesis and biochemical evaluation of a select set of dimeric mitomycins in which the two mitomycin units are tethered at either the mitomycin C(7) amino or the aziridine N(1a) positions. Significantly, mitomycin C (1) itself is the prototypical bioreductive DNA cross-linking agent. DNA cross-linking ex... aid8298.table aid8298.tbin
8299 1 Title: Synthesis, DNA cross-linking activity, and cytotoxicity of dimeric mitomycins. Abstract: Dimeric DNA cross-linking compounds have emerged as important new antitumor agents. We report the synthesis and biochemical evaluation of a select set of dimeric mitomycins in which the two mitomycin units are tethered at either the mitomycin C(7) amino or the aziridine N(1a) positions. Significantly, mitomycin C (1) itself is the prototypical bioreductive DNA cross-linking agent. DNA cross-linking ex... aid8299.table aid8299.tbin
8300 1 Title: 3-Aryl-2-quinolone derivatives: synthesis and characterization of in vitro and in vivo antitumor effects with emphasis on a new therapeutical target connected with cell migration. Abstract: Among 25 3-aryl-2-quinolone derivatives synthesized, the antitumor activity of some of them was characterized both in vitro and in vivo. In this series, no compound appeared to be cytotoxic in vitro, as was known by the colorimetric MTT assay carried out on 12 distinct human cancer cell lines obtained ... aid8300.table aid8300.tbin
8301 12 Cytotoxicity was evaluated against A549 non-small cell lung carcinoma human cancer cell line aid8301.table aid8301.tbin
8302 8 Title: Synthesis and biological evaluation of 3-(4-substituted-phenyl)-N-hydroxy-2-propenamides, a new class of histone deacetylase inhibitors. Abstract: Inhibitors of histone deacetylases (HDACs) have been shown to induce differentiation and/or apoptosis of human tumor cells. Novel 3-(4-substituted-phenyl)-N-hydroxy-2-propenamides have been prepared as a new class of HDAC inhibitors and evaluated for their antiproliferative activity and HDAC inhibitory activity. Incorporation of a 1,4-phenylene... aid8302.table aid8302.tbin
8303 12 Title: 5-Arylamino-2-methyl-4,7-dioxobenzothiazoles as inhibitors of cyclin-dependent kinase 4 and cytotoxic agents. Abstract: 5-Arylamino-2-methyl-4,7-dioxobenzothiazoles were synthesized as inhibitors of cyclin-dependent kinase 4 (CDK4) and cytotoxic agents. Most of the 4,7-dioxobenzothiazoles exhibited selective inhibitory activities for the CDK4 and cytotoxic potential against human cancer cell lines. aid8303.table aid8303.tbin
8304 1 Title: 5-Arylamino-2-methyl-4,7-dioxobenzothiazoles as inhibitors of cyclin-dependent kinase 4 and cytotoxic agents. Abstract: 5-Arylamino-2-methyl-4,7-dioxobenzothiazoles were synthesized as inhibitors of cyclin-dependent kinase 4 (CDK4) and cytotoxic agents. Most of the 4,7-dioxobenzothiazoles exhibited selective inhibitory activities for the CDK4 and cytotoxic potential against human cancer cell lines. aid8304.table aid8304.tbin
8305 2 Title: Synthesis and biological evaluation of 3-(4-substituted-phenyl)-N-hydroxy-2-propenamides, a new class of histone deacetylase inhibitors. Abstract: Inhibitors of histone deacetylases (HDACs) have been shown to induce differentiation and/or apoptosis of human tumor cells. Novel 3-(4-substituted-phenyl)-N-hydroxy-2-propenamides have been prepared as a new class of HDAC inhibitors and evaluated for their antiproliferative activity and HDAC inhibitory activity. Incorporation of a 1,4-phenylene... aid8305.table aid8305.tbin
8306 10 Title: Novel antitumor artemisinin derivatives targeting G1 phase of the cell cycle. Abstract: Modification of artemisinin structure led us to the discovery of a novel class of antitumor compounds. These artemisinin derivatives containing cyano and aryl groups showed potent antiproliferative effect in vitro against P388 and A549 cells. This activity was reflected in P388 murine leukemia by an accumulation of cells in G1 phase, and induction of apoptosis. aid8306.table aid8306.tbin
8307 12 Title: Simplified discodermolide analogues: synthesis and biological evaluation of 4-epi-7-dehydroxy-14,16-didemethyl-(+)-discodermolides as microtubule-stabilizing agents. Abstract: Several novel analogues of (+)-discodermolide were synthesized via a convergent strategy that used Wittig reactions to append left and right side chains to a central scaffold and then tested for biological activity. Three of the analogues in the 4-epi-7-dehydroxy-14,16-didemethyl series, 6a-c, had interesting action... aid8307.table aid8307.tbin
8308 13 Title: Simplified discodermolide analogues: synthesis and biological evaluation of 4-epi-7-dehydroxy-14,16-didemethyl-(+)-discodermolides as microtubule-stabilizing agents. Abstract: Several novel analogues of (+)-discodermolide were synthesized via a convergent strategy that used Wittig reactions to append left and right side chains to a central scaffold and then tested for biological activity. Three of the analogues in the 4-epi-7-dehydroxy-14,16-didemethyl series, 6a-c, had interesting action... aid8308.table aid8308.tbin
8309 2 Title: Benzotrithiole 2-oxide: a new family of thiol-activated DNA-cleaving functionalities. Abstract: It was demonstrated in our studies that benzotrithiole 2-oxide was capable of causing efficient DNA cleavage in the presence of 2-mercaptoethanol or glutathione and exhibited potent cytotoxic properties against certain cancer cell lines. aid8309.table aid8309.tbin
8310 1 Title: Discovery and characterization of the potent, selective and orally bioavailable MMP inhibitor ABT-770. Abstract: Modification of the biphenyl portion of MMP inhibitor 2a gave analogue 2i which is greater than 1000-fold selective against MMP-2 versus MMP-1. The stereospecific synthesis of both enantiomers of 2i was achieved beginning with (S)- or (R)-benzyl glycidyl ether. The (S)-enantiomer, 11 (ABT-770), is orally bioavailable and efficacious in an in vivo model of tumor growth. aid8310.table aid8310.tbin
8311 4 Title: Azaindoles: moderately basic P1 groups for enhancing the selectivity of thrombin inhibitors. Abstract: Starting from a 2-amino-6-methylpyridine P1 group and following a strategy of enlarging it whilst reducing its polarity, we have developed a series of potent, moderately basic azaindoles which are intrinsically much more selective for thrombin versus trypsin. Certain pyrazinone acetamide azaindole derivatives have pharmacokinetic parameters after oral administration to dogs, or efficacy ... aid8311.table aid8311.tbin
8312 4 Area under curve was determined in dogs after oral administration (10 mg/kg) as a 0.05 M citric acid solution. aid8312.table aid8312.tbin
8313 2 Area under curve was determined in dogs after oral administration (8 mg/kg) as a 0.05 M citric acid solution. aid8313.table aid8313.tbin
8314 1 Title: Stereoselectivity of a potent calcium antagonist, 1-benzyl-3-pyrrolidinyl methyl 2,6-dimethyl-4-(m-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate. Abstract: Four enantiomers (3a-d) of the title compound, YM-09730 (3), were synthesized by the reaction of (-)- or (+)-5-(methoxycarbonyl)-2, 6-dimethyl-4-(m-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid (1a or 1b) with (S)- or (R)-1-benzyl-3-pyrrolidinol (2a or 2b). [3H]Nitrendipine binding affinity and coronary vasodilating activity ... aid8314.table aid8314.tbin
8315 1 Title: Stereoselectivity of a potent calcium antagonist, 1-benzyl-3-pyrrolidinyl methyl 2,6-dimethyl-4-(m-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate. Abstract: Four enantiomers (3a-d) of the title compound, YM-09730 (3), were synthesized by the reaction of (-)- or (+)-5-(methoxycarbonyl)-2, 6-dimethyl-4-(m-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid (1a or 1b) with (S)- or (R)-1-benzyl-3-pyrrolidinol (2a or 2b). [3H]Nitrendipine binding affinity and coronary vasodilating activity ... aid8315.table aid8315.tbin
8316 1 Title: Stereoselectivity of a potent calcium antagonist, 1-benzyl-3-pyrrolidinyl methyl 2,6-dimethyl-4-(m-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate. Abstract: Four enantiomers (3a-d) of the title compound, YM-09730 (3), were synthesized by the reaction of (-)- or (+)-5-(methoxycarbonyl)-2, 6-dimethyl-4-(m-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid (1a or 1b) with (S)- or (R)-1-benzyl-3-pyrrolidinol (2a or 2b). [3H]Nitrendipine binding affinity and coronary vasodilating activity ... aid8316.table aid8316.tbin
8317 1 Title: Stereoselectivity of a potent calcium antagonist, 1-benzyl-3-pyrrolidinyl methyl 2,6-dimethyl-4-(m-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate. Abstract: Four enantiomers (3a-d) of the title compound, YM-09730 (3), were synthesized by the reaction of (-)- or (+)-5-(methoxycarbonyl)-2, 6-dimethyl-4-(m-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid (1a or 1b) with (S)- or (R)-1-benzyl-3-pyrrolidinol (2a or 2b). [3H]Nitrendipine binding affinity and coronary vasodilating activity ... aid8317.table aid8317.tbin
8318 12 Title: Design, synthesis, and biological activity of 4-[(4-cyano-2-arylbenzyloxy)-(3-methyl-3H-imidazol-4-yl)methyl]benzonitriles as potent and selective farnesyltransferase inhibitors. Abstract: A novel series of 4-[(4-cyano-2-arylbenzyloxy)-(3-methyl-3H-imidazol-4-yl)methyl]benzonitriles have been synthesized as selective farnesyltransferase inhibitors using structure-based design. X-ray cocrystal structures of compound 20-FTase-HFP and A313326-FTase-HFP confirmed our initial design. The decre... aid8318.table aid8318.tbin
8319 1 Title: Structural analysis and optimization of NK(1) receptor antagonists through modulation of atropisomer interconversion properties. Abstract: We have previously described a series of antagonists that showed high potency and selectivity for the NK(1) receptor. However, these compounds also had the undesirable property of existing as a mixture of interconverting rotational isomers. Here we show that alteration of the 2-naphthyl substituent can modulate the rate of isomer exchange. Comparisons ... aid8319.table aid8319.tbin
8320 1 Area under the curve for compound was evaluated in dog at a dose of 10 mg/kg. aid8320.table aid8320.tbin
8321 2 Area under the curve for compound was evaluated in dog at a dose of 20 mg/kg. aid8321.table aid8321.tbin
8322 1 Title: Nonpeptidic HIV protease inhibitors: 6-alkyl-5,6-dihydropyran-2-ones possessing achiral 3-(4-amino/carboxamide-2-t-butyl,5-methylphenyl thio) moiety: antiviral activities and pharmacokinetic properties. Abstract: Dihydropyran-2-ones possessing amino and carboxamide functionalities on 3-SPh (2-tert-butyl, 5-methyl) ring were synthesized and evaluated for their antiviral activities. Both the enantiomers of inhibitor 15 were synthesized. The in vitro resistance profile, inhibitory activities... aid8322.table aid8322.tbin
8323 3 Title: Imidazo[4,5-b]pyridines as corticotropin releasing factor receptor ligands. Abstract: A series of high affinity CRF receptor ligands with an imidazo[4,5-b]pyridine core is described. Individual analogues were synthesized and tested in a rat CRF receptor binding assay. The best compounds were further tested in the dog N-in-1 pharmacokinetic model to assess plasma levels at 1mg/kg (po) and in the rat situational anxiety model to assess anxiolytic efficacy at 3mg/kg (po). The structure-activ... aid8323.table aid8323.tbin
8324 1 Title: Imidazo[4,5-c]pyridines as corticotropin releasing factor receptor ligands. Abstract: A series of high affinity CRF receptor ligands with an imidazo[4,5-c]pyridine core is described. Individual analogues were synthesized and tested in vitro in rat brain receptors to determine binding affinity. The best compound was further tested in the dog N-in-1 pharmacokinetic model to assess oral bioavailability at 1 mg/kg po. aid8324.table aid8324.tbin
8325 1 Title: Imidazo[4,5-c]pyridines as corticotropin releasing factor receptor ligands. Abstract: A series of high affinity CRF receptor ligands with an imidazo[4,5-c]pyridine core is described. Individual analogues were synthesized and tested in vitro in rat brain receptors to determine binding affinity. The best compound was further tested in the dog N-in-1 pharmacokinetic model to assess oral bioavailability at 1 mg/kg po. aid8325.table aid8325.tbin
8326 1 Title: Discovery, SAR, synthesis, pharmacokinetic and biochemical characterization of A-192411: a novel fungicidal lipopeptide-(I). Abstract: The echinocandin class of cyclic lipopeptides has been simplified to discover potent antifungal compounds. Namely A-192411 shows good in vitro activity against common pathogenic yeasts and has an acceptable safety window in vivo. Discovery, limited SAR, synthesis, biochemical and pharmaco-dynamic profiles of A-192411 are presented. aid8326.table aid8326.tbin
8327 1 Title: Discovery of zoniporide: a potent and selective sodium-hydrogen exchanger type 1 (NHE-1) inhibitor with high aqueous solubility. Abstract: Zoniporide (CP-597,396) is a potent and selective inhibitor of NHE-1, which exhibits high aqueous solubility and acceptable pharmacokinetics for intravenous administration. The discovery, synthesis, activities, and rat and dog pharmacokinetics of this compound are presented. The potency and selectivity of zoniporide may be due to the conformation that ... aid8327.table aid8327.tbin
8328 2 Title: C6 modification of the pyridinone core of thrombin inhibitor L-374,087 as a means of enhancing its oral absorption. Abstract: 1 (L-374,087) is a potent, selective, efficacious, and orally bioavailable thrombin inhibitor that contains a core 3-amino-2-pyridinone moiety. Replacement of the C6 pyridinone methyl group of 1 by a propyl group gave 5 (L-375,052), which retained all the excellent properties of 1, and also yielded higher plasma levels after oral dosing in dogs and rats. aid8328.table aid8328.tbin
8329 2 Title: C6 modification of the pyridinone core of thrombin inhibitor L-374,087 as a means of enhancing its oral absorption. Abstract: 1 (L-374,087) is a potent, selective, efficacious, and orally bioavailable thrombin inhibitor that contains a core 3-amino-2-pyridinone moiety. Replacement of the C6 pyridinone methyl group of 1 by a propyl group gave 5 (L-375,052), which retained all the excellent properties of 1, and also yielded higher plasma levels after oral dosing in dogs and rats. aid8329.table aid8329.tbin
8330 2 Title: Synthesis and biological evaluation of a water soluble phosphate prodrug of 3-aminopyridine-2-carboxaldehyde thiosemicarbazone (3-AP). Abstract: With the aim of improving its biological and pharmaceutical profiles, two water soluble phosphate prodrugs of 3-AP, 3a and 3b were prepared. The detailed synthesis and the preliminary evaluation of these prodrugs are described. aid8330.table aid8330.tbin
8331 18 Title: Non-covalent thrombin inhibitors featuring P(3)-heterocycles with P(1)-monocyclic arginine surrogates. Abstract: Investigations on P(2)-P(3)-heterocyclic dipeptide surrogates directed towards identification of an orally bioavailable thrombin inhibitor led us to pursue novel classes of achiral, non-covalent P(1)-arginine derivatives. The design, synthesis, and biological activity of inhibitors NC1-NC30 that feature three classes of monocyclic P(1)-arginine surrogates will be disclosed: (1)... aid8331.table aid8331.tbin
8332 29 Title: Non-covalent thrombin inhibitors featuring P3-heterocycles with P1-bicyclic arginine surrogates. Abstract: Novel, potent, and highly selective classes of thrombin inhibitors were identified, which resulted from judicious combination of P4-aromatics and P2-P3-heterocyclic dipeptide surrogates with weakly basic (calcd pKa approximately non-basic-8.6) bicyclic P1-arginine mimics. The design, synthesis, and biological activity of achiral, non-covalent, orally bioavailable inhibitors NC1-NC44 ... aid8332.table aid8332.tbin
8333 1 Title: Discovery of potent imidazole and cyanophenyl containing farnesyltransferase inhibitors with improved oral bioavailability. Abstract: A pyridyl moiety was introduced into a previously developed series of farnesyltransferase inhibitors containing imidazole and cyanophenyl (such as 4), resulting in potent inhibitors with improved pharmacokinetics. aid8333.table aid8333.tbin
8334 8 Title: Oxo-piperazine derivatives of N-arylpiperazinones as inhibitors of farnesyltransferase. Abstract: The evaluation of SAR associated with the insertion of carbonyl groups at various positions of N-arylpiperazinone farnesyltransferase inhibitors is described herein. 1-Aryl-2,3-diketopiperazine derivatives exhibited the best balance of potency and pharmacokinetic profile relative to the parent 1-aryl-2-piperazinones. aid8334.table aid8334.tbin
8335 1 Title: Synthesis, structure-activity relationships, and pharmacokinetic profiles of nonpeptidic difluoromethylene ketones as novel inhibitors of human chymase. Abstract: Potent human chymase inhibitors with high enzymatic selectivity and satisfactory metabolic stability were obtained by replacing the Val-Pro (P3-P2) dipeptide portion of the previously described inhibitor 1 with a nonpeptidic pyrimidinone skeleton. The potency of the novel compounds was further enhanced by the introduction of car... aid8335.table aid8335.tbin
8336 1 Title: Synthesis, structure-activity relationships, and pharmacokinetic profiles of nonpeptidic difluoromethylene ketones as novel inhibitors of human chymase. Abstract: Potent human chymase inhibitors with high enzymatic selectivity and satisfactory metabolic stability were obtained by replacing the Val-Pro (P3-P2) dipeptide portion of the previously described inhibitor 1 with a nonpeptidic pyrimidinone skeleton. The potency of the novel compounds was further enhanced by the introduction of car... aid8336.table aid8336.tbin
8337 1 Title: Inhibitors of cyclic AMP phosphodiesterase. 4. Synthesis and evaluation of potential prodrugs of lixazinone (N-cyclohexyl-N-methyl-4-[(1,2,3,5-tetrahydro-2- oxoimidazo[2,1-b]quinazolin-7-yl)-oxy]butyramide, RS-82856). Abstract: The cyclic AMP phosphodiesterase (cAMP PDE) inhibitor and cardiotonic agent lixazinone (N-cyclohexyl-N-methyl-4-[(1,2,3,5-tetrahydro-2- oxoimidazo[2,1-b]quinazolin-7-yl)oxy]butyramide, RS-82856, 1) and its acid and base addition salts were found to be insufficientl... aid8337.table aid8337.tbin
8338 1 Title: Inhibitors of cyclic AMP phosphodiesterase. 4. Synthesis and evaluation of potential prodrugs of lixazinone (N-cyclohexyl-N-methyl-4-[(1,2,3,5-tetrahydro-2- oxoimidazo[2,1-b]quinazolin-7-yl)-oxy]butyramide, RS-82856). Abstract: The cyclic AMP phosphodiesterase (cAMP PDE) inhibitor and cardiotonic agent lixazinone (N-cyclohexyl-N-methyl-4-[(1,2,3,5-tetrahydro-2- oxoimidazo[2,1-b]quinazolin-7-yl)oxy]butyramide, RS-82856, 1) and its acid and base addition salts were found to be insufficientl... aid8338.table aid8338.tbin
8339 1 Title: A simple stereoselective synthesis and biological evaluation of FR181157: orally active prostacyclin mimetic. Abstract: Synthetic method of a novel prostaglandin (PG) mimetic: FR181175 without PG skeleton are described. The key to success is creation of a chiral epoxide using Sharpless AD reaction with high ee yield. FR181157 shows high potency and agonist efficacy at the IP receptor and has good bioavailability. aid8339.table aid8339.tbin
8340 1 Title: 3-amino-4-sulfonylpyridinone acetamide and related pyridothiadiazine thrombin inhibitors. Abstract: We describe a series of highly potent and efficacious thrombin inhibitors based on a 3-amino-4-sulfonylpyridinone acetamide template. The functionally dense sulfonyl group stabilizes the aminopyridinone, conformationally constrains the 4-substituent, and forms a hydrogen bond to the insertion loop tyrosine OH. We also describe a related series of fused bicyclic dihydrothiadiazinedioxide der... aid8340.table aid8340.tbin
8341 20 Title: A combinatorial library of indinavir analogues and its in vitro and in vivo studies. Abstract: A combinatorial library of 300HIV protease inhibitors has been synthesized. The library was screened against recombinant wild-type and mutant HIV-1 protease enzymes. The pharmacokinetics of the library was evaluated by dosing in dogs. Compounds that are notably more potent than indinavir and have favorable pharmacokinetic properties were identified. aid8341.table aid8341.tbin
8342 3 Title: A combinatorial library of indinavir analogues and its in vitro and in vivo studies. Abstract: A combinatorial library of 300HIV protease inhibitors has been synthesized. The library was screened against recombinant wild-type and mutant HIV-1 protease enzymes. The pharmacokinetics of the library was evaluated by dosing in dogs. Compounds that are notably more potent than indinavir and have favorable pharmacokinetic properties were identified. aid8342.table aid8342.tbin
8343 4 Title: Antagonists of human CCR5 receptor containing 4-(pyrazolyl)piperidine side chains. Part 3: SAR studies on the benzylpyrazole segment. Abstract: Extensive SAR studies in our benzylpyrazole series of CCR5 antagonists have shown that both lipophilic and hydrophilic substituents on the phenyl of the benzyl group increase antiviral potency. However, improvements in pharmacokinetic profiles were generally only observed with more lipophilic substitutions. 4-Biphenyl (51) performed the best in th... aid8343.table aid8343.tbin
8344 2 Title: Antagonists of human CCR5 receptor containing 4-(pyrazolyl)piperidine side chains. Part 3: SAR studies on the benzylpyrazole segment. Abstract: Extensive SAR studies in our benzylpyrazole series of CCR5 antagonists have shown that both lipophilic and hydrophilic substituents on the phenyl of the benzyl group increase antiviral potency. However, improvements in pharmacokinetic profiles were generally only observed with more lipophilic substitutions. 4-Biphenyl (51) performed the best in th... aid8344.table aid8344.tbin
8345 2 Title: Antagonists of human CCR5 receptor containing 4-(pyrazolyl)piperidine side chains. Part 2: Discovery of potent, selective, and orally bioavailable compounds. Abstract: Modifications of the alkyl acetic acid portion and the phenyl on pyrrolidine in our lead pyrazole compound 1 afforded the isopropyl compound 9. This compound is a potent CCR5 antagonist showing good in vitro antiviral activity against HIV-1, an excellent selectivity profile, and good oral bioavailability in three animal spe... aid8345.table aid8345.tbin
8346 2 Title: Antagonists of human CCR5 receptor containing 4-(pyrazolyl)piperidine side chains. Part 3: SAR studies on the benzylpyrazole segment. Abstract: Extensive SAR studies in our benzylpyrazole series of CCR5 antagonists have shown that both lipophilic and hydrophilic substituents on the phenyl of the benzyl group increase antiviral potency. However, improvements in pharmacokinetic profiles were generally only observed with more lipophilic substitutions. 4-Biphenyl (51) performed the best in th... aid8346.table aid8346.tbin
8347 1 Title: Discovery, modeling, and human pharmacokinetics of N-(2-acetyl-4,6-dimethylphenyl)-3-(3,4-dimethylisoxazol-5-ylsulfamoyl)thiophene-2-carboxamide (TBC3711), a second generation, ETA selective, and orally bioavailable endothelin antagonist. Abstract: Sitaxsentan (1) (Wu et al. J. Med. Chem. 1997, 40, 1690) is our first endothelin antagonist being evaluated in clinical trials. It has demonstrated biological effects in an acute hemodynamic study in CHF (Givertz et al. Circulation 2000, 101, 2... aid8347.table aid8347.tbin
8348 5 Title: Design of potent, selective, and orally bioavailable inhibitors of cysteine protease cathepsin k. Abstract: Osteoclast-mediated bone matrix resorption has been attributed to cathepsin K, a cysteine protease of the papain family that is abundantly and selectively expressed in osteoclast. Inhibition of cathepsin K could potentially be an effective method to prevent osteoporosis. Structure-activity studies on a series of reversible ketoamides based inhibitors of cathepsin K have led to ident... aid8348.table aid8348.tbin
8349 1 Title: Design of potent, selective, and orally bioavailable inhibitors of cysteine protease cathepsin k. Abstract: Osteoclast-mediated bone matrix resorption has been attributed to cathepsin K, a cysteine protease of the papain family that is abundantly and selectively expressed in osteoclast. Inhibition of cathepsin K could potentially be an effective method to prevent osteoporosis. Structure-activity studies on a series of reversible ketoamides based inhibitors of cathepsin K have led to ident... aid8349.table aid8349.tbin
8350 1 Title: Design of small molecule ketoamide-based inhibitors of cathepsin K. Abstract: A novel series of ketoamide-based inhibitors of cathepsin K has been identified. Modifications to P(2) and P(3) elements were crucial to enhancing inhibitory activity. Although not optimized, a selected inhibitor was effective in attenuating type I collagen hydrolysis in a surrogate assay of bone resorption. aid8350.table aid8350.tbin
8351 2 Title: Human beta3-adrenergic receptor agonists containing 1,2,3-triazole-substituted benzenesulfonamides. Abstract: Compounds containing a 1,2,3-triazole-substituted benzenesulfonamide were prepared and found to be potent and selective human beta3-adrenergic receptor agonists. The most interesting compound, trifluoromethylbenzyl analogue 12e (beta3 EC50 = 3.1 nM with &gt;1500-fold selectivity over binding to both beta1- and beta2 receptors), stimulates lipolysis in the rhesus monkey (ED50 = 0.3... aid8351.table aid8351.tbin
8352 1 Title: Synthesis, structure-activity relationships, and pharmacokinetic profiles of nonpeptidic difluoromethylene ketones as novel inhibitors of human chymase. Abstract: Potent human chymase inhibitors with high enzymatic selectivity and satisfactory metabolic stability were obtained by replacing the Val-Pro (P3-P2) dipeptide portion of the previously described inhibitor 1 with a nonpeptidic pyrimidinone skeleton. The potency of the novel compounds was further enhanced by the introduction of car... aid8352.table aid8352.tbin
8353 1 Title: Structure-activity relationship study and drug profile of N-(4-fluorophenylsulfonyl)-L-valyl-L-leucinal (SJA6017) as a potent calpain inhibitor. Abstract: Novel N-arylsulfonyldipeptidyl aldehyde derivatives were prepared by DMSO oxidation from the corresponding dipeptide alcohol, and their potencies as calpain inhibitors were evaluated in vitro. Among them, N-(4-fluorophenylsulfonyl)-l-valyl-l-leucinal (8, SJA6017) potently inhibited calpains. 8 also inhibited cathepsin B and L but did no... aid8353.table aid8353.tbin
8354 1 Title: Structure-activity relationship study and drug profile of N-(4-fluorophenylsulfonyl)-L-valyl-L-leucinal (SJA6017) as a potent calpain inhibitor. Abstract: Novel N-arylsulfonyldipeptidyl aldehyde derivatives were prepared by DMSO oxidation from the corresponding dipeptide alcohol, and their potencies as calpain inhibitors were evaluated in vitro. Among them, N-(4-fluorophenylsulfonyl)-l-valyl-l-leucinal (8, SJA6017) potently inhibited calpains. 8 also inhibited cathepsin B and L but did no... aid8354.table aid8354.tbin
8355 1 Title: Methyloxime-substituted aminopyrrolidine: a new surrogate for 7-basic group of quinolone. Abstract: Novel fluoroquinolones containing oxime functionalized aminopyrrolidines have been synthesized. They were found to possess potent antibacterial activities against both Gram-negative and Gram-positive organisms, including methicillin resistant Staphylococcus aureus (MRSA). Among these compounds, LB20277 (compound 12) showed the most favorable in vivo efficacy and pharmacokinetic profile in a... aid8355.table aid8355.tbin
8356 1 Title: Orally active fibrinogen receptor antagonists. 2. Amidoximes as prodrugs of amidines. Abstract: The potent and selective GP IIb-IIIa antagonist lamifiban (1, Ro 44-9883) is currently in clinical development as an injectable antithrombotic agent for treating and preventing acute coronary syndromes. However, for secondary prevention of thrombotic occlusions, orally active inhibitors are needed. By means of a prodrug strategy, the modest oral absorption of 1 in mice was improved by a factor ... aid8356.table aid8356.tbin
8357 1 Title: Discovery of novel, orally active dual NK1/NK2 antagonists. Abstract: Exploration of the SAR around selective NK2 antagonists, SR48968 and ZD7944, led to the discovery that naphth-1-amide analogues provide potent dual NK1 and NK2 antagonists. ZD6021 inhibited binding of [3H]-NKA or [3H]-SP to human NK1 and NK2 receptors, with high-affinity (K(i)=0.12 and 0.62nM, respectively). In functional assays ZD6021 had, at 10(-7)M, in human pulmonary artery pK(B)=8.9 and in human bronchus pK(B)=7.3,... aid8357.table aid8357.tbin
8358 1 Title: Pharmacological treatment of obesity: therapeutic strategies. aid8358.table aid8358.tbin
8359 2 Title: Structure-activity relationship investigations of a potent and selective benzodiazepine oxytocin antagonist. Abstract: We have investigated the structure-activity relationships of the 1- and 3-substituents and replacements of the 5-phenyl group of GW405212X 1, a potent selective oxytocin antagonist. The effect of these modifications on oxytocin binding antagonism and on pharmacokinetic parameters is reported. aid8359.table aid8359.tbin
8360 3 Title: Structure-based design and synthesis of non-nucleoside, potent, and orally bioavailable adenosine deaminase inhibitors. Abstract: We disclose optimization efforts based on the novel non-nucleoside adenosine deaminase (ADA) inhibitor, 4 (K(i) = 680 nM). Structure-based drug design utilizing the crystal structure of the 4/ADA complex led to discovery of 5 (K(i) = 11 nM, BA = 30% in rats). Furthermore, from metabolic considerations, we discovered two inhibitors with improved oral bioavailabi... aid8360.table aid8360.tbin
8361 1 Title: Structure-based design and synthesis of non-nucleoside, potent, and orally bioavailable adenosine deaminase inhibitors. Abstract: We disclose optimization efforts based on the novel non-nucleoside adenosine deaminase (ADA) inhibitor, 4 (K(i) = 680 nM). Structure-based drug design utilizing the crystal structure of the 4/ADA complex led to discovery of 5 (K(i) = 11 nM, BA = 30% in rats). Furthermore, from metabolic considerations, we discovered two inhibitors with improved oral bioavailabi... aid8361.table aid8361.tbin
8362 2 Bioavailability in dog (dose 10.0 mg/kg p.o.) aid8362.table aid8362.tbin
8363 1 Title: Structural analysis and optimization of NK(1) receptor antagonists through modulation of atropisomer interconversion properties. Abstract: We have previously described a series of antagonists that showed high potency and selectivity for the NK(1) receptor. However, these compounds also had the undesirable property of existing as a mixture of interconverting rotational isomers. Here we show that alteration of the 2-naphthyl substituent can modulate the rate of isomer exchange. Comparisons ... aid8363.table aid8363.tbin
8364 1 Title: Nonpeptidic HIV protease inhibitors: 6-alkyl-5,6-dihydropyran-2-ones possessing achiral 3-(4-amino/carboxamide-2-t-butyl,5-methylphenyl thio) moiety: antiviral activities and pharmacokinetic properties. Abstract: Dihydropyran-2-ones possessing amino and carboxamide functionalities on 3-SPh (2-tert-butyl, 5-methyl) ring were synthesized and evaluated for their antiviral activities. Both the enantiomers of inhibitor 15 were synthesized. The in vitro resistance profile, inhibitory activities... aid8364.table aid8364.tbin
8365 1 Compound was evaluated for the biodistribution of tumor-imaging agent in B16 melanoma bearing mice kidney upon intraveneous administration at 2.6 gmol/mice after 3 hour aid8365.table aid8365.tbin
8366 1 Compound was evaluated for the biodistribution of tumor-imaging agent in B16 melanoma bearing mice liver upon intraveneous administration at 2.6 gmol/mice after 1 hour aid8366.table aid8366.tbin
8367 1 Compound was evaluated for the biodistribution of tumor-imaging agent in B16 melanoma bearing mice liver upon intraveneous administration at 2.6 gmol/mice after 24 hour aid8367.table aid8367.tbin
8368 1 Compound was evaluated for the biodistribution of tumor-imaging agent in B16 melanoma bearing mice liver upon intraveneous administration at 2.6 gmol/mice after 3 hour aid8368.table aid8368.tbin
8369 1 Compound was evaluated for the biodistribution of tumor-imaging agent in B16 melanoma bearing mice lungs upon intraveneous administration at 2.6 gmol/mice after 1 hour aid8369.table aid8369.tbin
8370 1 Compound was evaluated for the biodistribution of tumor-imaging agent in B16 melanoma bearing mice lungs upon intraveneous administration at 2.6 gmol/mice after 3 hour aid8370.table aid8370.tbin
8371 1 Compound was evaluated for the biodistribution of tumor-imaging agent in B16 melanoma bearing mice muscle upon intraveneous administration at 2.6 gmol/mice after 1 hour aid8371.table aid8371.tbin
8372 1 Compound was evaluated for the biodistribution of tumor-imaging agent in B16 melanoma bearing mice muscle upon intraveneous administration at 2.6 gmol/mice after 24 hour aid8372.table aid8372.tbin
8373 1 Compound was evaluated for the biodistribution of tumor-imaging agent in B16 melanoma bearing mice muscle upon intraveneous administration at 2.6 gmol/mice after 3 hour aid8373.table aid8373.tbin
8374 1 Compound was evaluated for the biodistribution of tumor-imaging agent in B16 melanoma bearing mice spleen upon intraveneous administration at 2.6 gmol/mice after 1 hour aid8374.table aid8374.tbin
8375 1 Compound was evaluated for the biodistribution of tumor-imaging agent in B16 melanoma bearing mice spleen upon intraveneous administration at 2.6 gmol/mice after 3 hour aid8375.table aid8375.tbin
8376 1 Compound was evaluated for the biodistribution of tumor-imaging agent in B16 melanoma bearing mice upon intraveneous administration at 2.6 gmol/mice after 1 hour aid8376.table aid8376.tbin
8377 1 Compound was evaluated for the biodistribution of tumor-imaging agent in B16 melanoma bearing mice upon intraveneous administration at 2.6 gmol/mice after 24 hour aid8377.table aid8377.tbin
8378 1 Compound was evaluated for the biodistribution of tumor-imaging agent in B16 melanoma bearing mice upon intraveneous administration at 2.6 gmol/mice after 3 hour aid8378.table aid8378.tbin
8379 1 Compound was evaluated for the biodistribution of tumor-imaging agent in B16 melanoma bearing mice uvea upon intraveneous administration at 2.6 gmol/mice after 24 hour aid8379.table aid8379.tbin
8380 1 Compound was evaluated for the biodistribution of tumor-imaging agent in B16 melanoma bearing mice uvea upon intraveneous administration at 2.6 gmol/mice after 3 hour aid8380.table aid8380.tbin
8381 1 Title: Synthesis and evaluation of two 18F-labeled 6-iodo-2-(4'-N,N-dimethylamino)phenylimidazo[1,2-a]pyridine derivatives as prospective radioligands for beta-amyloid in Alzheimer's disease. Abstract: This study evaluated (18)F-labeled IMPY [6-iodo-2-(4'-N,N-dimethylamino)phenylimidazo[1,2-a]pyridine] derivatives as agents for imaging beta-amyloid plaque with positron emission tomography (PET). The precursor for radiolabeling and reference compounds was synthesized in up to five steps from comm... aid8381.table aid8381.tbin
8382 1 Title: Synthesis and evaluation of two 18F-labeled 6-iodo-2-(4'-N,N-dimethylamino)phenylimidazo[1,2-a]pyridine derivatives as prospective radioligands for beta-amyloid in Alzheimer's disease. Abstract: This study evaluated (18)F-labeled IMPY [6-iodo-2-(4'-N,N-dimethylamino)phenylimidazo[1,2-a]pyridine] derivatives as agents for imaging beta-amyloid plaque with positron emission tomography (PET). The precursor for radiolabeling and reference compounds was synthesized in up to five steps from comm... aid8382.table aid8382.tbin
8383 1 Title: Synthesis and evaluation of two 18F-labeled 6-iodo-2-(4'-N,N-dimethylamino)phenylimidazo[1,2-a]pyridine derivatives as prospective radioligands for beta-amyloid in Alzheimer's disease. Abstract: This study evaluated (18)F-labeled IMPY [6-iodo-2-(4'-N,N-dimethylamino)phenylimidazo[1,2-a]pyridine] derivatives as agents for imaging beta-amyloid plaque with positron emission tomography (PET). The precursor for radiolabeling and reference compounds was synthesized in up to five steps from comm... aid8383.table aid8383.tbin
8384 1 Title: Synthesis and evaluation of two 18F-labeled 6-iodo-2-(4'-N,N-dimethylamino)phenylimidazo[1,2-a]pyridine derivatives as prospective radioligands for beta-amyloid in Alzheimer's disease. Abstract: This study evaluated (18)F-labeled IMPY [6-iodo-2-(4'-N,N-dimethylamino)phenylimidazo[1,2-a]pyridine] derivatives as agents for imaging beta-amyloid plaque with positron emission tomography (PET). The precursor for radiolabeling and reference compounds was synthesized in up to five steps from comm... aid8384.table aid8384.tbin
8385 1 Title: Synthesis and evaluation of two 18F-labeled 6-iodo-2-(4'-N,N-dimethylamino)phenylimidazo[1,2-a]pyridine derivatives as prospective radioligands for beta-amyloid in Alzheimer's disease. Abstract: This study evaluated (18)F-labeled IMPY [6-iodo-2-(4'-N,N-dimethylamino)phenylimidazo[1,2-a]pyridine] derivatives as agents for imaging beta-amyloid plaque with positron emission tomography (PET). The precursor for radiolabeling and reference compounds was synthesized in up to five steps from comm... aid8385.table aid8385.tbin
8386 1 Title: Synthesis and evaluation of two 18F-labeled 6-iodo-2-(4'-N,N-dimethylamino)phenylimidazo[1,2-a]pyridine derivatives as prospective radioligands for beta-amyloid in Alzheimer's disease. Abstract: This study evaluated (18)F-labeled IMPY [6-iodo-2-(4'-N,N-dimethylamino)phenylimidazo[1,2-a]pyridine] derivatives as agents for imaging beta-amyloid plaque with positron emission tomography (PET). The precursor for radiolabeling and reference compounds was synthesized in up to five steps from comm... aid8386.table aid8386.tbin
8387 1 Title: Synthesis and evaluation of two 18F-labeled 6-iodo-2-(4'-N,N-dimethylamino)phenylimidazo[1,2-a]pyridine derivatives as prospective radioligands for beta-amyloid in Alzheimer's disease. Abstract: This study evaluated (18)F-labeled IMPY [6-iodo-2-(4'-N,N-dimethylamino)phenylimidazo[1,2-a]pyridine] derivatives as agents for imaging beta-amyloid plaque with positron emission tomography (PET). The precursor for radiolabeling and reference compounds was synthesized in up to five steps from comm... aid8387.table aid8387.tbin
8388 1 Title: Synthesis and evaluation of two 18F-labeled 6-iodo-2-(4'-N,N-dimethylamino)phenylimidazo[1,2-a]pyridine derivatives as prospective radioligands for beta-amyloid in Alzheimer's disease. Abstract: This study evaluated (18)F-labeled IMPY [6-iodo-2-(4'-N,N-dimethylamino)phenylimidazo[1,2-a]pyridine] derivatives as agents for imaging beta-amyloid plaque with positron emission tomography (PET). The precursor for radiolabeling and reference compounds was synthesized in up to five steps from comm... aid8388.table aid8388.tbin
8389 1 Title: Synthesis and evaluation of two 18F-labeled 6-iodo-2-(4'-N,N-dimethylamino)phenylimidazo[1,2-a]pyridine derivatives as prospective radioligands for beta-amyloid in Alzheimer's disease. Abstract: This study evaluated (18)F-labeled IMPY [6-iodo-2-(4'-N,N-dimethylamino)phenylimidazo[1,2-a]pyridine] derivatives as agents for imaging beta-amyloid plaque with positron emission tomography (PET). The precursor for radiolabeling and reference compounds was synthesized in up to five steps from comm... aid8389.table aid8389.tbin
8390 1 Title: Synthesis and evaluation of two 18F-labeled 6-iodo-2-(4'-N,N-dimethylamino)phenylimidazo[1,2-a]pyridine derivatives as prospective radioligands for beta-amyloid in Alzheimer's disease. Abstract: This study evaluated (18)F-labeled IMPY [6-iodo-2-(4'-N,N-dimethylamino)phenylimidazo[1,2-a]pyridine] derivatives as agents for imaging beta-amyloid plaque with positron emission tomography (PET). The precursor for radiolabeling and reference compounds was synthesized in up to five steps from comm... aid8390.table aid8390.tbin
8391 1 Title: Discovery, modeling, and human pharmacokinetics of N-(2-acetyl-4,6-dimethylphenyl)-3-(3,4-dimethylisoxazol-5-ylsulfamoyl)thiophene-2-carboxamide (TBC3711), a second generation, ETA selective, and orally bioavailable endothelin antagonist. Abstract: Sitaxsentan (1) (Wu et al. J. Med. Chem. 1997, 40, 1690) is our first endothelin antagonist being evaluated in clinical trials. It has demonstrated biological effects in an acute hemodynamic study in CHF (Givertz et al. Circulation 2000, 101, 2... aid8391.table aid8391.tbin
8392 1 Title: 4-[5-Fluoro-3-[4-(2-methyl-1H-imidazol-1-yl)benzyloxy]phenyl]-3,4,5,6- tetrahydro-2H-pyran-4-carboxamide, an orally active inhibitor of 5-lipoxygenase with improved pharmacokinetic and toxicology characteristics. Abstract: Described herein are structure-activity relationships (SARs) of 4-[5-fluoro-3-[4-(2-methyl-1H-imidazol-1-yl)benzyloxy]-phenyl]-4-methoxy-3,4,5,6-tetrahydro-2H-pyran (1, CJ-12,918), an imidazole 5-lipoxygenase (5-LO) inhibitor. When 1 was tested in preclinical studies, c... aid8392.table aid8392.tbin
8393 1 Title: Discovery, modeling, and human pharmacokinetics of N-(2-acetyl-4,6-dimethylphenyl)-3-(3,4-dimethylisoxazol-5-ylsulfamoyl)thiophene-2-carboxamide (TBC3711), a second generation, ETA selective, and orally bioavailable endothelin antagonist. Abstract: Sitaxsentan (1) (Wu et al. J. Med. Chem. 1997, 40, 1690) is our first endothelin antagonist being evaluated in clinical trials. It has demonstrated biological effects in an acute hemodynamic study in CHF (Givertz et al. Circulation 2000, 101, 2... aid8393.table aid8393.tbin
8394 1 Half-life in rhesus monkeys by intravenous administration of dose aid8394.table aid8394.tbin
8395 2 Title: Design and synthesis of fluorinated RXR modulators. Abstract: Fluorinated trienoic acid analogues of the RXR selective modulator 1 (LG101506) were synthesized, and tested for their ability to bind RXRalpha and activate RXR homo and heterodimers. Potency and efficacy were observed to be dependent upon the position of fluorination, and improvement in pharmacological profile was demonstrated in some cases. aid8395.table aid8395.tbin
8396 1 Title: Synthesis and evaluation of dihydropyrroloquinolines that selectively antagonize P-glycoprotein. Abstract: In a search for improved multiple drug resistance (MDR) modulators, we identified a novel series of substituted pyrroloquinolines that selectively inhibits the function of P-glycoprotein (Pgp) without modulating multidrug resistance-related protein 1 (MRP1). These compounds were evaluated for their toxicity toward drug-sensitive tumor cells (i.e. MCF-7, T24) and for their ability to ... aid8396.table aid8396.tbin
8397 4 Title: Synthesis and structure-activity relationships of 1-arylmethyl-5-aryl-6-methyluracils as potent gonadotropin-releasing hormone receptor antagonists. Abstract: Based on the SAR from bicyclic gonadotropin-releasing hormone (GnRH) antagonists such as 6-aminomethyl-7-aryl-pyrrolo[1,2-a]pyrimid-4-ones (5) and 2-aryl-3-aminomethyl-imidazolo[1,2-a]pyrimid-5-ones (6a,b), a series of novel uracil compounds (8) were derived as GnRH antagonists. The synthesis and SAR studies of 6-methyluracils as hu... aid8397.table aid8397.tbin
8398 1 Title: Discovery and evaluation of piperidinyl carboxylic acid derivatives as potent alpha(4)beta(1) integrin antagonists. Abstract: Piperidinyl carboxylic acid-based derivatives were prepared as antagonists of the leukocyte cell adhesion process that is mediated through the interaction of the alpha(4)beta(1) integrin (VLA-4, very late antigen 4) and the vascular cell adhesion molecule 1 (VCAM-1). Compounds 2a-h inhibited the adhesion in a cell-based assay in the low and sub micromolar range, a ... aid8398.table aid8398.tbin
8399 2 Title: Synthesis and biological evaluation of novel 1beta-methylcarbapenems having a new moiety at C-2. Abstract: The synthesis and biological activity of the novel series of 1 beta-methylcarbapenems 1a-f, bearing a variety of 3&quot;,4&quot;-disubstituted pyrrolidinamides as substituents at C-2, are described. Of these carbapenems, diol 1a showed the most potent and well balanced antibacterial activity against Gram-positive and Gram-negative. 1a was also evaluated for pharmacokinetics and in vi... aid8399.table aid8399.tbin
8400 2 Title: Orally active indole N-oxide PDE4 inhibitors. Abstract: This communication describes the synthesis and in vitro and in vivo evaluation of a novel potent series of phosphodiesterase type (IV) (PDE4) inhibitors. Several of the compounds presented possess low nanomolar IC50's for PDE4 inhibition and excellent in vivo activity for inhibition of TNF-alpha levels in LPS challenged mice (mouse endotoxemia model). Emesis studies (dog) and efficacy in a SCW arthritis model for the most potent PDE4... aid8400.table aid8400.tbin
8401 2 Title: Orally active indole N-oxide PDE4 inhibitors. Abstract: This communication describes the synthesis and in vitro and in vivo evaluation of a novel potent series of phosphodiesterase type (IV) (PDE4) inhibitors. Several of the compounds presented possess low nanomolar IC50's for PDE4 inhibition and excellent in vivo activity for inhibition of TNF-alpha levels in LPS challenged mice (mouse endotoxemia model). Emesis studies (dog) and efficacy in a SCW arthritis model for the most potent PDE4... aid8401.table aid8401.tbin
8402 4 Title: Design and synthesis of novel RXR-selective modulators with improved pharmacological profile. Abstract: New RXR-selective modulators possessing a 6-fluoro trienoic acid moiety (6Z olefin) or a fluorinated/heterocyclic-substituted benzene core ring, were synthesized in an expedient and selective way. A subset of these compounds was evaluated for their metabolic properties (exposure in IRC male mice) and show a dramatic increase of exposure compared to our reference compound, 3 (LG101506). aid8402.table aid8402.tbin
8403 2 Title: Design and synthesis of new templates derived from pyrrolopyrimidine as selective multidrug-resistance-associated protein inhibitors in multidrug resistance. Abstract: In our continued effort to identify selective MRP1 modulators, we have developed two novel templates, 3 and 4, through rational drug design by identifying the key pharmacophore interaction at the 7-position of the pyrrolopyrimidine template 1. Further synthesis and SAR work on these novel templates gave a number of potent M... aid8403.table aid8403.tbin
8404 3 Title: Studies on pyrrolopyrimidines as selective inhibitors of multidrug-resistance-associated protein in multidrug resistance. Abstract: Multidrug resistance mediated by P-glycoprotein (Pgp) or multidrug-resistance-associated protein (MRP) remains a major obstacle for successful treatment of cancer. Inhibition of Pgp and MRP transport is important for high efficacy of anticancer drugs. While several Pgp inhibitors have entered clinical trials, the development of specific MRP1 inhibitors is sti... aid8404.table aid8404.tbin
8405 5 Title: Studies on pyrrolopyrimidines as selective inhibitors of multidrug-resistance-associated protein in multidrug resistance. Abstract: Multidrug resistance mediated by P-glycoprotein (Pgp) or multidrug-resistance-associated protein (MRP) remains a major obstacle for successful treatment of cancer. Inhibition of Pgp and MRP transport is important for high efficacy of anticancer drugs. While several Pgp inhibitors have entered clinical trials, the development of specific MRP1 inhibitors is sti... aid8405.table aid8405.tbin
8406 4 Title: Design and synthesis of new templates derived from pyrrolopyrimidine as selective multidrug-resistance-associated protein inhibitors in multidrug resistance. Abstract: In our continued effort to identify selective MRP1 modulators, we have developed two novel templates, 3 and 4, through rational drug design by identifying the key pharmacophore interaction at the 7-position of the pyrrolopyrimidine template 1. Further synthesis and SAR work on these novel templates gave a number of potent M... aid8406.table aid8406.tbin
8407 3 Title: New antitumor agents containing the anthracene nucleus. Abstract: A series of 21 new compounds related to bisantrene was synthesized and tested in vitro by using clonogenic assays against a variety of human tumor cell lines, fresh human tumors, and P-388 leukemia. Those most closely related to bisantrene were less active than it was, but a subset of compounds with saturated side chains containing two basic nitrogens showed good activity. Two compounds of this subset, N,N'-bis[2-(dimethyla... aid8407.table aid8407.tbin
8408 1 Title: New antitumor agents containing the anthracene nucleus. Abstract: A series of 21 new compounds related to bisantrene was synthesized and tested in vitro by using clonogenic assays against a variety of human tumor cell lines, fresh human tumors, and P-388 leukemia. Those most closely related to bisantrene were less active than it was, but a subset of compounds with saturated side chains containing two basic nitrogens showed good activity. Two compounds of this subset, N,N'-bis[2-(dimethyla... aid8408.table aid8408.tbin
8409 1 Title: New antitumor agents containing the anthracene nucleus. Abstract: A series of 21 new compounds related to bisantrene was synthesized and tested in vitro by using clonogenic assays against a variety of human tumor cell lines, fresh human tumors, and P-388 leukemia. Those most closely related to bisantrene were less active than it was, but a subset of compounds with saturated side chains containing two basic nitrogens showed good activity. Two compounds of this subset, N,N'-bis[2-(dimethyla... aid8409.table aid8409.tbin
8410 1 Title: New antitumor agents containing the anthracene nucleus. Abstract: A series of 21 new compounds related to bisantrene was synthesized and tested in vitro by using clonogenic assays against a variety of human tumor cell lines, fresh human tumors, and P-388 leukemia. Those most closely related to bisantrene were less active than it was, but a subset of compounds with saturated side chains containing two basic nitrogens showed good activity. Two compounds of this subset, N,N'-bis[2-(dimethyla... aid8410.table aid8410.tbin
8411 1 Title: New antitumor agents containing the anthracene nucleus. Abstract: A series of 21 new compounds related to bisantrene was synthesized and tested in vitro by using clonogenic assays against a variety of human tumor cell lines, fresh human tumors, and P-388 leukemia. Those most closely related to bisantrene were less active than it was, but a subset of compounds with saturated side chains containing two basic nitrogens showed good activity. Two compounds of this subset, N,N'-bis[2-(dimethyla... aid8411.table aid8411.tbin
8412 3 Title: New antitumor agents containing the anthracene nucleus. Abstract: A series of 21 new compounds related to bisantrene was synthesized and tested in vitro by using clonogenic assays against a variety of human tumor cell lines, fresh human tumors, and P-388 leukemia. Those most closely related to bisantrene were less active than it was, but a subset of compounds with saturated side chains containing two basic nitrogens showed good activity. Two compounds of this subset, N,N'-bis[2-(dimethyla... aid8412.table aid8412.tbin
8413 1 Title: New antitumor agents containing the anthracene nucleus. Abstract: A series of 21 new compounds related to bisantrene was synthesized and tested in vitro by using clonogenic assays against a variety of human tumor cell lines, fresh human tumors, and P-388 leukemia. Those most closely related to bisantrene were less active than it was, but a subset of compounds with saturated side chains containing two basic nitrogens showed good activity. Two compounds of this subset, N,N'-bis[2-(dimethyla... aid8413.table aid8413.tbin
8414 2 Title: New antitumor agents containing the anthracene nucleus. Abstract: A series of 21 new compounds related to bisantrene was synthesized and tested in vitro by using clonogenic assays against a variety of human tumor cell lines, fresh human tumors, and P-388 leukemia. Those most closely related to bisantrene were less active than it was, but a subset of compounds with saturated side chains containing two basic nitrogens showed good activity. Two compounds of this subset, N,N'-bis[2-(dimethyla... aid8414.table aid8414.tbin
8415 3 Title: New antitumor agents containing the anthracene nucleus. Abstract: A series of 21 new compounds related to bisantrene was synthesized and tested in vitro by using clonogenic assays against a variety of human tumor cell lines, fresh human tumors, and P-388 leukemia. Those most closely related to bisantrene were less active than it was, but a subset of compounds with saturated side chains containing two basic nitrogens showed good activity. Two compounds of this subset, N,N'-bis[2-(dimethyla... aid8415.table aid8415.tbin
8416 1 Title: New antitumor agents containing the anthracene nucleus. Abstract: A series of 21 new compounds related to bisantrene was synthesized and tested in vitro by using clonogenic assays against a variety of human tumor cell lines, fresh human tumors, and P-388 leukemia. Those most closely related to bisantrene were less active than it was, but a subset of compounds with saturated side chains containing two basic nitrogens showed good activity. Two compounds of this subset, N,N'-bis[2-(dimethyla... aid8416.table aid8416.tbin
8417 1 Title: New antitumor agents containing the anthracene nucleus. Abstract: A series of 21 new compounds related to bisantrene was synthesized and tested in vitro by using clonogenic assays against a variety of human tumor cell lines, fresh human tumors, and P-388 leukemia. Those most closely related to bisantrene were less active than it was, but a subset of compounds with saturated side chains containing two basic nitrogens showed good activity. Two compounds of this subset, N,N'-bis[2-(dimethyla... aid8417.table aid8417.tbin
8418 1 Title: New antitumor agents containing the anthracene nucleus. Abstract: A series of 21 new compounds related to bisantrene was synthesized and tested in vitro by using clonogenic assays against a variety of human tumor cell lines, fresh human tumors, and P-388 leukemia. Those most closely related to bisantrene were less active than it was, but a subset of compounds with saturated side chains containing two basic nitrogens showed good activity. Two compounds of this subset, N,N'-bis[2-(dimethyla... aid8418.table aid8418.tbin
8419 1 Title: New antitumor agents containing the anthracene nucleus. Abstract: A series of 21 new compounds related to bisantrene was synthesized and tested in vitro by using clonogenic assays against a variety of human tumor cell lines, fresh human tumors, and P-388 leukemia. Those most closely related to bisantrene were less active than it was, but a subset of compounds with saturated side chains containing two basic nitrogens showed good activity. Two compounds of this subset, N,N'-bis[2-(dimethyla... aid8419.table aid8419.tbin
8420 3 Title: New antitumor agents containing the anthracene nucleus. Abstract: A series of 21 new compounds related to bisantrene was synthesized and tested in vitro by using clonogenic assays against a variety of human tumor cell lines, fresh human tumors, and P-388 leukemia. Those most closely related to bisantrene were less active than it was, but a subset of compounds with saturated side chains containing two basic nitrogens showed good activity. Two compounds of this subset, N,N'-bis[2-(dimethyla... aid8420.table aid8420.tbin
8421 1 Title: New antitumor agents containing the anthracene nucleus. Abstract: A series of 21 new compounds related to bisantrene was synthesized and tested in vitro by using clonogenic assays against a variety of human tumor cell lines, fresh human tumors, and P-388 leukemia. Those most closely related to bisantrene were less active than it was, but a subset of compounds with saturated side chains containing two basic nitrogens showed good activity. Two compounds of this subset, N,N'-bis[2-(dimethyla... aid8421.table aid8421.tbin
8422 2 Title: New antitumor agents containing the anthracene nucleus. Abstract: A series of 21 new compounds related to bisantrene was synthesized and tested in vitro by using clonogenic assays against a variety of human tumor cell lines, fresh human tumors, and P-388 leukemia. Those most closely related to bisantrene were less active than it was, but a subset of compounds with saturated side chains containing two basic nitrogens showed good activity. Two compounds of this subset, N,N'-bis[2-(dimethyla... aid8422.table aid8422.tbin
8423 17 Title: New antitumor agents containing the anthracene nucleus. Abstract: A series of 21 new compounds related to bisantrene was synthesized and tested in vitro by using clonogenic assays against a variety of human tumor cell lines, fresh human tumors, and P-388 leukemia. Those most closely related to bisantrene were less active than it was, but a subset of compounds with saturated side chains containing two basic nitrogens showed good activity. Two compounds of this subset, N,N'-bis[2-(dimethyla... aid8423.table aid8423.tbin
8424 6 Title: Novel non-cross resistant diaminoanthraquinones as potential chemotherapeutic agents. Abstract: A novel series of diaminoanthraquinones was discovered initially as protein kinase C inhibitors with IC50s in the 50-100 microM range. They exhibited potent tumor cell growth inhibitory activity in vitro without cross resistance to adriamycin. Further evaluation of two of the most active compounds NSC 639365 (3) and NSC 639366 (4) in human tumor cloning assay showed potent cytocidal activity. T... aid8424.table aid8424.tbin
8425 5 Title: Design, synthesis, and biological evaluation of a series of fluoroquinoanthroxazines with contrasting dual mechanisms of action against topoisomerase II and G-quadruplexes. Abstract: Topoisomerase inhibitors are important and clinically effective drugs, while G-quadruplex-interactive compounds that disrupt telomere maintenance mechanisms have yet to be proven useful in the clinic. If G-quadruplex-interactive compounds are to be clinically useful, it will most likely be in combination with... aid8425.table aid8425.tbin
8426 5 Title: Design, synthesis, and biological evaluation of a series of fluoroquinoanthroxazines with contrasting dual mechanisms of action against topoisomerase II and G-quadruplexes. Abstract: Topoisomerase inhibitors are important and clinically effective drugs, while G-quadruplex-interactive compounds that disrupt telomere maintenance mechanisms have yet to be proven useful in the clinic. If G-quadruplex-interactive compounds are to be clinically useful, it will most likely be in combination with... aid8426.table aid8426.tbin
8427 4 Title: Design, synthesis, and evaluation of psorospermin/quinobenzoxazine hybrids as structurally novel antitumor agents. Abstract: Topoisomerase II, an enzyme that catalyzes changes in the topology of DNA, plays several key roles in DNA metabolism and chromosome structure, and it is the primary cytotoxic target for a number of clinically important DNA intercalating agents such as doxorubicin. It seems likely that if these intercalating topoisomerase II poisons are structurally modified to also ... aid8427.table aid8427.tbin
8428 4 Title: Design, synthesis, and evaluation of psorospermin/quinobenzoxazine hybrids as structurally novel antitumor agents. Abstract: Topoisomerase II, an enzyme that catalyzes changes in the topology of DNA, plays several key roles in DNA metabolism and chromosome structure, and it is the primary cytotoxic target for a number of clinically important DNA intercalating agents such as doxorubicin. It seems likely that if these intercalating topoisomerase II poisons are structurally modified to also ... aid8428.table aid8428.tbin
8429 2 Title: Cyclopent[a]anthraquinones as DNA intercalating agents with covalent bond formation potential: synthesis and biological activity. Abstract: A series of mitomycin C (MMC) analogues, namely cyclopentanthraquinone derivatives, were synthesized via Diels-Alder cyclization of naphthoquinone with 1-vinylcyclopent-1-enes. These new compounds are planar structures, like MMC, and bear an aziridine ring and a methyl carbamate side chain. After bioreduction, they are anticipated to be capable of int... aid8429.table aid8429.tbin
8430 2 Title: Cyclopent[a]anthraquinones as DNA intercalating agents with covalent bond formation potential: synthesis and biological activity. Abstract: A series of mitomycin C (MMC) analogues, namely cyclopentanthraquinone derivatives, were synthesized via Diels-Alder cyclization of naphthoquinone with 1-vinylcyclopent-1-enes. These new compounds are planar structures, like MMC, and bear an aziridine ring and a methyl carbamate side chain. After bioreduction, they are anticipated to be capable of int... aid8430.table aid8430.tbin
8431 15 Tested in vitro for growth inhibitory activity against 833K (human teratorcarcinoma) cells aid8431.table aid8431.tbin
8432 1 The compound was tested in vitro for growth inhibitory activity against 833K (human teratorcarcinoma) cells; No data aid8432.table aid8432.tbin
8433 1 Title: The design and synthesis of sulfonamides as caspase-1 inhibitors. Abstract: A series of sulfonamides (1) has been prepared as inhibitors of interleukin-1beta converting enzyme (ICE), also known as caspase 1. These compounds were designed to improve potency by rigidifying the enzyme bound molecule through an intramolecular hydrogen bond. An X-ray crystal structure of a representative member of this series bound to the active site of ICE, confirms the presence of the hydrogen bonding intera... aid8433.table aid8433.tbin
8434 1 Title: (3-Amino-2-oxoalkyl)phosphonic acids and their analogues as novel inhibitors of D-alanine:D-alanine ligase. Abstract: The dipeptide D-alanyl-D-alanine is an essential precursor of bacterial peptidoglycan; thus, blocking its formation is a possible target for the design of novel antibacterial agents. The synthesis of this dipeptide by bacterial D-alanine:D-alanine ligase requires ATP. In analogy with glutamine synthetase, we hypothesized a mechanism for this enzyme involving the intermedia... aid8434.table aid8434.tbin
8435 12 Title: Pyrazolo[3,4-d]pyrimidines endowed with antiproliferative activity on ductal infiltrating carcinoma cells. Abstract: Novel 1,4,6-trisubstituted pyrazolo[3,4-d]pyrimidines are reported with preliminary in vitro activity data indicating that several of them are potent inhibitors (better than the reference compound) of Src phosphorylation of the breast cancer cells 8701-BC, known to overexpress Src. The ability of such compounds to significantly reduce 8701-BC cell proliferation suggests tha... aid8435.table aid8435.tbin
8436 5 Title: Pyrazolo[3,4-d]pyrimidines endowed with antiproliferative activity on ductal infiltrating carcinoma cells. Abstract: Novel 1,4,6-trisubstituted pyrazolo[3,4-d]pyrimidines are reported with preliminary in vitro activity data indicating that several of them are potent inhibitors (better than the reference compound) of Src phosphorylation of the breast cancer cells 8701-BC, known to overexpress Src. The ability of such compounds to significantly reduce 8701-BC cell proliferation suggests tha... aid8436.table aid8436.tbin
8437 3 In vitro anticancer activity against 9 NCI colon cancer cell lines; inactive aid8437.table aid8437.tbin
8438 3 In vitro anticancer activity against 9 NCI melanoma cell lines; inactive aid8438.table aid8438.tbin
8439 3 In vitro anticancer activity against 9 NCI renal cancer cell lines; inactive aid8439.table aid8439.tbin
8440 5 Title: A new lead compound for abscisic acid biosynthesis inhibitors targeting 9-cis-epoxycarotenoid dioxygenase. Abstract: 9-cis-Epoxycarotenoid dioxygenase (NCED), a key enzyme in abscisic acid (ABA) biosynthesis, cleaves the olefinic double bond of 9-cis-epoxycarotenoid. Several analogues of nordihydroguaiaretic acid (NDGA) were designed and synthesized, and their efficacy as inhibitors of NCED was examined. One of the synthesized compounds (20) was found to be an inhibitor of this enzyme, an... aid8440.table aid8440.tbin
8441 54 Title: Novel erythromycin derivatives with aryl groups tethered to the C-6 position are potent protein synthesis inhibitors and active against multidrug-resistant respiratory pathogens. Abstract: A novel series of erythromycin derivatives has been discovered with potent activity against key respiratory pathogens, including those resistant to erythromycin. These compounds are characterized by having an aryl group tethered to the C-6 position of the erythronolide skeleton. Extensive structural mod... aid8441.table aid8441.tbin
8442 3 Title: Novel erythromycin derivatives with aryl groups tethered to the C-6 position are potent protein synthesis inhibitors and active against multidrug-resistant respiratory pathogens. Abstract: A novel series of erythromycin derivatives has been discovered with potent activity against key respiratory pathogens, including those resistant to erythromycin. These compounds are characterized by having an aryl group tethered to the C-6 position of the erythronolide skeleton. Extensive structural mod... aid8442.table aid8442.tbin
8443 1 Title: Inhibition of Cdc25 phosphatases by indolyldihydroxyquinones. Abstract: Overexpression of the Cdc25A and Cdc25B dual-specificity phosphatases correlates with a wide variety of cancers, making the Cdc25s attractive drug targets for anticancer therapies. However, the search for good lead molecules has been hampered by the reactivity of the active site thiolate anion and the flat solvent-exposed active site region. We describe here the indolyldihydroxyquinones, a new class of inhibitors of C... aid8443.table aid8443.tbin
8444 1 Title: Synthesis of 8-methoxy-15,16-dinor-6,8,10-trichothecatriene 12,13 alpha-epoxide and 12,13 beta-epoxide as potential antineoplastic agents. Abstract: 8-Methoxy-15,16-dinor-6,8,10-trichothecatriene 12,13 alpha-epoxide (5) and 12,13 beta-epoxide (3) were prepared; the stereochemistry of the epoxides was assigned on the basis of 13C NMR. The epoxide 5 was active against 9KB in vitro and P388 in vivo, while the isomeric epoxide 3 was inactive in both test systems. aid8444.table aid8444.tbin
8445 1 Title: Synthesis of 8-methoxy-15,16-dinor-6,8,10-trichothecatriene 12,13 alpha-epoxide and 12,13 beta-epoxide as potential antineoplastic agents. Abstract: 8-Methoxy-15,16-dinor-6,8,10-trichothecatriene 12,13 alpha-epoxide (5) and 12,13 beta-epoxide (3) were prepared; the stereochemistry of the epoxides was assigned on the basis of 13C NMR. The epoxide 5 was active against 9KB in vitro and P388 in vivo, while the isomeric epoxide 3 was inactive in both test systems. aid8445.table aid8445.tbin
8446 10 Title: Plant antitumor agents. 18. Synthesis and biological activity of camptothecin analogues. Abstract: Four analogues, 10-methoxy (20), 12-aza (29), benz[j] (36), and 18-methoxy (38), of camptothecin were obtained by total synthesis. The two water-soluble analogues, 10-[(carboxymethyl)oxy]- (24) and 10-[2'-(diethylamino)-ethoxy]-20(S)-camptothecin (26), with intact ring E were prepared from natural 10 hydroxycamptothecin (3). In general, there was a good correlation between in vitro 9KB cytot... aid8446.table aid8446.tbin
8447 4 Title: Synthesis and biological properties of 5-o-carboranyl-1-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)uracil. Abstract: A novel 5-o-carboranyl-containing nucleoside, 5-o-carboranyl-1-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)uracil (6, CFAU), was synthesized as a potential intracellular neutron capture agent. This compound was prepared in five steps starting from 5-iodo-1-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)uracil (1). The desired carboranyl derivative was obtained by addition of decabo... aid8447.table aid8447.tbin
8448 6 Title: Synthesis and biological evaluation of 2',3'-didehydro-2',3'- dideoxy-5-fluorocytidine (D4FC) analogues: discovery of carbocyclic nucleoside triphosphates with potent inhibitory activity against HIV-1 reverse transcriptase. Abstract: The discovery of a novel cytosine nucleoside, beta-D-2', 3'-didehydro-2',3'-dideoxy-5-fluorocytidine (D-D4FC), as a potent antihuman immunodeficiency virus (HIV) agent led us to synthesize a series of analogues and derivatives of beta-D-D4FC that could be mor... aid8448.table aid8448.tbin
8449 11 Title: Synthesis and biological evaluation of 2',3'-didehydro-2',3'- dideoxy-5-fluorocytidine (D4FC) analogues: discovery of carbocyclic nucleoside triphosphates with potent inhibitory activity against HIV-1 reverse transcriptase. Abstract: The discovery of a novel cytosine nucleoside, beta-D-2', 3'-didehydro-2',3'-dideoxy-5-fluorocytidine (D-D4FC), as a potent antihuman immunodeficiency virus (HIV) agent led us to synthesize a series of analogues and derivatives of beta-D-D4FC that could be mor... aid8449.table aid8449.tbin
8450 5 Title: (2-amino-phenyl)-amides of omega-substituted alkanoic acids as new histone deacetylase inhibitors. Abstract: A variety of omega-substituted alkanoic acid (2-amino-phenyl)-amides were designed and synthesized. These compounds were shown to inhibit recombinant human histone deacetylases (HDACs) with IC(50) values in the low micromolar range and induce hyperacetylation of histones in whole cells. They induced expression of p21WAF1/Cip1 and caused cell-cycle arrest in human cancer cells. Comp... aid8450.table aid8450.tbin
8451 11 Title: Shikonin derivatives: synthesis and inhibition of human telomerase. Abstract: We synthesized DL-shikonin, shikonin, alkanin, and their cyclo-derivatives and acyl-derivatives. These compounds have low cytotoxicity, as well as inhibitory activity against the telomerase enzyme, except cyclo-derivatives. aid8451.table aid8451.tbin
8452 2 Title: Shikonin derivatives: synthesis and inhibition of human telomerase. Abstract: We synthesized DL-shikonin, shikonin, alkanin, and their cyclo-derivatives and acyl-derivatives. These compounds have low cytotoxicity, as well as inhibitory activity against the telomerase enzyme, except cyclo-derivatives. aid8452.table aid8452.tbin
8453 4 Title: Shikonin derivatives: synthesis and inhibition of human telomerase. Abstract: We synthesized DL-shikonin, shikonin, alkanin, and their cyclo-derivatives and acyl-derivatives. These compounds have low cytotoxicity, as well as inhibitory activity against the telomerase enzyme, except cyclo-derivatives. aid8453.table aid8453.tbin
8454 19 Title: Antitumor activity of 9(R)-dihydrotaxane analogs. Abstract: A novel reduced taxane, 13-acetyl-9(R)-dihydrobaccatin III (1) has been isolated from Taxus canadensis. The selective C-13 deacetylation of this isolate has allowed for the preparation of a wide variety of 9(R)-dihydrotaxane analogs. In general, this series has shown greater stability and water solubility than the 9-carbonyl series while retaining antimicrotubule and tumor cell cytotoxicity activities relative to taxol. Placement... aid8454.table aid8454.tbin
8455 22 Title: Novel N-arylpyrazolo[3,2-c]-based ligands for the glucocorticoid receptor: receptor binding and in vivo activity. Abstract: A novel series of selective ligands for the human glucocorticoid receptor (hGR) are described. Preliminary structure-activity relationships were focused on substitution at C-1 and indicated a preference for 3-, 4-, and 5-substituted aromatic and benzylic groups. The resulting analogues, e.g., 18 and 34, exhibited excellent affinity for hGR (IC(50) 1.9 nM and 2.8 nM, ... aid8455.table aid8455.tbin
8456 2 Title: Novel N-arylpyrazolo[3,2-c]-based ligands for the glucocorticoid receptor: receptor binding and in vivo activity. Abstract: A novel series of selective ligands for the human glucocorticoid receptor (hGR) are described. Preliminary structure-activity relationships were focused on substitution at C-1 and indicated a preference for 3-, 4-, and 5-substituted aromatic and benzylic groups. The resulting analogues, e.g., 18 and 34, exhibited excellent affinity for hGR (IC(50) 1.9 nM and 2.8 nM, ... aid8456.table aid8456.tbin
8457 1 Title: Antitumor agents. 185. Synthesis and biological evaluation of tridemethylthiocolchicine analogues as novel topoisomerase II inhibitors. Abstract: Several 1,2,3-tridemethyldeacetylthiocolchicine derivatives have been synthesized and evaluated for cytotoxic activity against various human tumor cell lines and for their inhibitory effects on DNA topoisomerases in vitro. Exhaustive demethylation of thiocolchicine analogues completely changes their biological profiles. Instead of displaying ant... aid8457.table aid8457.tbin
8458 9 Title: Antitumor agents. 185. Synthesis and biological evaluation of tridemethylthiocolchicine analogues as novel topoisomerase II inhibitors. Abstract: Several 1,2,3-tridemethyldeacetylthiocolchicine derivatives have been synthesized and evaluated for cytotoxic activity against various human tumor cell lines and for their inhibitory effects on DNA topoisomerases in vitro. Exhaustive demethylation of thiocolchicine analogues completely changes their biological profiles. Instead of displaying ant... aid8458.table aid8458.tbin
8459 18 Title: Prodrugs of 4'-demethyl-4-deoxypodophyllotoxin: synthesis and evaluation of the antitumor activity. Abstract: A series of prodrugs of 4'-demethyl-4-deoxypodophyllotoxin (DDPT) including carbamates (3-8), a carbonate (9) and water-soluble amino acid derivatives (10-17) were prepared and tested for their antitumor activity. The carbamate 6 (2-hydroxyethylcarbamoyl-DDPT), carbonate 9 (2-chloroethyloxycarbonyl-DDPT), and most of amino acid prodrugs (12-17) showed enhanced antitumor activity. aid8459.table aid8459.tbin
8460 12 Title: Synthesis and cytotoxicity of 3,4-diaryl-2(5H)-furanones. Abstract: A series of 3,4-diaryl-2(5H)-furanone derivatives were synthesized and evaluated for their cytotoxicity in a small panel of cancer cell lines. Four out of 10 compounds in this series, for example 3-(3,4,5-trimethoxyphenyl)-4-(4-methoxyphenyl)-, 3-(3,4,5-trimethoxyphenyl)-4-(3-hydroxy-4-methoxyphenyl)-, 3-(3,4,5-trimethoxyphenyl)-4-(3-amino-4-methoxyphenyl)-, and 3-(3,4,5-trimethoxyphenyl)-4-(2-naphthyl)-2(5H)-furanones, w... aid8460.table aid8460.tbin
8461 16 Title: Antitumor agents. 139. Synthesis and biological evaluation of thiocolchicine analogs 5,6-dihydro-6(S)-(acyloxy)- and 5,6-dihydro-6(S)-[(aroyloxy)methyl]-1,2,3-trimethoxy-9-(methylthio)-8H- cyclohepta[a]naphthalen-8-ones as novel cytotoxic and antimitotic agents. Abstract: A series of novel thiocolchicine analogs, 5,6-dihydro-6(S)-(acyloxy)-and 5,6-dihydro-6(S)-[(aroyloxy)-methyl]-1,2,3-trimethoxy-9-(methylthi o)-8H- cyclohepta[a]naphthalen-8-ones, possessing a six-membered ring B, have be... aid8461.table aid8461.tbin
8462 8 Title: Longimicins A-D: novel bioactive acetogenins from Asimina longifolia (annonaceae) and structure-activity relationships of asimicin type of annonaceous acetogenins. Abstract: Bioactivity-directed fractionation of the ethanol extract of Asimina longifolia led to the isolation of four novel bioactive annonaceous acetogenins: longimicins A-D (1-4). Compounds 1-4 represent the asimicin type of acetogenins; however, the locations of the adjacent bis-tetrahydrofuran (THF) ring moieties are shift... aid8462.table aid8462.tbin
8463 21 Title: Antitumor activity of unsaturated fatty acid esters of 4'-demethyldeoxypodophyllotoxin. Abstract: Unsaturated fatty acid esters of 4'-demethyldeoxypodophyllotoxin (DDPT) were prepared and tested for antitumor activity. The esters showed increased in vivo antitumor activity despite the lower in vitro activity than DDPT. Especially, the ester (DFE12) of all-cis-11,14-eicosadienoic acid was much better (IR, 83%) than VP-16 (IR, 60%) without loss of body weight. Unsaturated fatty acids could ... aid8463.table aid8463.tbin
8464 7 Title: Selectively cytotoxic diterpenes from Euphorbia poisonii. Abstract: Bioactivity-guided fractionation of the latex of Euphorbia poisonii Pax. (Euphorbiaceae) led to the isolation and characterization of a new tigliane diterpene, 12-deoxyphorbol 13-(9,10-methylene)undecanoate (3), together with five known diterpenes (1,2,4-6). When evaluated for cytotoxicity in a panel of six human solid tumor cell lines, the diterpene esters, 1-3, 5, and 6, were selectively cytotoxic for the human kidney c... aid8464.table aid8464.tbin
8465 15 Title: Antitumor agents. 166. Synthesis and biological evaluation of 5,6,7,8-substituted-2-phenylthiochromen-4-ones. Abstract: As a continuation of our structure--activity relationship study of substituted 2-phenyl-4-quinolones and flavonoids as antitumor and antiviral agents, a series of 5,6,7,8-substituted-2-phenylthiochromen-4-ones has been synthesized by condensation of substituted thiophenols and ethyl benzoylacetates. Target compounds were evaluated for biological activity. Among them, com... aid8465.table aid8465.tbin
8466 2 Title: Antitumor agents. Part 232: Synthesis of cyclosulfite podophyllotoxin analogues as novel prototype antitumor agents. Abstract: An 11,13-O,O'-cyclosulfite GL-331 analogue (7) was synthesized in six steps from podophyllotoxin and evaluated as a potential antitumor agent. Compound 7 was significantly cytotoxic against human tumor cell lines, but showed no inhibition against human DNA topoisomerase II in vitro. This compound represents a novel prototype of antitumor podophyllotoxin analogues.... aid8466.table aid8466.tbin
8467 26 Title: Antitumor agents 201. Cytotoxicity of harmine and beta-carboline analogs. Abstract: Twenty-six beta-carbolines were evaluated for in vitro cytotoxicity in a human tumor cell line panel. Harmine (3) showed significant activity against several cell lines including three drug-resistant KB sublines with various resistance mechanisms. Alpha-(4-nitrobenzylidine) harmine (16) had a broad cytotoxicity spectrum (ED50 values from 0.3-1.2 microg/mL against 1A9, KB, SaOS-2, A549, SK-MEL-2, U-87-MG, a... aid8467.table aid8467.tbin
8468 6 Title: Antitumor agents. Part 226: synthesis and cytotoxicity of 2-phenyl-4-quinolone acetic acids and their esters. Abstract: 2-Phenyl-4-quinolone acetic acids and their esters were synthesized and evaluated for interaction with tubulin and for cytotoxicity against a panel of human tumor cell lines. 2-Phenyl- and 2-(2'-fluorophenyl)-4-quinolone-8-acetic acids (11 and 12) displayed potent cytotoxicity with ED(50) values at nanomolar concentrations, but had minimal activity against tubulin polyme... aid8468.table aid8468.tbin
8469 1 Title: Antitumor agents. Part 226: synthesis and cytotoxicity of 2-phenyl-4-quinolone acetic acids and their esters. Abstract: 2-Phenyl-4-quinolone acetic acids and their esters were synthesized and evaluated for interaction with tubulin and for cytotoxicity against a panel of human tumor cell lines. 2-Phenyl- and 2-(2'-fluorophenyl)-4-quinolone-8-acetic acids (11 and 12) displayed potent cytotoxicity with ED(50) values at nanomolar concentrations, but had minimal activity against tubulin polyme... aid8469.table aid8469.tbin
8470 14 Title: (E) -6-(1-alkyloxyiminoalkyl)-5,8-dimethoxy-1,4-naphthoquinones: synthesis, cytotoxic activity and antitumor activity. Abstract: All of 13 (E)-6-(1-alkyloxyiminomethyl)-5,8-dimethoxy-1,4-naphthoquinone derivatives synthesized showed high ED50 values, ranging from 0.1 to 0.3 microg/mL against L1210 cells. However, they were inactive on A549 cells. Nine compounds exhibited higher T/C (%) values (318-388%) than Adriamycin (T/C, 315%). aid8470.table aid8470.tbin
8471 11 Title: Antitumor agents. 194. Synthesis and biological evaluations of 4-beta-mono-, -di-, and -trisubstituted aniline-4'-O-demethyl-podophyllotoxin and related compounds with improved pharmacological profiles. Abstract: As a continuation of our structure-activity relationship studies, several new 4-beta-substituted 4'-O-demethyl-4-desoxypodophyllotoxins bearing mono-, di-, or trisubstituted anilines have been synthesized and evaluated as inhibitors of DNA topoisomerase II and tumor cell growth i... aid8471.table aid8471.tbin
8472 6 Title: Synthesis of (+)-Lasonolide A: (-)-lasonolide A is the biologically active enantiomer. Abstract: (+)-Lasonolide A was synthesized following the established procedure. (-)-Lasonolide A was found to be the biologically active enantiomer. aid8472.table aid8472.tbin
8473 4 Title: 6-substituted 2,4-diamino-5-methylpyrido[2,3-d]pyrimidines as inhibitors of dihydrofolate reductases from Pneumocystis carinii and Toxoplasma gondii and as antitumor agents. Abstract: The synthesis and biological activity of 15 6-substituted 2,4-diamino-5-methylpyrido[2,3-d]-pyrimidines are reported. These compounds were synthesized in improved yields by modifications of procedures previously reported by us. Specifically, dimethoxyphenyl-substituted compounds with H and CH3 at the N-10 po... aid8473.table aid8473.tbin
8474 5 Title: Synthesis and evaluation of lasonolide A analogues. Abstract: Homolasonolide A and 10-desmethyllasonolide A are biologically less active than lasonolide A. The ethyl ester analogue of lasonolide A exhibited higher activity than the parent compound in some biological test. aid8474.table aid8474.tbin
8475 9 Title: Design, synthesis, and biological evaluation of indolequinone phosphoramidate prodrugs targeted to DT-diaphorase. Abstract: A series of 2- and 3-substituted indolequinone phosphoramidate prodrugs targeted to DT-diaphorase (DTD) have been synthesized and evaluated. These compounds are designed to undergo activation via quinone reduction by DTD followed by expulsion of the phosphoramide mustard substituent from the hydroquinone. Chemical reduction of the phosphoramidate prodrugs led to rapi... aid8475.table aid8475.tbin
8476 1 Title: A novel class of highly potent, selective, and non-peptidic inhibitor of Ras farnesyltransferase (FTase). Abstract: Design, synthesis and structure-activity relationship of a class of aryl pyrroles as farnesyltransferase inhibitors are described. In vitro and in vivo evaluation of a panel of these inhibitors led to identification of 2 (LB42908) as a highly potent (IC(50)=0.9 nM against H-Ras and 2.4 nM against K-Ras) antitumor agent that is currently undergoing preclinical studies. aid8476.table aid8476.tbin
8477 6 Title: Synthesis and growth inhibitory properties of glycosides of 1-O-hexadecyl-2-O-methyl-sn-glycerol, analogs of the antitumor ether lipid ET-18-OCH3 (edelfosine). Abstract: Glycosylated antitumor ether lipids (GAELs), analogs of 1-O-octadecyl-2-O-methyl-sn-glycero-3-phosphocholine (1, ET-18-OCH3, edelfosine), were synthesized in good overall yields by glycosylation of 1-O-alkyl-2-O-methyl-sn-glycerol and tested for in vitro antineoplastic activity against a variety of murine and human tumor ... aid8477.table aid8477.tbin
8478 22 Title: Bioreductive activation of a series of indolequinones by human DT-diaphorase: structure-activity relationships. Abstract: A series of indolequinones including derivatives of EO9 bearing various functional groups and related indole-2-carboxamides have been studied with a view to identifying molecular features which confer substrate specificity for purified human NAD(P)H:quinone oxidoreductase (DT-diaphorase), bioreductive activation to DNA-damaging species, and selectivity for DT-diaphoras... aid8478.table aid8478.tbin
8479 1 Title: 6- and 7-substituted 2-[2'-(dimethylamino)ethyl]-1,2-dihydro-3H-dibenz[de,h] isoquinoline-1,3-diones: synthesis, nucleophilic displacements, antitumor activity, and quantitative structure-activity relationships. Abstract: New 2-[2'-(dimethylamino)ethyl]-3H-dibenz[de,h]isoquinoline-1,3-diones with substituents at the 6- and 7-positions were prepared. Nucleophilic aromatic displacement was a key reaction in the syntheses. Ten of the new compounds were more potent than the unsubstituted comp... aid8479.table aid8479.tbin
8480 17 Title: 6-Arylamino-7-chloro-quinazoline-5,8-diones as novel cytotoxic and DNA topoisomerase inhibitory agents. Abstract: A series of 6-arylamino-7-chloro-quinazoline-5,8-diones were prepared and evaluated for their in vitro cytotoxicity in cultured human cancer cell lines A549 (lung cancer), Col2 (colon cancer), and SNU-638 (stomach cancer). The preliminary structure-activity relationship has been described for providing further development of potent antitumor agents. To further investigate the ... aid8480.table aid8480.tbin
8481 11 In vitro antitumor activity against A549 (lung) human tumor cell lines. aid8481.table aid8481.tbin
8482 23 In vitro cytotoxic activity against human lung carcinoma A549 cell line aid8482.table aid8482.tbin
8483 1 Title: 6- and 7-substituted 2-[2'-(dimethylamino)ethyl]-1,2-dihydro-3H-dibenz[de,h] isoquinoline-1,3-diones: synthesis, nucleophilic displacements, antitumor activity, and quantitative structure-activity relationships. Abstract: New 2-[2'-(dimethylamino)ethyl]-3H-dibenz[de,h]isoquinoline-1,3-diones with substituents at the 6- and 7-positions were prepared. Nucleophilic aromatic displacement was a key reaction in the syntheses. Ten of the new compounds were more potent than the unsubstituted comp... aid8483.table aid8483.tbin
8484 1 Title: 6- and 7-substituted 2-[2'-(dimethylamino)ethyl]-1,2-dihydro-3H-dibenz[de,h] isoquinoline-1,3-diones: synthesis, nucleophilic displacements, antitumor activity, and quantitative structure-activity relationships. Abstract: New 2-[2'-(dimethylamino)ethyl]-3H-dibenz[de,h]isoquinoline-1,3-diones with substituents at the 6- and 7-positions were prepared. Nucleophilic aromatic displacement was a key reaction in the syntheses. Ten of the new compounds were more potent than the unsubstituted comp... aid8484.table aid8484.tbin
8485 12 Title: 6- and 7-substituted 2-[2'-(dimethylamino)ethyl]-1,2-dihydro-3H-dibenz[de,h] isoquinoline-1,3-diones: synthesis, nucleophilic displacements, antitumor activity, and quantitative structure-activity relationships. Abstract: New 2-[2'-(dimethylamino)ethyl]-3H-dibenz[de,h]isoquinoline-1,3-diones with substituents at the 6- and 7-positions were prepared. Nucleophilic aromatic displacement was a key reaction in the syntheses. Ten of the new compounds were more potent than the unsubstituted comp... aid8485.table aid8485.tbin
8486 6 Compound was tested for cytotoxicity on A549 lung adenocarcinoma cell line using a proliferation assay (MTT reduction) aid8486.table aid8486.tbin
8487 1 Compound was tested for cytotoxicity on A549 lung adenocarcinoma cell line using a proliferation assay (MTT reduction). aid8487.table aid8487.tbin
8488 2 Title: Combretoxazolones: synthesis, cytotoxicity and antitumor activity. Abstract: Two series of combretoxazolones including 3,4-diaryloxazolones (6) and 4,5-diaryloxazolones (7) were synthesized and evaluated for cytotoxicity and antitumor activity. Both series showed strong cytotoxicities against a variety of tumor cell lines. Compound 6g exhibited a significant antitumor activity in BDF1 mice bearing B16 murine melanoma cells with inhibition rates of 67 and 61% at 100 and 30 mg/kg/day, respe... aid8488.table aid8488.tbin
8489 6 Title: Benzobicyclooctanes as novel inhibitors of TNF-alpha signaling. Abstract: A novel series of TNF-alpha inhibitors based on a benzobicyclooctane scaffold is reported. The compounds display good potency in inhibiting TNF-alpha induced apoptosis and NF kappa B activation. Additionally, they are selective for TNF-alpha as they do not inhibit apoptosis induced by soluble Fas ligand. The compounds described here can act as leads for future medicinal chemistry efforts and may also be useful tools... aid8489.table aid8489.tbin
8490 3 Title: Benzobicyclooctanes as novel inhibitors of TNF-alpha signaling. Abstract: A novel series of TNF-alpha inhibitors based on a benzobicyclooctane scaffold is reported. The compounds display good potency in inhibiting TNF-alpha induced apoptosis and NF kappa B activation. Additionally, they are selective for TNF-alpha as they do not inhibit apoptosis induced by soluble Fas ligand. The compounds described here can act as leads for future medicinal chemistry efforts and may also be useful tools... aid8490.table aid8490.tbin
8491 1 Title: Benzobicyclooctanes as novel inhibitors of TNF-alpha signaling. Abstract: A novel series of TNF-alpha inhibitors based on a benzobicyclooctane scaffold is reported. The compounds display good potency in inhibiting TNF-alpha induced apoptosis and NF kappa B activation. Additionally, they are selective for TNF-alpha as they do not inhibit apoptosis induced by soluble Fas ligand. The compounds described here can act as leads for future medicinal chemistry efforts and may also be useful tools... aid8491.table aid8491.tbin
8492 2 Title: Benzobicyclooctanes as novel inhibitors of TNF-alpha signaling. Abstract: A novel series of TNF-alpha inhibitors based on a benzobicyclooctane scaffold is reported. The compounds display good potency in inhibiting TNF-alpha induced apoptosis and NF kappa B activation. Additionally, they are selective for TNF-alpha as they do not inhibit apoptosis induced by soluble Fas ligand. The compounds described here can act as leads for future medicinal chemistry efforts and may also be useful tools... aid8492.table aid8492.tbin
8493 7 Title: 1,4-disubstituted anthracene antitumor agents. Abstract: Three different types of 1,4-disubstituted anthracenes were synthesized, and their cytotoxicity in a panel of tumor cells was compared with that of the corresponding 9,10-disubstituted anthracenes. The panel contained human myeloma, melanoma, colon, and lung cancer cells and sensitive and multidrug-resistant murine L1210 leukemia cells. These compounds had [[(dimethylamino)ethyl]amino]methyl, N-[(dimethylamino)ethyl]carbamoyl, and c... aid8493.table aid8493.tbin
8494 1 Title: 1,4-disubstituted anthracene antitumor agents. Abstract: Three different types of 1,4-disubstituted anthracenes were synthesized, and their cytotoxicity in a panel of tumor cells was compared with that of the corresponding 9,10-disubstituted anthracenes. The panel contained human myeloma, melanoma, colon, and lung cancer cells and sensitive and multidrug-resistant murine L1210 leukemia cells. These compounds had [[(dimethylamino)ethyl]amino]methyl, N-[(dimethylamino)ethyl]carbamoyl, and c... aid8494.table aid8494.tbin
8495 3 Title: Synthesis and antiparasitic and antitumor activity of 2, 4-diamino-6-(arylmethyl)-5,6,7,8-tetrahydroquinazoline analogues of piritrexim. Abstract: Nineteen previously undescribed 2,4-diamino-6-(arylmethyl)-5,6,7, 8-tetrahydroquinazolines (5a-m, 10-12) were synthesized as part of a larger effort to assess the therapeutic potential of lipophilic dihydrofolate reductase (DHFR) inhibitors against opportunistic infections of AIDS. Condensation of appropriately substituted (arylmethyl)triphenyl... aid8495.table aid8495.tbin
8496 28 Title: Syntheses and structure-activity relationships of taxoids derived from 14 beta-hydroxy-10-deacetylbaccatin III. Abstract: A series of new taxoids derived from 14 beta-hydroxy-10-deacetylbaccatin III was synthesized by means of the beta-lactam synthon method. Most of the new taxoids thus synthesized possess excellent cytotoxicity against human ovarian (A121), non-small-cell lung (A549), colon (HT-29), and breast (MCF-7) cancer cell lines, and several of these taxoids show subnanomolar IC50... aid8496.table aid8496.tbin
8497 1 Title: 6- and 7-substituted 2-[2'-(dimethylamino)ethyl]-1,2-dihydro-3H-dibenz[de,h] isoquinoline-1,3-diones: synthesis, nucleophilic displacements, antitumor activity, and quantitative structure-activity relationships. Abstract: New 2-[2'-(dimethylamino)ethyl]-3H-dibenz[de,h]isoquinoline-1,3-diones with substituents at the 6- and 7-positions were prepared. Nucleophilic aromatic displacement was a key reaction in the syntheses. Ten of the new compounds were more potent than the unsubstituted comp... aid8497.table aid8497.tbin
8498 3 Title: Preparation of 9-deoxo-4&quot;-deoxy-6,9-epoxyerythromycin lactams &quot;motilactides&quot;: potent and orally active prokinetic agents. Abstract: A series of new, highly potent and orally active &quot;motilactides&quot;, 9-deoxo-4&quot;-deoxy-6,9-epoxyerythromycin lactams was designed, synthesized, and evaluated for their gastrointestinal motor stimulating activity. These compounds were acid stable and showed good oral efficacy. aid8498.table aid8498.tbin
8499 1 Title: L-374,087, an efficacious, orally bioavailable, pyridinone acetamide thrombin inhibitor. Abstract: Replacement of the amidinopiperidine P1 group of 3-benzylsulfonylamino-6-methyl-2-pyridinone acetamide thrombin inhibitor L-373,890 (2) with a mildly basic 5-linked 2-amino-6-methylpyridine results in an equipotent compound L-374,087 (5, Ki = 0.5 nM). Compound 5 is highly selective for thrombin over trypsin, is efficacious in the rat ferric chloride model of arterial thrombosis and is orally... aid8499.table aid8499.tbin
8500 1 Title: Discovery of LB30057, a benzamidrazone-based selective oral thrombin inhibitor. Abstract: Systematic variation of the so-called P-pocket moiety of benzamidrazone-based selective thrombin inhibitors led to the discovery of LB30057. It is potent (Ki = 0.38 nM for human thrombin), selective (Ki = 3290 nM for bovine trypsin), and orally bioavailable (58% oral bioavailability in dogs). LB30057 was efficacious in thrombosis animal models. aid8500.table aid8500.tbin
8501 1 Title: 1,2,4-triazolo[3,4-a]pyridine as a novel, constrained template for fibrinogen receptor (GPIIb/IIIa) antagonists. Abstract: Conformationally constrained analogues of the GPIIb/IIIa antagonist elarofiban (RWJ-53308) have been synthesized and biologically evaluated. The 1,2,4-triazolo[3,4-a]pyridine scaffold provided potent antagonists with favorable pharmacodynamic and pharmacokinetic attributes in dogs. Compounds 12a and 13a exhibited enhancements in oral bioavailability, t(1/2), and ex vi... aid8501.table aid8501.tbin
8502 1 Oral bioavailability in dog aid8502.table aid8502.tbin
8503 1 Title: The discovery of SB-435495. A potent, orally active inhibitor of lipoprotein-associated phospholipase A(2) for evaluation in man. Abstract: The introduction of a functionalised amido substituent into a series of 1-(biphenylmethylacetamido)-pyrimidones has given a series of inhibitors of recombinant lipoprotein-associated phospholipase A(2) with sub-nanomolar potency and very encouraging developability properties. Diethylaminoethyl derivative 32, SB-435495, was selected for progression to ... aid8503.table aid8503.tbin
8504 2 Title: Novel, potent non-covalent thrombin inhibitors incorporating p(3)-lactam scaffolds. Abstract: Evolution of P(1)-argininal inhibitor prototypes led to a series of non-covalent P(3)-7-membered lactam inhibitors 1a-w, featuring novel peptidomimetic units that probe each of the S(1), S(2), and S(3) specificity pockets of thrombin. Rigid P(1)-arginine surrogates possessing a wide range of basicity (calcd pK(a)'s approximately neutral-14) were surveyed. The design, synthesis, and biological act... aid8504.table aid8504.tbin
8505 1 Title: N-(cycloalkylamino)acyl-2-aminothiazole inhibitors of cyclin-dependent kinase 2. N-[5-[[[5-(1,1-dimethylethyl)-2-oxazolyl]methyl]thio]-2-thiazolyl]-4- piperidinecarboxamide (BMS-387032), a highly efficacious and selective antitumor agent. Abstract: N-Acyl-2-aminothiazoles with nonaromatic acyl side chains containing a basic amine were found to be potent, selective inhibitors of CDK2/cycE which exhibit antitumor activity in mice. In particular, compound 21 [N-[5-[[[5-(1,1-dimethylethyl)-2-... aid8505.table aid8505.tbin
8506 1 Title: Pyran-containing sulfonamide hydroxamic acids: potent MMP inhibitors that spare MMP-1. Abstract: The SAR of a series of sterically hindered sulfonamide hydroxamic acids with relatively large P1' groups is described. The compounds typically spare MMP-1 while being potent inhibitors of MMP-13. The metabolically more stable compounds in the series contain either a monocyclic or bicyclic pyran ring adjacent to the hydroxamate group. Despite the sparing of MMP-1, pre-clinical and clinical stud... aid8506.table aid8506.tbin
8507 4 Oral bioavailability in dog aid8507.table aid8507.tbin
8508 1 Title: Selective alpha1a adrenergic receptor antagonists based on 4-aryl-3,4-dihydropyridine-2-ones. Abstract: A series of alpha1a receptor antagonists derived from a 4-aryl-3,4-dihydropyridine-2-one heterocycle is disclosed. Potency in the low nanomolar to picomolar range along with high selectivity was obtained. In vivo efficacy in a prostate contraction model in rats was observed with a few derivatives. aid8508.table aid8508.tbin
8509 1 Title: Amidinohydrazones as guanidine bioisosteres: application to a new class of potent, selective and orally bioavailable, non-amide-based small-molecule thrombin inhibitors. Abstract: We describe a new class of potent, non-amide-based small molecule thrombin inhibitors in which an amidinohydrazone is used as a guanidine bioisostere on a non-peptide scaffold. Compound 4 exhibits nM inhibition of thrombin, is selective for thrombin, and shows 60 and 23% bioavailability in rabbits and dogs, resp... aid8509.table aid8509.tbin
8510 1 Title: Discovery of an orally active non-peptide fibrinogen receptor antagonist. aid8510.table aid8510.tbin
8511 2 The compound was evaluated for bioavailability in dogs; 34-44 aid8511.table aid8511.tbin
8512 1 Title: Methyloxime-substituted aminopyrrolidine: a new surrogate for 7-basic group of quinolone. Abstract: Novel fluoroquinolones containing oxime functionalized aminopyrrolidines have been synthesized. They were found to possess potent antibacterial activities against both Gram-negative and Gram-positive organisms, including methicillin resistant Staphylococcus aureus (MRSA). Among these compounds, LB20277 (compound 12) showed the most favorable in vivo efficacy and pharmacokinetic profile in a... aid8512.table aid8512.tbin
8513 1 Title: Pyran-containing sulfonamide hydroxamic acids: potent MMP inhibitors that spare MMP-1. Abstract: The SAR of a series of sterically hindered sulfonamide hydroxamic acids with relatively large P1' groups is described. The compounds typically spare MMP-1 while being potent inhibitors of MMP-13. The metabolically more stable compounds in the series contain either a monocyclic or bicyclic pyran ring adjacent to the hydroxamate group. Despite the sparing of MMP-1, pre-clinical and clinical stud... aid8513.table aid8513.tbin
8514 5 Title: Synthesis, antiviral activity and pharmacokinetics of P1/P1' substituted 3-aminoindazole cyclic urea HIV protease inhibitors. Abstract: A series of P1/P1' substituted cyclic urea analogues were prepared in an attempt to increase the intra-cellular antiviral potency of the nonsymmetrical 3-aminoindazoles DMP 850 and DMP 851. The effect of alkyl substitution of the P1/P1' residues on cellular antiviral potency, protein binding, resistance profile and pharmacokinetics are described. aid8514.table aid8514.tbin
8515 2 Title: Amidinohydrazones as guanidine bioisosteres: application to a new class of potent, selective and orally bioavailable, non-amide-based small-molecule thrombin inhibitors. Abstract: We describe a new class of potent, non-amide-based small molecule thrombin inhibitors in which an amidinohydrazone is used as a guanidine bioisostere on a non-peptide scaffold. Compound 4 exhibits nM inhibition of thrombin, is selective for thrombin, and shows 60 and 23% bioavailability in rabbits and dogs, resp... aid8515.table aid8515.tbin
8516 17 Title: Discovery of a potent, selective and orally active canine COX-2 inhibitor, 2-(3-difluoromethyl-5-phenyl-pyrazol-1-yl)-5-methanesulfonyl-pyridine. Abstract: Structure-activity relationship (SAR) studies of 2-[3-di(and tri)fluoromethyl-5-arylpyrazol-1-yl]-5-methanesulfonylpyridine derivatives for canine COX enzymes are described. This led to the identification of 12a as a lead candidate for further progression. The in vitro and in vivo activity of 12a for the canine COX-2 enzyme as well as ... aid8516.table aid8516.tbin
8517 5 Title: Non-peptide alpha(v)beta(3) antagonists. Part 5: identification of potent RGD mimetics incorporating 2-aryl beta-amino acids as aspartic acid replacements. Abstract: A series of novel, highly potent alpha(v)beta(3) receptor antagonists with favorable pharmacokinetic profiles has been identified. In this series of antagonists, 2-aryl beta-amino acids function as potent aspartic acid replacements. aid8517.table aid8517.tbin
8518 3 Title: Discovery of novel 2,8-diazaspiro[4.5]decanes as orally active glycoprotein IIb-IIIa antagonists. Abstract: In our efforts to develop orally active GPIIb-IIIa antagonists with improved pharmaceutical properties, we have utilized a novel 2,8-diazaspiro[4.5]decane scaffold as a template. We describe here our investigation of a variety of templates including spiropiperidinyl-gamma-lactams, spiropiperidinylimide, spiropiperidinylureas, and spiropiperidinylhydantoins. With the appropriate acid... aid8518.table aid8518.tbin
8519 2 Title: C6 modification of the pyridinone core of thrombin inhibitor L-374,087 as a means of enhancing its oral absorption. Abstract: 1 (L-374,087) is a potent, selective, efficacious, and orally bioavailable thrombin inhibitor that contains a core 3-amino-2-pyridinone moiety. Replacement of the C6 pyridinone methyl group of 1 by a propyl group gave 5 (L-375,052), which retained all the excellent properties of 1, and also yielded higher plasma levels after oral dosing in dogs and rats. aid8519.table aid8519.tbin
8520 2 Title: Design and synthesis of 1,5-diarylbenzimidazoles as inhibitors of the VEGF-receptor KDR. Abstract: 1,5-Diarylbenzimidazoles have been identified as potent inhibitors of KDR kinase activity. The series was developed with a goal of finding compounds with optimal drug-like properties. This communication describes structural modifications in the series that enhance solubility, lower protein binding, and provide compounds with excellent potency and pharmacokinetic profiles. aid8520.table aid8520.tbin
8521 1 Title: Non-peptide alpha v beta 3 antagonists. Part 7: 3-Substituted tetrahydro-naphthyridine derivatives. Abstract: A series of 3-substituted tetrahydro-[1,8]naphthyridine containing alpha(v)beta(3) antagonists was prepared. A comparison of their in vitro IC(50) values to the electron properties of the 3-substituents revealed a good linear Hammett correlation (rho=-1.96, R(2)=0.959). Electron-withdrawing groups at the 3-position of the tetrahydro-[1,8]naphthyridine decreased potency while elect... aid8521.table aid8521.tbin
8522 5 Title: Oxyguanidines. Part 2: Discovery of a novel orally active thrombin inhibitor through structure-based drug design and parallel synthesis. Abstract: Through structure-based drug design and parallel synthesis, we have discovered a novel series of nonpeptidic phenyl-based thrombin inhibitors using oxyguanidines as guanidine bioisosteres. These compounds have been found to be highly potent, highly selective, and orally bioavailable. aid8522.table aid8522.tbin
8523 7 Title: HIV-1 protease inhibitors with picomolar potency against PI-resistant HIV-1 by modification of the P1' substituent. Abstract: Transposition of the pyridyl nitrogen from the P(3) substituent to the P(1)' substituent in HIV-1 protease inhibitors (PI) affords compounds such as 3 with an improved inhibitory profile against multiple P450 isoforms. These compounds also displayed increased potency, with 3 inhibiting viral spread (CIC(95)) at &lt;8 nM for every strain of PI-resistant HIV-1 tested... aid8523.table aid8523.tbin
8524 4 Title: Nonpeptide alphavbeta3 antagonists. 8. In vitro and in vivo evaluation of a potent alphavbeta3 antagonist for the prevention and treatment of osteoporosis. Abstract: 3(S)-(6-methoxypyridin-3-yl)-3-[2-oxo-3-[3-(5,6,7,8-tetrahydro-[1,8]-naphthyridin-2-yl)propyl]imidazolidin-1-yl]propionic acid 6 was identified as a potent and selective antagonist of the alpha(v)beta(3) receptor. This compound has an excellent in vitro profile (IC(50) = 0.08 nM), a significant unbound fraction in human plasm... aid8524.table aid8524.tbin
8525 1 Title: 1,3,4-Trisubstituted pyrrolidine CCR5 receptor antagonists. Part 2: lead optimization affording selective, orally bioavailable compounds with potent anti-HIV activity. Abstract: Investigations of the structure-activity relationships of 1,3,4-trisubstituted pyrrolidine human CCR5 receptor antagonists afforded orally bioavailable compounds with the ability to inhibit HIV replication in vitro. aid8525.table aid8525.tbin
8526 1 Title: Optimization of the indolyl quinolinone class of KDR (VEGFR-2) kinase inhibitors: effects of 5-amido- and 5-sulphonamido-indolyl groups on pharmacokinetics and hERG binding. Abstract: Modifications to the basic side-chain of early lead structures of the indolyl quinolinone class of KDR kinase inhibitors resulted in improved pharmacokinetic and ancillary profiles. Specifically, compounds bearing 5-amido- and 5-sulphonamido-indolyl substituents exhibited lower plasma clearance and weaker bi... aid8526.table aid8526.tbin
8527 2 Title: Optimization of the indolyl quinolinone class of KDR (VEGFR-2) kinase inhibitors: effects of 5-amido- and 5-sulphonamido-indolyl groups on pharmacokinetics and hERG binding. Abstract: Modifications to the basic side-chain of early lead structures of the indolyl quinolinone class of KDR kinase inhibitors resulted in improved pharmacokinetic and ancillary profiles. Specifically, compounds bearing 5-amido- and 5-sulphonamido-indolyl substituents exhibited lower plasma clearance and weaker bi... aid8527.table aid8527.tbin
8528 12 Title: Optimization of the indolyl quinolinone class of KDR (VEGFR-2) kinase inhibitors: effects of 5-amido- and 5-sulphonamido-indolyl groups on pharmacokinetics and hERG binding. Abstract: Modifications to the basic side-chain of early lead structures of the indolyl quinolinone class of KDR kinase inhibitors resulted in improved pharmacokinetic and ancillary profiles. Specifically, compounds bearing 5-amido- and 5-sulphonamido-indolyl substituents exhibited lower plasma clearance and weaker bi... aid8528.table aid8528.tbin
8529 2 Title: Synthesis, pharmacology and pharmacokinetics of 3-(4-aryl-piperazin-1-ylalkyl)-uracils as uroselective alpha1A-antagonists. Abstract: Predominance in the urethra and prostate of the alpha(1A)-adrenoceptor subtype, which is believed to be the receptor mediating noradrenaline induced smooth muscle contraction in these tissues, led to the preparation of alpha(1A)-selective antagonists to be tested as uroselective compounds for the treatment of benign prostatic hyperplasia. Thus, a number of ... aid8529.table aid8529.tbin
8530 6 Title: Discovery and biological characterization of capromorelin analogues with extended half-lives. Abstract: New tert-butyl, picolyl and fluorinated analogues of capromorelin (3), a short-acting growth hormone secretagogue (GHS), were prepared as part of a program to identify long-acting GHSs that increase 24-h plasma IGF-1 levels. Compounds 4c and 4d (ACD LogD values &gt;or=2.9) displayed extended plasma elimination half-lives in dogs, primarily due to high volumes of distribution, but showed... aid8530.table aid8530.tbin
8531 1 Title: Structure-based design, synthesis, and biological evaluation of irreversible human rhinovirus 3C protease inhibitors. 6. Structure-activity studies of orally bioavailable, 2-pyridone-containing peptidomimetics. Abstract: The structure-based design, chemical synthesis, and biological evaluation of various 2-pyridone-containing human rhinovirus (HRV) 3C protease (3CP) inhibitors are described. These compounds are comprised of a peptidomimetic binding determinant and a Michael acceptor moiet... aid8531.table aid8531.tbin
8532 1 Title: Structure-based design, synthesis, and biological evaluation of irreversible human rhinovirus 3C protease inhibitors. 6. Structure-activity studies of orally bioavailable, 2-pyridone-containing peptidomimetics. Abstract: The structure-based design, chemical synthesis, and biological evaluation of various 2-pyridone-containing human rhinovirus (HRV) 3C protease (3CP) inhibitors are described. These compounds are comprised of a peptidomimetic binding determinant and a Michael acceptor moiet... aid8532.table aid8532.tbin
8533 1 Title: Synthesis, structure-activity relationships, and pharmacokinetic profiles of nonpeptidic difluoromethylene ketones as novel inhibitors of human chymase. Abstract: Potent human chymase inhibitors with high enzymatic selectivity and satisfactory metabolic stability were obtained by replacing the Val-Pro (P3-P2) dipeptide portion of the previously described inhibitor 1 with a nonpeptidic pyrimidinone skeleton. The potency of the novel compounds was further enhanced by the introduction of car... aid8533.table aid8533.tbin
8534 1 Title: 2,4-disubstituted pyrimidines: a novel class of KDR kinase inhibitors. Abstract: 2,4-Disubstituted pyrimidines were synthesized as a novel class of KDR kinase inhibitors. Evaluation of the SAR of the screening lead compound 1 (KDR IC(50)=105 nM, Cell IC(50)=8% inhibition at 500 nM) led to the potent 3,5-dimethylaniline derivative 2d (KDR IC(50)=6 nM, cell IC(50)=19 nM). aid8534.table aid8534.tbin
8535 1 Title: Potent and selective aggrecanase inhibitors containing cyclic P1 substituents. Abstract: Anti-succinate hydroxamates with cyclic P1 motifs were synthesized as aggrecanase inhibitors. The N-methanesulfonyl piperidine 23 and the N-trifluoroacetyl azetidine 26 were the most potent aggrecanase inhibitors both having an IC(50)=3nM while maintaining &gt;100-fold selectivity over MMP-1, -2, and -9. The cyclic moieties were also capable of altering in vivo metabolism, hence delivering low clearan... aid8535.table aid8535.tbin
8536 2 Tested for systemic clearance upon intravenous administration of 5.0 mg/Kg dose in dog aid8536.table aid8536.tbin
8537 1 Title: Synthesis and activity of novel HIV protease inhibitors with improved potency against multiple PI-resistant viral strains. Abstract: Substitution of the t-butylcarboxamide substituent in analogues of the HIV protease inhibitor (PI) Indinavir with a trifluoroethylamide moiety confers greater potency against both the wild-type (NL4-3) virus and PI-resistant HIV. The trifluoroethyl substituent also affords a slower clearance rate in vivo (dogs); however, this may be due to more potent inhibi... aid8537.table aid8537.tbin
8538 1 Title: Synthesis and activity of novel HIV protease inhibitors with improved potency against multiple PI-resistant viral strains. Abstract: Substitution of the t-butylcarboxamide substituent in analogues of the HIV protease inhibitor (PI) Indinavir with a trifluoroethylamide moiety confers greater potency against both the wild-type (NL4-3) virus and PI-resistant HIV. The trifluoroethyl substituent also affords a slower clearance rate in vivo (dogs); however, this may be due to more potent inhibi... aid8538.table aid8538.tbin
8539 8 Title: 3-Aminopyrrolidinone farnesyltransferase inhibitors: design of macrocyclic compounds with improved pharmacokinetics and excellent cell potency. Abstract: A series of macrocyclic 3-aminopyrrolidinone farnesyltransferase inhibitors (FTIs) has been synthesized. Compared with previously described linear 3-aminopyrrolidinone FTIs such as compound 1, macrocycles such as 49 combined improved pharmacokinetic properties with a reduced potential for side effects. In dogs, oral bioavailability was g... aid8539.table aid8539.tbin
8540 1 Title: 3-Aminopyrrolidinone farnesyltransferase inhibitors: design of macrocyclic compounds with improved pharmacokinetics and excellent cell potency. Abstract: A series of macrocyclic 3-aminopyrrolidinone farnesyltransferase inhibitors (FTIs) has been synthesized. Compared with previously described linear 3-aminopyrrolidinone FTIs such as compound 1, macrocycles such as 49 combined improved pharmacokinetic properties with a reduced potential for side effects. In dogs, oral bioavailability was g... aid8540.table aid8540.tbin
8541 4 Title: 3-Aminopyrrolidinone farnesyltransferase inhibitors: design of macrocyclic compounds with improved pharmacokinetics and excellent cell potency. Abstract: A series of macrocyclic 3-aminopyrrolidinone farnesyltransferase inhibitors (FTIs) has been synthesized. Compared with previously described linear 3-aminopyrrolidinone FTIs such as compound 1, macrocycles such as 49 combined improved pharmacokinetic properties with a reduced potential for side effects. In dogs, oral bioavailability was g... aid8541.table aid8541.tbin
8542 1 Title: Synthesis and SAR of aminoalkoxy-biaryl-4-carboxamides: novel and selective histamine H3 receptor antagonists. Abstract: Novel 4'-[(NR1R2-1-yl)]-propoxy-biaryl-4-carboxamides were designed and synthesized. All compounds were tested for affinity at histamine H(3)receptors. Most compounds were highly potent and selective for human and rat H(3) receptors and selected examples such as A-349821 showed functional antagonism of H(3) receptors in vitro and in a mouse dipsogenia model. aid8542.table aid8542.tbin
8543 2 Title: Synthesis and activity of novel HIV protease inhibitors with improved potency against multiple PI-resistant viral strains. Abstract: Substitution of the t-butylcarboxamide substituent in analogues of the HIV protease inhibitor (PI) Indinavir with a trifluoroethylamide moiety confers greater potency against both the wild-type (NL4-3) virus and PI-resistant HIV. The trifluoroethyl substituent also affords a slower clearance rate in vivo (dogs); however, this may be due to more potent inhibi... aid8543.table aid8543.tbin
8544 2 Title: HIV protease inhibitors with picomolar potency against PI-Resistant HIV-1 by extension of the P3 substituent. Abstract: A biaryl pyridylfuran P(3) substituent on the hydroxyethylene isostere scaffold affords HIV protease inhibitors (PI's) with picomolar (IC(50)) potency against the protease enzymes from PI-resistant HIV-1 strains. Inclusion of a gem-dimethyl substituent afforded compound 3 with 100% oral bioavailability (dogs) and more than double the t(1/2) of indinavir. Inhibition of mu... aid8544.table aid8544.tbin
8545 2 Title: HIV protease inhibitors with picomolar potency against PI-Resistant HIV-1 by extension of the P3 substituent. Abstract: A biaryl pyridylfuran P(3) substituent on the hydroxyethylene isostere scaffold affords HIV protease inhibitors (PI's) with picomolar (IC(50)) potency against the protease enzymes from PI-resistant HIV-1 strains. Inclusion of a gem-dimethyl substituent afforded compound 3 with 100% oral bioavailability (dogs) and more than double the t(1/2) of indinavir. Inhibition of mu... aid8545.table aid8545.tbin
8546 1 Title: HIV protease inhibitors with picomolar potency against PI-Resistant HIV-1 by extension of the P3 substituent. Abstract: A biaryl pyridylfuran P(3) substituent on the hydroxyethylene isostere scaffold affords HIV protease inhibitors (PI's) with picomolar (IC(50)) potency against the protease enzymes from PI-resistant HIV-1 strains. Inclusion of a gem-dimethyl substituent afforded compound 3 with 100% oral bioavailability (dogs) and more than double the t(1/2) of indinavir. Inhibition of mu... aid8546.table aid8546.tbin
8547 2 Title: Discovery of a potent, orally bioavailable beta(3) adrenergic receptor agonist, (R)-N-[4-[2-[[2-hydroxy-2-(3-pyridinyl)ethyl]amino]ethyl]phenyl]-4-[4 -[4-(trifluoromethyl)phenyl]thiazol-2-yl]benzenesulfonamide. Abstract: As part of our investigation into the development of orally bioavailable beta(3) adrenergic receptor agonists, we have identified a series of pyridylethanolamine analogues possessing a substituted thiazole benzenesulfonamide pharmacophore that are potent human beta(3) ago... aid8547.table aid8547.tbin
8548 2 Title: Discovery of a potent, orally bioavailable beta(3) adrenergic receptor agonist, (R)-N-[4-[2-[[2-hydroxy-2-(3-pyridinyl)ethyl]amino]ethyl]phenyl]-4-[4 -[4-(trifluoromethyl)phenyl]thiazol-2-yl]benzenesulfonamide. Abstract: As part of our investigation into the development of orally bioavailable beta(3) adrenergic receptor agonists, we have identified a series of pyridylethanolamine analogues possessing a substituted thiazole benzenesulfonamide pharmacophore that are potent human beta(3) ago... aid8548.table aid8548.tbin
8549 1 Title: A simple stereoselective synthesis and biological evaluation of FR181157: orally active prostacyclin mimetic. Abstract: Synthetic method of a novel prostaglandin (PG) mimetic: FR181175 without PG skeleton are described. The key to success is creation of a chiral epoxide using Sharpless AD reaction with high ee yield. FR181157 shows high potency and agonist efficacy at the IP receptor and has good bioavailability. aid8549.table aid8549.tbin
8550 1 Title: Muscarinic M(3) receptor antagonists with (2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxyphenylacetamide Structures. Part 2. Abstract: Optimization of the amine part of our original muscarinic M(3) receptor antagonist 1 was performed to identify M(3) receptor antagonists that are superior to 1. Compounds carrying a variety of diamine moieties without hydrophobic substituent on the nitrogen atom were screened against the binding affinity for the M(3) receptor and the selectivity for M(3) o... aid8550.table aid8550.tbin
8551 1 Title: N-(cycloalkylamino)acyl-2-aminothiazole inhibitors of cyclin-dependent kinase 2. N-[5-[[[5-(1,1-dimethylethyl)-2-oxazolyl]methyl]thio]-2-thiazolyl]-4- piperidinecarboxamide (BMS-387032), a highly efficacious and selective antitumor agent. Abstract: N-Acyl-2-aminothiazoles with nonaromatic acyl side chains containing a basic amine were found to be potent, selective inhibitors of CDK2/cycE which exhibit antitumor activity in mice. In particular, compound 21 [N-[5-[[[5-(1,1-dimethylethyl)-2-... aid8551.table aid8551.tbin
8552 1 Title: Nonbenzamidine tetrazole derivatives as factor Xa inhibitors. Abstract: Factor Xa (fXa) is an important serine protease that holds the central position linking the intrinsic and extrinsic activation mechanisms in the blood coagulation cascade. Therefore, inhibition of fXa has potential therapeutic applications in the treatments of both arterial and venous thrombosis. Herein we describe a series of tetrazole fXa inhibitors containing benzamidine mimics as the P(1) substrate, of which the a... aid8552.table aid8552.tbin
8553 1 Title: Nonbenzamidine tetrazole derivatives as factor Xa inhibitors. Abstract: Factor Xa (fXa) is an important serine protease that holds the central position linking the intrinsic and extrinsic activation mechanisms in the blood coagulation cascade. Therefore, inhibition of fXa has potential therapeutic applications in the treatments of both arterial and venous thrombosis. Herein we describe a series of tetrazole fXa inhibitors containing benzamidine mimics as the P(1) substrate, of which the a... aid8553.table aid8553.tbin
8554 1 Title: Nonbenzamidine tetrazole derivatives as factor Xa inhibitors. Abstract: Factor Xa (fXa) is an important serine protease that holds the central position linking the intrinsic and extrinsic activation mechanisms in the blood coagulation cascade. Therefore, inhibition of fXa has potential therapeutic applications in the treatments of both arterial and venous thrombosis. Herein we describe a series of tetrazole fXa inhibitors containing benzamidine mimics as the P(1) substrate, of which the a... aid8554.table aid8554.tbin
8555 1 Title: N-hydroxyformamide peptidomimetics as TACE/matrix metalloprotease inhibitors: oral activity via P1' isobutyl substitution. Abstract: N-Hydroxyformamide-class metalloprotease inhibitors were designed and synthesized, which have potent broad-spectrum activity versus matrix metalloproteases and TNF-alpha converting enzyme (TACE). Compound 13c possesses good oral and intravenous pharmacokinetics in the rat and dog. aid8555.table aid8555.tbin
8556 8 Title: Evaluation of amino acid-based linkers in potent macrocyclic inhibitors of farnesyl-protein transferase. Abstract: A series of amino acid-based linkers was used to investigate the effects of various substituents upon the potency, pharmacokinetic properties, and conformation of macrocyclic farnesyl-protein transferase inhibitors (FTIs). As a result of the studies described herein, highly potent FTIs with improved pharmacokinetic profiles have been identified. aid8556.table aid8556.tbin
8557 1 Clearance value was evaluated in dog plasma aid8557.table aid8557.tbin
8558 1 Title: Heterocyclic aminopyrrolidine derivatives as melatoninergic agents. Abstract: A series of chiral heterocyclic aminopyrrolidine derivatives was synthesized as novel melatoninergic ligands. Binding affinity assays were performed on cloned human MT(1) and MT(2) receptors, stably expressed in NIH3T3 cells. Compound 16 was identified as an orally bioavailable agonist at MT(1) and MT(2) melatonin receptors with low vasoconstrictive activity. aid8558.table aid8558.tbin
8559 8 Title: Identification of potent and selective oxytocin antagonists. Part 2: further investigation of benzofuran derivatives. Abstract: The paper covers continuing efforts to discover novel, potent and selective oxytocin antagonists. Further benzofuran derivatives with potent oxytocin antagonist activity and good pharmacokinetic parameters are reported. Efforts to improve the in vivo activity of the series are described. aid8559.table aid8559.tbin
8560 1 Title: Indazolylamino quinazolines and pyridopyrimidines as inhibitors of the EGFr and C-erbB-2. Abstract: Described herein is the design and synthesis of indazolylaminopyridopyrimidines and quinazolines as inhibitors of the class 1 tyrosine kinase receptor family. Data is presented for N(4)-(1-benzyl-1H-indazol-5-yl)-N(6),N(6)-dimethylpyrido[3,4-d]pyrimidine-4,6-diamine 3B. This compound inhibited EGFr and c-erbB-2 enzymes selectively over other kinases. It inhibited the proliferation of a rang... aid8560.table aid8560.tbin
8561 1 Title: Design and synthesis of new templates derived from pyrrolopyrimidine as selective multidrug-resistance-associated protein inhibitors in multidrug resistance. Abstract: In our continued effort to identify selective MRP1 modulators, we have developed two novel templates, 3 and 4, through rational drug design by identifying the key pharmacophore interaction at the 7-position of the pyrrolopyrimidine template 1. Further synthesis and SAR work on these novel templates gave a number of potent M... aid8561.table aid8561.tbin
8562 3 Title: Studies on pyrrolopyrimidines as selective inhibitors of multidrug-resistance-associated protein in multidrug resistance. Abstract: Multidrug resistance mediated by P-glycoprotein (Pgp) or multidrug-resistance-associated protein (MRP) remains a major obstacle for successful treatment of cancer. Inhibition of Pgp and MRP transport is important for high efficacy of anticancer drugs. While several Pgp inhibitors have entered clinical trials, the development of specific MRP1 inhibitors is sti... aid8562.table aid8562.tbin
8563 2 Title: Synthesis and biological evaluation of 2-indolyloxazolines as a new class of tubulin polymerization inhibitors. Discovery of A-289099 as an orally active antitumor agent. Abstract: A series of indole containing oxazolines has been discovered as a result of structural modifications of the lead compound A-105972. The compounds exert their anticancer activity through inhibition of tubulin polymerization by binding at the colchicine site. A-289099 was identified as an orally active antimitoti... aid8563.table aid8563.tbin
8564 1 Title: Novel 6,7-diphenyl-2,3,8,8a-tetrahydro-1H-indolizin-5-one analogues as cytotoxic agents. Abstract: A series of 6,7-diphenyl-2,3,8,8a-tetrahydro-1H-indolizin-5-one analogues were synthesized and evaluated for cytotoxic activity against eight human cancer cell lines. Compounds 18, 21, 28, 29, 30 and 31 showed cytotoxic activity with GI(50) values in the range of 2.1-8.1 microM concentration. Among these, compounds 21 and 28 exhibited good pharmacokinetic properties. These compounds were fur... aid8564.table aid8564.tbin
8565 5 Title: Novel 6,7-diphenyl-2,3,8,8a-tetrahydro-1H-indolizin-5-one analogues as cytotoxic agents. Abstract: A series of 6,7-diphenyl-2,3,8,8a-tetrahydro-1H-indolizin-5-one analogues were synthesized and evaluated for cytotoxic activity against eight human cancer cell lines. Compounds 18, 21, 28, 29, 30 and 31 showed cytotoxic activity with GI(50) values in the range of 2.1-8.1 microM concentration. Among these, compounds 21 and 28 exhibited good pharmacokinetic properties. These compounds were fur... aid8565.table aid8565.tbin
8566 2 Title: N-(cycloalkylamino)acyl-2-aminothiazole inhibitors of cyclin-dependent kinase 2. N-[5-[[[5-(1,1-dimethylethyl)-2-oxazolyl]methyl]thio]-2-thiazolyl]-4- piperidinecarboxamide (BMS-387032), a highly efficacious and selective antitumor agent. Abstract: N-Acyl-2-aminothiazoles with nonaromatic acyl side chains containing a basic amine were found to be potent, selective inhibitors of CDK2/cycE which exhibit antitumor activity in mice. In particular, compound 21 [N-[5-[[[5-(1,1-dimethylethyl)-2-... aid8566.table aid8566.tbin
8567 1 Title: N-(cycloalkylamino)acyl-2-aminothiazole inhibitors of cyclin-dependent kinase 2. N-[5-[[[5-(1,1-dimethylethyl)-2-oxazolyl]methyl]thio]-2-thiazolyl]-4- piperidinecarboxamide (BMS-387032), a highly efficacious and selective antitumor agent. Abstract: N-Acyl-2-aminothiazoles with nonaromatic acyl side chains containing a basic amine were found to be potent, selective inhibitors of CDK2/cycE which exhibit antitumor activity in mice. In particular, compound 21 [N-[5-[[[5-(1,1-dimethylethyl)-2-... aid8567.table aid8567.tbin
8568 2 Title: N-(cycloalkylamino)acyl-2-aminothiazole inhibitors of cyclin-dependent kinase 2. N-[5-[[[5-(1,1-dimethylethyl)-2-oxazolyl]methyl]thio]-2-thiazolyl]-4- piperidinecarboxamide (BMS-387032), a highly efficacious and selective antitumor agent. Abstract: N-Acyl-2-aminothiazoles with nonaromatic acyl side chains containing a basic amine were found to be potent, selective inhibitors of CDK2/cycE which exhibit antitumor activity in mice. In particular, compound 21 [N-[5-[[[5-(1,1-dimethylethyl)-2-... aid8568.table aid8568.tbin
8569 1 Title: N-(cycloalkylamino)acyl-2-aminothiazole inhibitors of cyclin-dependent kinase 2. N-[5-[[[5-(1,1-dimethylethyl)-2-oxazolyl]methyl]thio]-2-thiazolyl]-4- piperidinecarboxamide (BMS-387032), a highly efficacious and selective antitumor agent. Abstract: N-Acyl-2-aminothiazoles with nonaromatic acyl side chains containing a basic amine were found to be potent, selective inhibitors of CDK2/cycE which exhibit antitumor activity in mice. In particular, compound 21 [N-[5-[[[5-(1,1-dimethylethyl)-2-... aid8569.table aid8569.tbin
8570 1 Title: N-(cycloalkylamino)acyl-2-aminothiazole inhibitors of cyclin-dependent kinase 2. N-[5-[[[5-(1,1-dimethylethyl)-2-oxazolyl]methyl]thio]-2-thiazolyl]-4- piperidinecarboxamide (BMS-387032), a highly efficacious and selective antitumor agent. Abstract: N-Acyl-2-aminothiazoles with nonaromatic acyl side chains containing a basic amine were found to be potent, selective inhibitors of CDK2/cycE which exhibit antitumor activity in mice. In particular, compound 21 [N-[5-[[[5-(1,1-dimethylethyl)-2-... aid8570.table aid8570.tbin
8571 2 Title: Design and synthesis of a fluoroindolocarbazole series as selective topoisomerase I active agents. Discovery of water-soluble 3,9-difluoro-12,13-dihydro-13-[6-amino-beta-D-glucopyranosyl]-5H,13H-benzo[b]- thienyl[2,3-a]pyrrolo[3,4-c]carbazole- 5,7(6H)-dione (BMS-251873) with curative antitumor activity against prostate carcinoma xenograft tumor model. Abstract: A series of fluoroindolocarbazoles were studied with respect to their topoisomerase I activity, cytotoxicity, selectivity, and in... aid8571.table aid8571.tbin
8572 1 Title: Design and synthesis of a fluoroindolocarbazole series as selective topoisomerase I active agents. Discovery of water-soluble 3,9-difluoro-12,13-dihydro-13-[6-amino-beta-D-glucopyranosyl]-5H,13H-benzo[b]- thienyl[2,3-a]pyrrolo[3,4-c]carbazole- 5,7(6H)-dione (BMS-251873) with curative antitumor activity against prostate carcinoma xenograft tumor model. Abstract: A series of fluoroindolocarbazoles were studied with respect to their topoisomerase I activity, cytotoxicity, selectivity, and in... aid8572.table aid8572.tbin
8573 1 Title: Design and synthesis of a fluoroindolocarbazole series as selective topoisomerase I active agents. Discovery of water-soluble 3,9-difluoro-12,13-dihydro-13-[6-amino-beta-D-glucopyranosyl]-5H,13H-benzo[b]- thienyl[2,3-a]pyrrolo[3,4-c]carbazole- 5,7(6H)-dione (BMS-251873) with curative antitumor activity against prostate carcinoma xenograft tumor model. Abstract: A series of fluoroindolocarbazoles were studied with respect to their topoisomerase I activity, cytotoxicity, selectivity, and in... aid8573.table aid8573.tbin
8574 1 Title: Nonpeptidic HIV protease inhibitors: 6-alkyl-5,6-dihydropyran-2-ones possessing achiral 3-(4-amino/carboxamide-2-t-butyl,5-methylphenyl thio) moiety: antiviral activities and pharmacokinetic properties. Abstract: Dihydropyran-2-ones possessing amino and carboxamide functionalities on 3-SPh (2-tert-butyl, 5-methyl) ring were synthesized and evaluated for their antiviral activities. Both the enantiomers of inhibitor 15 were synthesized. The in vitro resistance profile, inhibitory activities... aid8574.table aid8574.tbin
8575 1 Title: Nonpeptidic HIV protease inhibitors: 6-alkyl-5,6-dihydropyran-2-ones possessing achiral 3-(4-amino/carboxamide-2-t-butyl,5-methylphenyl thio) moiety: antiviral activities and pharmacokinetic properties. Abstract: Dihydropyran-2-ones possessing amino and carboxamide functionalities on 3-SPh (2-tert-butyl, 5-methyl) ring were synthesized and evaluated for their antiviral activities. Both the enantiomers of inhibitor 15 were synthesized. The in vitro resistance profile, inhibitory activities... aid8575.table aid8575.tbin
8576 1 Title: Sultam hydroxamates as novel matrix metalloproteinase inhibitors. Abstract: In this communication we describe the design, synthesis, and evaluation of novel sultam hydroxamates 4 as MMP-2, -9, and -13 inhibitors. Compound 26 was found to be an active inhibitor (MMP-2 IC(50) = 1 nM) with 1000-fold selectivity over MMP-1 and good oral bioavailability (F = 43%) in mouse. An X-ray crystal structure of 26 in MMP-13 confirms the key hydrogen bonds and prime side binding in the active site. aid8576.table aid8576.tbin
8577 1 Title: Sultam hydroxamates as novel matrix metalloproteinase inhibitors. Abstract: In this communication we describe the design, synthesis, and evaluation of novel sultam hydroxamates 4 as MMP-2, -9, and -13 inhibitors. Compound 26 was found to be an active inhibitor (MMP-2 IC(50) = 1 nM) with 1000-fold selectivity over MMP-1 and good oral bioavailability (F = 43%) in mouse. An X-ray crystal structure of 26 in MMP-13 confirms the key hydrogen bonds and prime side binding in the active site. aid8577.table aid8577.tbin
8578 1 Title: Discovery, SAR, synthesis, pharmacokinetic and biochemical characterization of A-192411: a novel fungicidal lipopeptide-(I). Abstract: The echinocandin class of cyclic lipopeptides has been simplified to discover potent antifungal compounds. Namely A-192411 shows good in vitro activity against common pathogenic yeasts and has an acceptable safety window in vivo. Discovery, limited SAR, synthesis, biochemical and pharmaco-dynamic profiles of A-192411 are presented. aid8578.table aid8578.tbin
8579 4 Title: Synthesis and antibacterial activity of 2alpha-functionalized 1beta-methylcarbapenems related to KR-21012. Abstract: The 2alpha-functionalized 1beta-methylcarbapenems 3 were synthesized from the 2-formyl 1beta-methylcarbapenem intermediate 5. The best compound in the series of 2alpha-(hydroxy)alkylcarbapenems, KR-21012, displayed well balanced in vitro and in vivo activity as a parent compound of oral carbapenem. aid8579.table aid8579.tbin
8580 1 Title: Discovery of aminothiazole inhibitors of cyclin-dependent kinase 2: synthesis, X-ray crystallographic analysis, and biological activities. Abstract: High throughput screening identified 2-acetamido-thiazolylthio acetic ester 1 as an inhibitor of cyclin-dependent kinase 2 (CDK2). Because this compound is inactive in cells and unstable in plasma, we have stabilized it to metabolic hydrolysis by replacing the ester moiety with a 5-ethyl-substituted oxazole as in compound 14. Combinatorial an... aid8580.table aid8580.tbin
8581 2 Title: Structure-activity relationship of 3-substituted N-(pyridinylacetyl)-4- (8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene )- piperidine inhibitors of farnesyl-protein transferase: design and synthesis of in vivo active antitumor compounds. Abstract: Novel tricyclic Ras farnesyl-protein transferase (FPT) inhibitors are described. A comprehensive structure-activity relationship (SAR) study of compounds arising from substitution at the 3-position of the tricyclic pyridi... aid8581.table aid8581.tbin
8582 2 Title: Structure-activity relationship of 3-substituted N-(pyridinylacetyl)-4- (8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene )- piperidine inhibitors of farnesyl-protein transferase: design and synthesis of in vivo active antitumor compounds. Abstract: Novel tricyclic Ras farnesyl-protein transferase (FPT) inhibitors are described. A comprehensive structure-activity relationship (SAR) study of compounds arising from substitution at the 3-position of the tricyclic pyridi... aid8582.table aid8582.tbin
8583 1 Title: Pyrrolo[2,3-d]pyrimidines containing diverse N-7 substituents as potent inhibitors of Lck. Abstract: A series of pyrrolo[2,3-d]pyrimidines was synthesized and evaluated as inhibitors of Lck. Lck accommodates a diverse set of substituents at N-7. Altering the substituent at N-7 provided compound 13, an orally available lck inhibitor which inhibited TCR mediated IL-2 production after oral dosing. aid8583.table aid8583.tbin
8584 1 Evaluated for pharmacokinetic parameter area under curve in mouse at the dose 20 mg/kg (0-4 hr ) aid8584.table aid8584.tbin
8585 2 Evaluated for pharmacokinetic parameter area under curve in mouse at the dose 20 mg/kg (0-4 hr) aid8585.table aid8585.tbin
8586 1 Title: Synthesis and biological activity of N-Acylated ornithine analogues of daptomycin. Abstract: N-Acylated ornithine analogues of daptomycin were synthesized and tested for their antibacterial efficacy. aid8586.table aid8586.tbin
8587 5 Title: Synthesis and biological activity of N-Acylated ornithine analogues of daptomycin. Abstract: N-Acylated ornithine analogues of daptomycin were synthesized and tested for their antibacterial efficacy. aid8587.table aid8587.tbin
8588 1 Title: Synthesis and biological activity of N-Acylated ornithine analogues of daptomycin. Abstract: N-Acylated ornithine analogues of daptomycin were synthesized and tested for their antibacterial efficacy. aid8588.table aid8588.tbin
8589 4 Title: Discovery and biological evaluation of potent dual ErbB-2/EGFR tyrosine kinase inhibitors: 6-thiazolylquinazolines. Abstract: We have identified a novel class of 6-thiazolylquinazolines as potent and selective inhibitors of both ErbB-2 and EGFR tyrosine kinase activity, with IC(50) values in the nanomolar range. These compounds inhibited the growth of both EGFR (HN5) and ErbB-2 (BT474) over-expressing human tumor cell lines in vitro. Using xenograft models of the same cell lines, we found... aid8589.table aid8589.tbin
8590 1 Title: Discovery and biological evaluation of potent dual ErbB-2/EGFR tyrosine kinase inhibitors: 6-thiazolylquinazolines. Abstract: We have identified a novel class of 6-thiazolylquinazolines as potent and selective inhibitors of both ErbB-2 and EGFR tyrosine kinase activity, with IC(50) values in the nanomolar range. These compounds inhibited the growth of both EGFR (HN5) and ErbB-2 (BT474) over-expressing human tumor cell lines in vitro. Using xenograft models of the same cell lines, we found... aid8590.table aid8590.tbin
8591 4 Title: Discovery and biological evaluation of potent dual ErbB-2/EGFR tyrosine kinase inhibitors: 6-thiazolylquinazolines. Abstract: We have identified a novel class of 6-thiazolylquinazolines as potent and selective inhibitors of both ErbB-2 and EGFR tyrosine kinase activity, with IC(50) values in the nanomolar range. These compounds inhibited the growth of both EGFR (HN5) and ErbB-2 (BT474) over-expressing human tumor cell lines in vitro. Using xenograft models of the same cell lines, we found... aid8591.table aid8591.tbin
8592 1 Title: Discovery and biological evaluation of potent dual ErbB-2/EGFR tyrosine kinase inhibitors: 6-thiazolylquinazolines. Abstract: We have identified a novel class of 6-thiazolylquinazolines as potent and selective inhibitors of both ErbB-2 and EGFR tyrosine kinase activity, with IC(50) values in the nanomolar range. These compounds inhibited the growth of both EGFR (HN5) and ErbB-2 (BT474) over-expressing human tumor cell lines in vitro. Using xenograft models of the same cell lines, we found... aid8592.table aid8592.tbin
8593 3 Title: Structure-based de novo design of non-nucleoside adenosine deaminase inhibitors. Abstract: We searched for non-nucleoside inhibitors of adenosine deaminase by rational structure-based de novo design and succeeded in the discovery of 1-(1-hydroxy-4-phenyl-2-butyl)imidazole-4-carboxamide (FR221647: K(i)=5.9 microM to human ADA) as a novel inhibitor with moderate activity and good pharmacokinetics compared with the known inhibitors pentostatin and EHNA. aid8593.table aid8593.tbin
8594 2 Title: Structure-based de novo design of non-nucleoside adenosine deaminase inhibitors. Abstract: We searched for non-nucleoside inhibitors of adenosine deaminase by rational structure-based de novo design and succeeded in the discovery of 1-(1-hydroxy-4-phenyl-2-butyl)imidazole-4-carboxamide (FR221647: K(i)=5.9 microM to human ADA) as a novel inhibitor with moderate activity and good pharmacokinetics compared with the known inhibitors pentostatin and EHNA. aid8594.table aid8594.tbin
8595 2 Title: The development of potent non-peptidic PTP-1B inhibitors. Abstract: The SAR from our peptide libraries was exploited to design a series of potent deoxybenzoin PTP-1B inhibitors. The introduction of an ortho bromo substituent next to the difluoromethylphosphonate warhead gave up to 20-fold increase in potency compared to the desbromo analogues. In addition, these compounds were orally bioavailable and active in the animal models of non-insulin dependent diabetes mellitus (NIDDM). aid8595.table aid8595.tbin
8596 1 Title: The development of potent non-peptidic PTP-1B inhibitors. Abstract: The SAR from our peptide libraries was exploited to design a series of potent deoxybenzoin PTP-1B inhibitors. The introduction of an ortho bromo substituent next to the difluoromethylphosphonate warhead gave up to 20-fold increase in potency compared to the desbromo analogues. In addition, these compounds were orally bioavailable and active in the animal models of non-insulin dependent diabetes mellitus (NIDDM). aid8596.table aid8596.tbin
8597 2 Title: Design and evaluation of dihydroisoquinolines as potent and orally bioavailable human cytomegalovirus inhibitors. Abstract: Following the identification of first pass metabolism issues with our recently described anti-HCMV compounds, the naphthyridines and isoquinolines, we have designed a class of novel metabolically stable and orally bioavailable anti-HCMV agents, the dihydroisoquinolines. aid8597.table aid8597.tbin
8598 1 Title: Design and evaluation of dihydroisoquinolines as potent and orally bioavailable human cytomegalovirus inhibitors. Abstract: Following the identification of first pass metabolism issues with our recently described anti-HCMV compounds, the naphthyridines and isoquinolines, we have designed a class of novel metabolically stable and orally bioavailable anti-HCMV agents, the dihydroisoquinolines. aid8598.table aid8598.tbin
8599 1 Title: Design and evaluation of dihydroisoquinolines as potent and orally bioavailable human cytomegalovirus inhibitors. Abstract: Following the identification of first pass metabolism issues with our recently described anti-HCMV compounds, the naphthyridines and isoquinolines, we have designed a class of novel metabolically stable and orally bioavailable anti-HCMV agents, the dihydroisoquinolines. aid8599.table aid8599.tbin
8600 2 Title: Design and evaluation of dihydroisoquinolines as potent and orally bioavailable human cytomegalovirus inhibitors. Abstract: Following the identification of first pass metabolism issues with our recently described anti-HCMV compounds, the naphthyridines and isoquinolines, we have designed a class of novel metabolically stable and orally bioavailable anti-HCMV agents, the dihydroisoquinolines. aid8600.table aid8600.tbin
8601 4 Title: Synthesis and antibacterial properties of beta-diketone acrylate bioisosteres of pseudomonic acid A. Abstract: A series of beta-diketone acrylate bioisosteres 4 of pseudomonic acid A 1 have been synthesized and evaluated for their ability to inhibit bacterial isoleucyl-tRNA synthetase and act as antibacterial agents. A number of analogues have excellent antibacterial activity. Selected examples were shown to afford good blood levels and to be effective in a murine infection model. aid8601.table aid8601.tbin
8602 4 Title: Synthesis and antibacterial properties of beta-diketone acrylate bioisosteres of pseudomonic acid A. Abstract: A series of beta-diketone acrylate bioisosteres 4 of pseudomonic acid A 1 have been synthesized and evaluated for their ability to inhibit bacterial isoleucyl-tRNA synthetase and act as antibacterial agents. A number of analogues have excellent antibacterial activity. Selected examples were shown to afford good blood levels and to be effective in a murine infection model. aid8602.table aid8602.tbin
8603 1 Title: The synthesis and biological evaluation of a novel series of indole PDE4 inhibitors I. Abstract: This communication describes the synthesis and in vitro evaluation of a novel potent series of phosphodiesterase type (IV) (PDE4) inhibitors. The compounds described contain an indole moiety which replaces the 'rolipram-like' 3-methoxy-4-cyclopentoxy motif. Several of the compounds presented possess low nanomolar IC50's for PDEIV inhibition. In vivo activities determined from measurement of se... aid8603.table aid8603.tbin
8604 1 Title: The synthesis and biological evaluation of a novel series of indole PDE4 inhibitors I. Abstract: This communication describes the synthesis and in vitro evaluation of a novel potent series of phosphodiesterase type (IV) (PDE4) inhibitors. The compounds described contain an indole moiety which replaces the 'rolipram-like' 3-methoxy-4-cyclopentoxy motif. Several of the compounds presented possess low nanomolar IC50's for PDEIV inhibition. In vivo activities determined from measurement of se... aid8604.table aid8604.tbin
8605 1 Title: Discovery of aminothiazole inhibitors of cyclin-dependent kinase 2: synthesis, X-ray crystallographic analysis, and biological activities. Abstract: High throughput screening identified 2-acetamido-thiazolylthio acetic ester 1 as an inhibitor of cyclin-dependent kinase 2 (CDK2). Because this compound is inactive in cells and unstable in plasma, we have stabilized it to metabolic hydrolysis by replacing the ester moiety with a 5-ethyl-substituted oxazole as in compound 14. Combinatorial an... aid8605.table aid8605.tbin
8606 1 Title: Discovery of aminothiazole inhibitors of cyclin-dependent kinase 2: synthesis, X-ray crystallographic analysis, and biological activities. Abstract: High throughput screening identified 2-acetamido-thiazolylthio acetic ester 1 as an inhibitor of cyclin-dependent kinase 2 (CDK2). Because this compound is inactive in cells and unstable in plasma, we have stabilized it to metabolic hydrolysis by replacing the ester moiety with a 5-ethyl-substituted oxazole as in compound 14. Combinatorial an... aid8606.table aid8606.tbin
8607 2 Title: Discovery of aminothiazole inhibitors of cyclin-dependent kinase 2: synthesis, X-ray crystallographic analysis, and biological activities. Abstract: High throughput screening identified 2-acetamido-thiazolylthio acetic ester 1 as an inhibitor of cyclin-dependent kinase 2 (CDK2). Because this compound is inactive in cells and unstable in plasma, we have stabilized it to metabolic hydrolysis by replacing the ester moiety with a 5-ethyl-substituted oxazole as in compound 14. Combinatorial an... aid8607.table aid8607.tbin
8608 1 Title: Synthesis and evaluation of dihydropyrroloquinolines that selectively antagonize P-glycoprotein. Abstract: In a search for improved multiple drug resistance (MDR) modulators, we identified a novel series of substituted pyrroloquinolines that selectively inhibits the function of P-glycoprotein (Pgp) without modulating multidrug resistance-related protein 1 (MRP1). These compounds were evaluated for their toxicity toward drug-sensitive tumor cells (i.e. MCF-7, T24) and for their ability to ... aid8608.table aid8608.tbin
8609 4 Title: Synthesis and biological distribution of radiolabeled ammineruthenium (III)-amino acid complexes as potential pancreatic imaging agents. Abstract: Complexes of ammine[103Ru]ruthenium(III) with L-histidine, beta-(4-pyridyl)-alpha-alanine, and S-[beta-(4-pyridyl)ethyl]-L-cysteine were synthesized in low specific activity and evaluated in mice as potential radiodiagnostic agents for pancreatic imaging. The biological distribution of each complex was determined in normal mice at 15 min, 1 h, ... aid8609.table aid8609.tbin
8610 1 Title: Synthesis and biological evaluation of 2',3'-didehydro-2',3'- dideoxy-5-fluorocytidine (D4FC) analogues: discovery of carbocyclic nucleoside triphosphates with potent inhibitory activity against HIV-1 reverse transcriptase. Abstract: The discovery of a novel cytosine nucleoside, beta-D-2', 3'-didehydro-2',3'-dideoxy-5-fluorocytidine (D-D4FC), as a potent antihuman immunodeficiency virus (HIV) agent led us to synthesize a series of analogues and derivatives of beta-D-D4FC that could be mor... aid8610.table aid8610.tbin
8611 1 Anti proliferation activity determined; Weak effect aid8611.table aid8611.tbin
8612 1 Inhibition of cell growth by compound at a concentration of 100 uM in 9Ltk+ cells; Completely stopped the process aid8612.table aid8612.tbin
8613 1 Inhibition of cell growth by compound at a concentration of 10 uM in 9Ltk+ cells aid8613.table aid8613.tbin
8614 1 Inhibition of cell growth by compound at a concentration of 10 uM in 9Ltk+ cells; Completely stopped the process aid8614.table aid8614.tbin
8615 1 Title: Plant antitumor agents. 29. Synthesis and biological activity of ring D and ring E modified analogues of camptothecin. Abstract: The total synthesis of the pentacyclic camptothecin analogues 3 and 4 in 11 steps from p-tolualdehyde is described. The overall shape of compound 3 is the same as that of potent, naturally occurring camptothecin (1a). Despite the near spatial identity of 3 and 1b (racemic, (20RS)-camptothecin) from a three-dimensional standpoint, the 9KB and 9PS cytotoxicity ass... aid8615.table aid8615.tbin
8616 1 Title: Plant antitumor agents. 29. Synthesis and biological activity of ring D and ring E modified analogues of camptothecin. Abstract: The total synthesis of the pentacyclic camptothecin analogues 3 and 4 in 11 steps from p-tolualdehyde is described. The overall shape of compound 3 is the same as that of potent, naturally occurring camptothecin (1a). Despite the near spatial identity of 3 and 1b (racemic, (20RS)-camptothecin) from a three-dimensional standpoint, the 9KB and 9PS cytotoxicity ass... aid8616.table aid8616.tbin
8617 1 Title: QSAR model for drug human oral bioavailability. Abstract: The quantitative structure-bioavailability relationship of 232 structurally diverse drugs was studied to evaluate the feasibility of constructing a predictive model for the human oral bioavailability of prospective new medicinal agents. The oral bioavailability determined in human adults was assigned one of four ratings and analyzed in relation to physicochemical and structural factors by the ORMUCS (ordered multicategorical classi... aid8617.table aid8617.tbin
8618 22 Title: Bioactive 4-substituted-6-methyl-2-pyrones with promising cytotoxicity against A2780 and K562 cell lines. Abstract: Bioactive synthetic 4-substituted-6-methyl-2-pyrones are reported. Various 4-substitutents have been incorporated using Pd-catalysed carbon-carbon bond coupling procedures. Preliminary screening of the 2-pyrones against human ovarian carcinoma (A2780) and human chronic myelogenous leukaemia (K562) cell lines show that 4-alkynyl-6-methyl-2-pyrones have excellent potential as ... aid8618.table aid8618.tbin
8619 1 Title: Amino acid/spermine conjugates: polyamine amides as potent spermidine uptake inhibitors. Abstract: In this paper we describe the synthesis and characterization of a series of simple spermine/amino acid conjugates, some of which potently inhibit the uptake of spermidine into MDA-MB-231 breast cancer cells. The presence of an amide in the functionalized polyamine appeared to add to the affinity for the polyamine transporter. The extensive biological characterization of an especially potent ... aid8619.table aid8619.tbin
8620 27 Title: Syntheses of certain 3-aryl-2-propenoates and evaluation of their cytotoxicity. Abstract: A series of 3-aryl-2-propenoates including cinnamates, (E)-methyl/ethyl 3-[2-(1,4-dimethoxy-5,8-dione)naphthalenyl]-2-propenoates (8ba, 8bb) and (E)-methyl/ethyl 3-[2-(1,4-dihydroxy-9,10-dione)anthracenyl]-2-propenoates (9aa,9ab) was synthesized and evaluated for antitumor cytotoxicity. It was found that the ortho- or para-dihydroxy funtionality on the aryl ring was essential for the cytotoxicity of ... aid8620.table aid8620.tbin
8621 1 Title: S(+)-4-(1-Phenylethylamino)quinazolines as inhibitors of human immunoglobulin E synthesis: potency is dictated by stereochemistry and atomic point charges at N-1. Abstract: Since the pathogenesis of allergic diseases is associated with elevated levels of immunoglobulin E (IgE), we developed a high throughput reporter gene assay in a human B-cell line to screen for low molecular weight IgE inhibitory compounds. Monitoring the IL-4 driven IgE-germline promoter activity (IgE-GLP), we discove... aid8621.table aid8621.tbin
8622 1 Title: Novel D-ring analogues of podophyllotoxin as potent anti-cancer agents. Abstract: Several D-ring modified analogues of podophyllotoxin were prepared viz semi-synthesis starting from naturally occurring podophyllotoxin and determined their in vitro anti-cancer activity. Most of the analogues have shown good activity towards human cancer cell lines. aid8622.table aid8622.tbin
8623 3 Title: Novel D-ring analogues of podophyllotoxin as potent anti-cancer agents. Abstract: Several D-ring modified analogues of podophyllotoxin were prepared viz semi-synthesis starting from naturally occurring podophyllotoxin and determined their in vitro anti-cancer activity. Most of the analogues have shown good activity towards human cancer cell lines. aid8623.table aid8623.tbin
8624 10 Title: 9-Deoxopodophyllotoxin derivatives as anti-cancer agents. Abstract: Several 9-deoxo-9-substituted podophyllotoxin derivatives were synthesised starting from naturally occuring podophyllotoxin and their anti-cancer activity was evaluated against in vitro human cancer cell line assay. It was observed that these compounds do possess good anti-cancer activity particularly against ovarian, renal and lung cancer cell lines. aid8624.table aid8624.tbin
8625 1 Cytotoxic activity against A 498 renal cancer cell lines. aid8625.table aid8625.tbin
8626 1 Title: Phenyl selenones: alkyl transfer by selenium-carbon bond cleavage. aid8626.table aid8626.tbin
8627 54 Title: Novel erythromycin derivatives with aryl groups tethered to the C-6 position are potent protein synthesis inhibitors and active against multidrug-resistant respiratory pathogens. Abstract: A novel series of erythromycin derivatives has been discovered with potent activity against key respiratory pathogens, including those resistant to erythromycin. These compounds are characterized by having an aryl group tethered to the C-6 position of the erythronolide skeleton. Extensive structural mod... aid8627.table aid8627.tbin
8628 3 Title: Novel erythromycin derivatives with aryl groups tethered to the C-6 position are potent protein synthesis inhibitors and active against multidrug-resistant respiratory pathogens. Abstract: A novel series of erythromycin derivatives has been discovered with potent activity against key respiratory pathogens, including those resistant to erythromycin. These compounds are characterized by having an aryl group tethered to the C-6 position of the erythronolide skeleton. Extensive structural mod... aid8628.table aid8628.tbin
8629 54 Title: Novel erythromycin derivatives with aryl groups tethered to the C-6 position are potent protein synthesis inhibitors and active against multidrug-resistant respiratory pathogens. Abstract: A novel series of erythromycin derivatives has been discovered with potent activity against key respiratory pathogens, including those resistant to erythromycin. These compounds are characterized by having an aryl group tethered to the C-6 position of the erythronolide skeleton. Extensive structural mod... aid8629.table aid8629.tbin
8630 3 Title: Novel erythromycin derivatives with aryl groups tethered to the C-6 position are potent protein synthesis inhibitors and active against multidrug-resistant respiratory pathogens. Abstract: A novel series of erythromycin derivatives has been discovered with potent activity against key respiratory pathogens, including those resistant to erythromycin. These compounds are characterized by having an aryl group tethered to the C-6 position of the erythronolide skeleton. Extensive structural mod... aid8630.table aid8630.tbin
8631 7 Title: Syntheses of certain 3-aryl-2-propenoates and evaluation of their cytotoxicity. Abstract: A series of 3-aryl-2-propenoates including cinnamates, (E)-methyl/ethyl 3-[2-(1,4-dimethoxy-5,8-dione)naphthalenyl]-2-propenoates (8ba, 8bb) and (E)-methyl/ethyl 3-[2-(1,4-dihydroxy-9,10-dione)anthracenyl]-2-propenoates (9aa,9ab) was synthesized and evaluated for antitumor cytotoxicity. It was found that the ortho- or para-dihydroxy funtionality on the aryl ring was essential for the cytotoxicity of ... aid8631.table aid8631.tbin
8632 5 Title: Synthesis and antitumor activity of isodoxorubicin analogues. Abstract: The synthesis and biological activity of the new 4-demethoxyanthracyclines 15, 22, and 23 are reported. They were obtained from synthetic 9-deacetyl-9-(hydroxymethyl)-4-demethoxydaunomycinone (isopropylidene derivative 9) and from 4-azido- or 4-amino-2,4,6-trideoxy-L- lyxo-hexoses. Anthracycline 22 (hydrochloride salt), the most active compound in the series, was slightly more potent than doxorubicin in vitro against ... aid8632.table aid8632.tbin
8633 1 Title: Synthesis and antitumor activity of isodoxorubicin analogues. Abstract: The synthesis and biological activity of the new 4-demethoxyanthracyclines 15, 22, and 23 are reported. They were obtained from synthetic 9-deacetyl-9-(hydroxymethyl)-4-demethoxydaunomycinone (isopropylidene derivative 9) and from 4-azido- or 4-amino-2,4,6-trideoxy-L- lyxo-hexoses. Anthracycline 22 (hydrochloride salt), the most active compound in the series, was slightly more potent than doxorubicin in vitro against ... aid8633.table aid8633.tbin
8634 4 In vitro cytotoxicity against lung cancer A 549 cell lines aid8634.table aid8634.tbin
8635 2 Title: Two novel cytotoxic and antimicrobial triterpenoids from Pseudolarix kaempferi. Abstract: Two novel antimicrobial and cytotoxic triterpenoids, isopseudolarifuroic acids A (1) and B (2), were isolated from the bark of Pseudolarix kaempferi. The structural elucidation of two novel compounds was carried out mainly by spectroscopic methods, and also by computer modeling. Compounds 1 and 2 exhibited significant cytotoxic activities against several tumor cell lines. Compound 1 also showed most ... aid8635.table aid8635.tbin
8636 29 Title: Synthesis of new 3-arylisoquinolinamines: effect on topoisomerase I inhibition and cytotoxicity. Abstract: To investigate the structure-activity relationships of 3-arylisoquinolines, diverse substituted 3-aryisoquinolinamines were synthesized and tested in vitro antitumor activity against four tumor cell lines. Some of the compounds showed potent topoisomerase I inhibitory activity. Docking study of 7d with topoisomerase I-DNA complex was also performed. aid8636.table aid8636.tbin
8637 1 Title: Synthesis of new 3-arylisoquinolinamines: effect on topoisomerase I inhibition and cytotoxicity. Abstract: To investigate the structure-activity relationships of 3-arylisoquinolines, diverse substituted 3-aryisoquinolinamines were synthesized and tested in vitro antitumor activity against four tumor cell lines. Some of the compounds showed potent topoisomerase I inhibitory activity. Docking study of 7d with topoisomerase I-DNA complex was also performed. aid8637.table aid8637.tbin
8638 26 Title: Synthesis and cytotoxic activities of 6-chloro-7-arylamino-5,8-isoquinolinediones. Abstract: 6-Chloro-7-arylamino-5,8-isoquinolinediones were newly synthesized and evaluated for in vitro cytotoxic activities against five human solid tumor cell lines. Among them, 5b, 5c and 5d exhibited potent activities against the cell lines HCT-15 and SK-MEL-2. aid8638.table aid8638.tbin
8639 1 Title: Synthesis and biological evaluation of 3-arylisoquinolines as antitumor agents. Abstract: To investigate the structure-activity relationship of 7,8-dimethoxy-2- methyl-3-(4,5-methylenedioxy-2-vinylphenyl)isoquinolin-1(2H) -one 2, diverse substituted 3-arylisoquinolines were synthesized and tested in vitro antitumor activity against five human tumor cell lines. The results showed a broad antitumor spectrum for a series of 3-arylisoquinolines. aid8639.table aid8639.tbin
8640 22 Title: Synthesis and characterization of the antitumor activities of analogues of meridine, a marine pyridoacridine alkaloid. Abstract: Marine compounds with pyridoacridine skeletons are known to exhibit interesting antitumor activities. Among these compounds, meridine has already been reported as having significant antitumor activities in vitro. We synthesized 24 analogues of meridine substituted on ring A with the aim of obtaining compounds that display significantly higher in vitro antitumor ... aid8640.table aid8640.tbin
8641 3 Title: Synthesis and characterization of the antitumor activities of analogues of meridine, a marine pyridoacridine alkaloid. Abstract: Marine compounds with pyridoacridine skeletons are known to exhibit interesting antitumor activities. Among these compounds, meridine has already been reported as having significant antitumor activities in vitro. We synthesized 24 analogues of meridine substituted on ring A with the aim of obtaining compounds that display significantly higher in vitro antitumor ... aid8641.table aid8641.tbin
8642 15 Title: Synthesis and biological evaluation of 3-arylisoquinolines as antitumor agents. Abstract: To investigate the structure-activity relationship of 7,8-dimethoxy-2- methyl-3-(4,5-methylenedioxy-2-vinylphenyl)isoquinolin-1(2H) -one 2, diverse substituted 3-arylisoquinolines were synthesized and tested in vitro antitumor activity against five human tumor cell lines. The results showed a broad antitumor spectrum for a series of 3-arylisoquinolines. aid8642.table aid8642.tbin
8643 8 Title: Synthesis and biological evaluation of 3-arylisoquinolines as antitumor agents. Abstract: To investigate the structure-activity relationship of 7,8-dimethoxy-2- methyl-3-(4,5-methylenedioxy-2-vinylphenyl)isoquinolin-1(2H) -one 2, diverse substituted 3-arylisoquinolines were synthesized and tested in vitro antitumor activity against five human tumor cell lines. The results showed a broad antitumor spectrum for a series of 3-arylisoquinolines. aid8643.table aid8643.tbin
8644 1 Title: Nonpeptide angiotensin II receptor antagonists. Synthesis and biological activity of potential prodrugs of benzimidazole-7-carboxylic acids. Abstract: In order to improve the oral bioavailability (BA) of 2-butyl-1-[[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl]-1H-benzimid azole - 7-carboxylic acid (3: CV-11194) and 2-ethoxy-1-[[2'-(1H-tetrazol-5-yl)biphenyl-4- yl]methyl]-1H-benzimidazole-7-carboxylic acid (4: CV-11974), novel angiotensin II (AII) receptor antagonists, chemical modification ... aid8644.table aid8644.tbin
8645 1 Title: A highly potent, orally active imidazo[4,5-b]pyridine biphenylacylsulfonamide (MK-996; L-159,282): a new AT1-selective angiotensin II receptor antagonist. aid8645.table aid8645.tbin
8646 1 Title: A highly potent, orally active imidazo[4,5-b]pyridine biphenylacylsulfonamide (MK-996; L-159,282): a new AT1-selective angiotensin II receptor antagonist. aid8646.table aid8646.tbin
8647 1 Title: A highly potent, orally active imidazo[4,5-b]pyridine biphenylacylsulfonamide (MK-996; L-159,282): a new AT1-selective angiotensin II receptor antagonist. aid8647.table aid8647.tbin
8648 1 Title: A highly potent, orally active imidazo[4,5-b]pyridine biphenylacylsulfonamide (MK-996; L-159,282): a new AT1-selective angiotensin II receptor antagonist. aid8648.table aid8648.tbin
8649 1 Title: A highly potent, orally active imidazo[4,5-b]pyridine biphenylacylsulfonamide (MK-996; L-159,282): a new AT1-selective angiotensin II receptor antagonist. aid8649.table aid8649.tbin
8650 1 Title: A new anti-tubulin agent containing the benzo[b]thiophene ring system. Abstract: A new type of inhibitor of tubulin polymerization was discovered based on the 3-aroyl-2-arylbenzo[b]thiophene molecular skeleton. The lead compound in this series, 2-(4'-methoxyphenyl)-3-(3',4',5'-trimethoxybenzoyl)-6-methoxybe nzo[b]thiophene 1, inhibited tubulin polymerization, caused an increase in the mitotic index of CA46 Burkitt lymphoma cells, and inhibited the growth of several human cancer cell lines... aid8650.table aid8650.tbin
8651 21 Membrane potential change (fluorescence-based in vitro assay using DIBAC4 as indicator) in A-10 smooth muscle cell, to estimate potassium channel opening activity at 0.1 uM aid8651.table aid8651.tbin
8652 21 Membrane potential change (fluorescence-based in vitro assay using DIBAC4 as indicator) in A-10 smooth muscle cell, to estimate potassium channel opening activity at 1 uM aid8652.table aid8652.tbin
8653 21 Membrane potential change (fluorescence-based in vitro assay using DIBAC4 as indicator) in A-10 smooth muscle cell, to estimate potassium channel opening activity at 10 uM aid8653.table aid8653.tbin
8654 30 Title: 3-Aryl-2-quinolone derivatives: synthesis and characterization of in vitro and in vivo antitumor effects with emphasis on a new therapeutical target connected with cell migration. Abstract: Among 25 3-aryl-2-quinolone derivatives synthesized, the antitumor activity of some of them was characterized both in vitro and in vivo. In this series, no compound appeared to be cytotoxic in vitro, as was known by the colorimetric MTT assay carried out on 12 distinct human cancer cell lines obtained ... aid8654.table aid8654.tbin
8655 2 Title: 3-Aryl-2-quinolone derivatives: synthesis and characterization of in vitro and in vivo antitumor effects with emphasis on a new therapeutical target connected with cell migration. Abstract: Among 25 3-aryl-2-quinolone derivatives synthesized, the antitumor activity of some of them was characterized both in vitro and in vivo. In this series, no compound appeared to be cytotoxic in vitro, as was known by the colorimetric MTT assay carried out on 12 distinct human cancer cell lines obtained ... aid8655.table aid8655.tbin
8656 1 Title: 3-Aryl-2-quinolone derivatives: synthesis and characterization of in vitro and in vivo antitumor effects with emphasis on a new therapeutical target connected with cell migration. Abstract: Among 25 3-aryl-2-quinolone derivatives synthesized, the antitumor activity of some of them was characterized both in vitro and in vivo. In this series, no compound appeared to be cytotoxic in vitro, as was known by the colorimetric MTT assay carried out on 12 distinct human cancer cell lines obtained ... aid8656.table aid8656.tbin
8657 30 Title: Syntheses and structure-activity relationships of the second-generation antitumor taxoids: exceptional activity against drug-resistant cancer cells. Abstract: A series of new 3'-(2-methyl-1-propenyl) and 3'-(2-methylpropyl) taxoids with modifications at C-10 was synthesized by means of the beta-lactam synthon method using 10-modified 7-(triethylsilyl)-10-deacetylbaccatin III derivatives. The new taxoids thus synthesized show excellent cytotoxicity against human ovarian (A121), non-small-c... aid8657.table aid8657.tbin
8658 11 Title: Combretoxazolones: synthesis, cytotoxicity and antitumor activity. Abstract: Two series of combretoxazolones including 3,4-diaryloxazolones (6) and 4,5-diaryloxazolones (7) were synthesized and evaluated for cytotoxicity and antitumor activity. Both series showed strong cytotoxicities against a variety of tumor cell lines. Compound 6g exhibited a significant antitumor activity in BDF1 mice bearing B16 murine melanoma cells with inhibition rates of 67 and 61% at 100 and 30 mg/kg/day, respe... aid8658.table aid8658.tbin
8659 6 Title: High-affinity inhibitors of dihydrofolate reductase: antimicrobial and anticancer activities of 7,8-dialkyl-1,3-diaminopyrrolo[3,2-f]quinazolines with small molecular size. Abstract: A series of 7,8-dialkylpyrrolo[3,2-f]quinazolines were prepared as inhibitors of dihydrofolate reductase (DHFR). On the basis of an apparent inverse relationship between compound size and antifungal activity, the compounds were designed to be relatively small and compact. Inhibitor design was aided by GRID an... aid8659.table aid8659.tbin
8660 2 Title: Novel tricyclic poly(ADP-ribose) polymerase-1 inhibitors with potent anticancer chemopotentiating activity: design, synthesis, and X-ray cocrystal structure. Abstract: A series of novel compounds have been designed that are potent inhibitors of poly(ADP-ribose) polymerase-1 (PARP-1), and the activity and physical properties have been characterized. The new structural classes, 3,4,5,6-tetrahydro-1H-azepino[5,4,3-cd]indol-6-ones and 3,4-dihydropyrrolo[4,3,2-de]isoquinolin-5-(1H)-ones, have ... aid8660.table aid8660.tbin
8661 6 Title: Synthesis and evaluation of cryptolepine analogues for their potential as new antimalarial agents. Abstract: The indoloquinoline alkaloid cryptolepine 1 has potent in vitro antiplasmodial activity, but it is also a DNA intercalator with cytotoxic properties. We have shown that the antiplasmodial mechanism of 1 is likely to be due, at least in part, to a chloroquine-like action that does not depend on intercalation into DNA. A number of substituted analogues of 1 have been prepared that ha... aid8661.table aid8661.tbin
8662 3 Title: Synthesis and evaluation of cryptolepine analogues for their potential as new antimalarial agents. Abstract: The indoloquinoline alkaloid cryptolepine 1 has potent in vitro antiplasmodial activity, but it is also a DNA intercalator with cytotoxic properties. We have shown that the antiplasmodial mechanism of 1 is likely to be due, at least in part, to a chloroquine-like action that does not depend on intercalation into DNA. A number of substituted analogues of 1 have been prepared that ha... aid8662.table aid8662.tbin
8663 8 Title: Topoisomerase I-mediated antiproliferative activity of enantiomerically pure fluorinated homocamptothecins. Abstract: Homocamptothecin (hCPT) is an E-ring modified camptothecin (CPT) analogue bearing a methylene spacer between the alcohol and carboxyl functions of the CPT lactone. Combining pronounced inhibitory activity of topoisomerase I (Topo I) with enhanced plasma stability, hCPT constitutes an attractive template for the elaboration of new anticancer agents. Fluorinated hCPT analogu... aid8663.table aid8663.tbin
8664 13 Title: Design, synthesis and cytotoxicity of 7-deoxy aryl discodermolide analogues. Abstract: A series of 7-deoxy discodermolide analogues in which the lactone fragment 'C' was replaced by aryl substituents were designed, synthesized, and evaluated for cytotoxicity. aid8664.table aid8664.tbin
8665 22 Title: Parallel solution-phase synthesis of conformationally restricted congeners of pentamidine and evaluation of their antiplasmodial activities. Abstract: Conformationally restricted bisbenzamidines and related congeners have been synthesized and evaluated for activity against two Plasmodium falciparum strains. The most active compounds, bisbenzamidines linked by a 1,4-piperazinediyl core, had IC(50) values between 3 and 18 nM against both chloroquine-susceptible and -resistant parasites and ... aid8665.table aid8665.tbin
8666 6 Title: Synthesis and antitumor activity of 4-phenyl-1-arylsulfonyl imidazolidinones. Abstract: Novel 1-(1-benzoylindoline-5-sulfonyl)-4-phenyl-4,5-dihydroimidazolon es 3 synthesized show highly potent and broad cytotoxicities. Among them compound 3b (DW2143) exhibits much more potent cytotoxicities than doxorubicin and highly effective antitumor activities against murine (3LL, Colon 26) and human xenograft (NCI-H23, SW620) tumor models. aid8666.table aid8666.tbin
8667 5 Cytotoxicity was evaluated in vitro against A549 (non-small cell lung carcinoma) human tumor cell lines aid8667.table aid8667.tbin
8668 8 Title: Analogues of N alpha-(4-amino-4-deoxypteroyl)-N delta-hemiphthaloyl-L-ornithine (PT523) modified in the side chain: synthesis and biological evaluation. Abstract: Four heretofore undescribed side chain analogues of N alpha-(4-amino-4-deoxypteroyl)-N delta-hemiphthaloyl-L-ornithine (PT523, 4) were synthesized via straightforward methods of antifolate chemistry, and their properties were compared with those of PT523 and two related compounds with the aim of defining the contribution of the ... aid8668.table aid8668.tbin
8669 1 Title: Analogues of N alpha-(4-amino-4-deoxypteroyl)-N delta-hemiphthaloyl-L-ornithine (PT523) modified in the side chain: synthesis and biological evaluation. Abstract: Four heretofore undescribed side chain analogues of N alpha-(4-amino-4-deoxypteroyl)-N delta-hemiphthaloyl-L-ornithine (PT523, 4) were synthesized via straightforward methods of antifolate chemistry, and their properties were compared with those of PT523 and two related compounds with the aim of defining the contribution of the ... aid8669.table aid8669.tbin
8670 9 In vitro antitumor activity against A549 human NSCLC lung carcinoma cells aid8670.table aid8670.tbin
8671 34 Title: Discovery of novel and selective IKK-beta serine-threonine protein kinase inhibitors. Part 1. Abstract: IkappaB kinase beta (IKK-beta) is a serine-threonine protein kinase critically involved in the activation of the transcription factor Nuclear Factor kappa B (NF-kappaB) in response to various inflammatory stimuli. We have identified a small molecule inhibitor of IKK-beta. Optimization of the lead compound resulted in improvements in both in vitro and in vivo potency, and provided IKK-be... aid8671.table aid8671.tbin
8672 20 Title: 4-Hydroxymethyl-3-aminoacridine derivatives as a new family of anticancer agents. Abstract: 3-Amino- and 3-alkylamino-4-hydroxymethylacridines bearing various substituents on the C ring have been prepared by regioselective electrophilic aromatic substitution of the corresponding 3-aminoacridines and ring opening of the dihydrooxazinoacridine key intermediates. Most of the new compounds show potent cytotoxic activities against murine L1210 (leukemia), human A549 (lung), and HT29 (colon) ca... aid8672.table aid8672.tbin
8673 4 Title: Antitumor agents. Part 212. Bucidarasins A-C, three new cytotoxic clerodane diterpenes from Bucida buceras. Abstract: As part of a study on antitumor agents from rainforest plants, four new clerodane diterpenes, bucidarasins A--D (1-4), were isolated from Bucida buceras. Their structures were elucidated from detailed 2D NMR analyses. Compounds 1-3 showed potent cytotoxicity against human tumor cell lines with IC(50) values of 0.5-1.9 microM. The potency was retained in drug resistant line... aid8673.table aid8673.tbin
8674 9 Title: Tumor-specific novel taxoid-monoclonal antibody conjugates. Abstract: Taxoids bearing methyldisulfanyl(alkanoyl) groups for taxoid-antibody immunoconjugates were designed, synthesized and their activities evaluated. A highly cytotoxic C-10 methyldisulfanylpropanoyl taxoid was conjugated to monoclonal antibodies recognizing the epidermal growth factor receptor (EGFR) expressed in human squamous cancers. These conjugates were shown to possess remarkable target-specific antitumor activity in... aid8674.table aid8674.tbin
8675 14 Title: Regioselective synthesis and cytotoxicities of camptothecin derivatives modified at the 7-, 10- and 20-positions. Abstract: A series of 7-acyloxymethylcamptothecin and 20-O-acyl-7-acyloxymethylcamptothecin derivatives were regioselectively prepared on different solvents. 7-Acyloxymethylcamptothecins possess more efficacy than 20-O-acyl-7-acyloxymethylcamptothecins against six human cancer cell lines in vitro. aid8675.table aid8675.tbin
8676 18 Title: Synthesis and antitumor evaluation of new thiazolo[5,4-b]quinoline derivatives. Abstract: A new synthesis of 9-hydroxy- and 9-(alkylamino)thiazolo[5,4-b]quinolines by cyclization of 4-(ethoxycarbonyl)-5-(arylamino)thiazoles and 5-(arylamino)-4-carbamoylthiazoles, respectively, is described. In vitro cytotoxicity of a large number of derivatives of these compounds has been tested against several cell lines. The highest activities observed are associated with the presence of a 2-[[(N,N-diet... aid8676.table aid8676.tbin
8677 2 Title: Synthesis and biological activity of sulfonamide derivatives of epipodophyllotoxin. Abstract: A series of novel 4beta-substituted sulfonamide derivatives of 4'-O-demethyl-4-desoxypodophyllotoxin has been synthesized. Their effects on human DNA topoisomerase II and, in some cases, on tubulin polymerization were evaluated. Compounds 8a, 8c, 8f, 8g, 8n, 8q, 8r, and 8s and the synthetic precursor 4 are potent topoisomerase II poisons that induce double-stranded breaks in DNA, with either impr... aid8677.table aid8677.tbin
8678 2 Title: Enantioselective synthesis and antiproliferative properties of an ilmofosine analog, 2'-(trimethylammonio)ethyl 3-(hexadecyloxy)-2-(methoxymethyl)propyl phosphate, on epithelial cancer cell growth. Abstract: An asymmetric synthesis of the 1-alkyloxy analog of the thioether phosphocholine ilmofosine (BM 41.440, rac-1), 2'-(trimethylammonio)ethyl 3-(hexadecyloxy)-2-(methoxymethyl)propyl phosphate (2), is described. Stereoselectivity was obtained in an asymmetric hydroboration-oxidation sequ... aid8678.table aid8678.tbin
8679 1 Title: Enantioselective synthesis and antiproliferative properties of an ilmofosine analog, 2'-(trimethylammonio)ethyl 3-(hexadecyloxy)-2-(methoxymethyl)propyl phosphate, on epithelial cancer cell growth. Abstract: An asymmetric synthesis of the 1-alkyloxy analog of the thioether phosphocholine ilmofosine (BM 41.440, rac-1), 2'-(trimethylammonio)ethyl 3-(hexadecyloxy)-2-(methoxymethyl)propyl phosphate (2), is described. Stereoselectivity was obtained in an asymmetric hydroboration-oxidation sequ... aid8679.table aid8679.tbin
8680 15 Title: Synthesis and structure-activity relationships of nonaromatic taxoids: effects of alkyl and alkenyl ester groups on cytotoxicity. Abstract: Several new nonaromatic taxoids are synthesized by means of the beta-lactam synthon method. These include taxoids modified with 3-methylbut-2-enoate, 3-methylbutanoate, and cyclohexanecarboxylate groups in place of the benzoate at the C-2 position. In addition, taxoids with 2-methylprop-1-enyl, 2-methylpropyl, (E)-prop-1-enyl, and cyclohexyl groups at... aid8680.table aid8680.tbin
8681 12 Title: Antitumor polycyclic acridines. 7. Synthesis and biological properties of DNA affinic tetra- and pentacyclic acridines. Abstract: New synthetic routes to a series of tetra- and pentacyclic acridines related in structure to marine natural products are reported. The novel water-soluble agent dihydroindolizino[7,6,5-kl]acridinium chloride 14 has inhibitory activity in a panel of non-small-cell lung and breast tumor cell lines exceeding that of m-AMSA. The salt inhibited the release of minici... aid8681.table aid8681.tbin
8682 2 Title: Synthesis and evaluation of the antiproliferative effects of 1-O-hexadecyl-2-O-methyl-3-O-(2'-acetamido-2'-deoxy-beta-D- glucopyranosyl)-sn-glycerol and 1-O-hexadecyl-2-O-methyl-3-0- (2'-amino-2'-deoxy-beta-D-glucopyranosyl)-sn-glycerol on epithelial cancer cell growth. Abstract: Two ether glucosyl diglyceride analogs were synthesized, and their antiproliferative activity against four epithelial cancer cell lines was evaluated. 1-O-Hexadecyl-2-O-methyl-3-O-(2'-acetamido-2'-deoxy-beta-D- g... aid8682.table aid8682.tbin
8683 1 Title: Synthesis and modeling studies with monocyclic analogues of mycophenolic acid. Abstract: Two stepwise procedures, developed for the introduction of the (E)-4-methyl-4-hexenoic acid side chain of mycophenolic acid, were used in the synthesis of monocyclic mycophenolic acid analogues 2a-i. The derivatives with a methyl group or hydrogen at C-4 and lacking the lactone moiety were much less cytotoxic than mycophenolic acid. The monocyclic analogues with a C-4 chloro group did show some activi... aid8683.table aid8683.tbin
8684 12 Title: Synthesis and cytotoxicity of 2alpha-amido docetaxel analogues. Abstract: Various 2-amido docetaxel analogues were prepared and evaluated for their cytotoxicities. Among them, m-methoxy and m-chlorobenzoylamido analogues were most active but not superior to docetaxel and paclitaxel, and D-seco analogues inactive. Change of 2-benzoate to 2-benzamide may not improve their activities to drug-resistant cell lines. aid8684.table aid8684.tbin
8685 11 Title: Synthesis and cytotoxicity of 2alpha-amido docetaxel analogues. Abstract: Various 2-amido docetaxel analogues were prepared and evaluated for their cytotoxicities. Among them, m-methoxy and m-chlorobenzoylamido analogues were most active but not superior to docetaxel and paclitaxel, and D-seco analogues inactive. Change of 2-benzoate to 2-benzamide may not improve their activities to drug-resistant cell lines. aid8685.table aid8685.tbin
8686 1 Title: Synthesis and cytotoxicity of 2alpha-amido docetaxel analogues. Abstract: Various 2-amido docetaxel analogues were prepared and evaluated for their cytotoxicities. Among them, m-methoxy and m-chlorobenzoylamido analogues were most active but not superior to docetaxel and paclitaxel, and D-seco analogues inactive. Change of 2-benzoate to 2-benzamide may not improve their activities to drug-resistant cell lines. aid8686.table aid8686.tbin
8687 2 Title: Phenanthroindolizidine alkaloids as cytotoxic substances in a Danaid butterfly, Ideopsis similis, against human cancer cells. Abstract: We previously reported the presence of cytotoxic substances in extracts of the Danaid butterfly, Ideopsis similis. In the present study, we isolated cytotoxic substances against a human gastric cancer cell line, TMK-1, in I. similis pupae, with an activity similar to that of the adult butterfly. The basic fraction, prepared from a methanol extract, accoun... aid8687.table aid8687.tbin
8688 17 Title: Synthesis and biological evaluation of new selective cytotoxic cyclolignans derived from podophyllotoxin. Abstract: Podophyllotoxin and some of its derivatives are cyclolignans currently used for removing warts and in the clinical treatment of malign neoplasms. As such, they have been an objective of the scientific community for decades, in the search for more potent and more selective anticancer agents. Our interest in the chemoinduction of drug selectivity led us to the design and prepa... aid8688.table aid8688.tbin
8689 3 Title: Shikonin derivatives: synthesis and inhibition of human telomerase. Abstract: We synthesized DL-shikonin, shikonin, alkanin, and their cyclo-derivatives and acyl-derivatives. These compounds have low cytotoxicity, as well as inhibitory activity against the telomerase enzyme, except cyclo-derivatives. aid8689.table aid8689.tbin
8690 28 Title: 2-[2'-(Dimethylamino)ethyl]-1,2-dihydro- 3H-dibenz[de,h]isoquinoline-1,3-diones with substituents at positions 4, 8, 9, 10, and 11. Synthesis, antitumor activity, and quantitative structure-activity relationships. Abstract: New 2-[2'-(dimethylamino)ethyl]-1,2-dihydro-3H-dibenz[de,h]isoquinoline-1,3- diones with substituents at the 4, 8, 9, 10, and 11 positions were synthesized. Diazonium salts prepared from aminoazonafides were key intermediates for many of the analogues. Six of the new c... aid8690.table aid8690.tbin
8691 4 Title: Diaminopurine-acridine heterodimers for specific recognition of abasic site containing DNA. Influence on the biological activity of the position of the linker on the purine ring. Abstract: Three acridine-diaminopurine heterodimers tethered by a linker containing an N,N'-substituted guanidine were prepared. The molecules differ by the site of introduction of the linker on the 2,6-diaminopurine. The interactions of the new heterodimers with abasic site containing oligonucleotide were compar... aid8691.table aid8691.tbin
8692 2 Title: Benzobicyclooctanes as novel inhibitors of TNF-alpha signaling. Abstract: A novel series of TNF-alpha inhibitors based on a benzobicyclooctane scaffold is reported. The compounds display good potency in inhibiting TNF-alpha induced apoptosis and NF kappa B activation. Additionally, they are selective for TNF-alpha as they do not inhibit apoptosis induced by soluble Fas ligand. The compounds described here can act as leads for future medicinal chemistry efforts and may also be useful tools... aid8692.table aid8692.tbin
8693 2 Title: Benzobicyclooctanes as novel inhibitors of TNF-alpha signaling. Abstract: A novel series of TNF-alpha inhibitors based on a benzobicyclooctane scaffold is reported. The compounds display good potency in inhibiting TNF-alpha induced apoptosis and NF kappa B activation. Additionally, they are selective for TNF-alpha as they do not inhibit apoptosis induced by soluble Fas ligand. The compounds described here can act as leads for future medicinal chemistry efforts and may also be useful tools... aid8693.table aid8693.tbin
8694 7 Title: Conformationally restricted analogues of 1N,12N-bisethylspermine: synthesis and growth inhibitory effects on human tumor cell lines. Abstract: Eight analogues of 1N,12N-bisethylspermine (BES) with restricted conformations were synthesized in the search for new spermine mimetics with cytotoxic activities. By replacing the central butane segment of BES with a 1,2-disubstituted cyclopropane ring, a pair of cis/trans-isomers was obtained that introduced a spatial constraint in the otherwise f... aid8694.table aid8694.tbin
8695 2 Title: Cytotoxic Michael-type amine adducts of alpha-methylene lactones alantolactone and isoalantolactone. Abstract: Two series of cytotoxic (IC50, K562 cell line, 1-24 microM) alpha-aminomethyl substituted lactones 3 and 4 were prepared by stereoselective Michael-type addition of amines to alantolactone (1) and isoalantolactone (2). The lactones 1 and 2 and their amine adducts induce apoptosis and act as alkylating agents. aid8695.table aid8695.tbin
8696 4 Inhibitory activity against A549 cell line; inactive aid8696.table aid8696.tbin
8697 3 Title: Benzobicyclooctanes as novel inhibitors of TNF-alpha signaling. Abstract: A novel series of TNF-alpha inhibitors based on a benzobicyclooctane scaffold is reported. The compounds display good potency in inhibiting TNF-alpha induced apoptosis and NF kappa B activation. Additionally, they are selective for TNF-alpha as they do not inhibit apoptosis induced by soluble Fas ligand. The compounds described here can act as leads for future medicinal chemistry efforts and may also be useful tools... aid8697.table aid8697.tbin
8698 7 Title: Benzobicyclooctanes as novel inhibitors of TNF-alpha signaling. Abstract: A novel series of TNF-alpha inhibitors based on a benzobicyclooctane scaffold is reported. The compounds display good potency in inhibiting TNF-alpha induced apoptosis and NF kappa B activation. Additionally, they are selective for TNF-alpha as they do not inhibit apoptosis induced by soluble Fas ligand. The compounds described here can act as leads for future medicinal chemistry efforts and may also be useful tools... aid8698.table aid8698.tbin
8699 8 Title: Benzobicyclooctanes as novel inhibitors of TNF-alpha signaling. Abstract: A novel series of TNF-alpha inhibitors based on a benzobicyclooctane scaffold is reported. The compounds display good potency in inhibiting TNF-alpha induced apoptosis and NF kappa B activation. Additionally, they are selective for TNF-alpha as they do not inhibit apoptosis induced by soluble Fas ligand. The compounds described here can act as leads for future medicinal chemistry efforts and may also be useful tools... aid8699.table aid8699.tbin
8700 1 Title: Asymmetric synthesis and antitumor activity of cycloalkanin. Abstract: Cycloalkanin was accessible by a practical and efficient asymmetric synthesis. The chiral center of the target is introduced via an asymmetric C-arylation of chiral aldehyde in high de. The synthesized cycloalkanin was shown to be significantly active against P388 cell line as assayed by in vitro MIT method. aid8700.table aid8700.tbin
8701 1 Title: Asymmetric synthesis and antitumor activity of cycloalkanin. Abstract: Cycloalkanin was accessible by a practical and efficient asymmetric synthesis. The chiral center of the target is introduced via an asymmetric C-arylation of chiral aldehyde in high de. The synthesized cycloalkanin was shown to be significantly active against P388 cell line as assayed by in vitro MIT method. aid8701.table aid8701.tbin
8702 1 Title: Asymmetric synthesis and antitumor activity of cycloalkanin. Abstract: Cycloalkanin was accessible by a practical and efficient asymmetric synthesis. The chiral center of the target is introduced via an asymmetric C-arylation of chiral aldehyde in high de. The synthesized cycloalkanin was shown to be significantly active against P388 cell line as assayed by in vitro MIT method. aid8702.table aid8702.tbin
8703 1 Title: Asymmetric synthesis and antitumor activity of cycloalkanin. Abstract: Cycloalkanin was accessible by a practical and efficient asymmetric synthesis. The chiral center of the target is introduced via an asymmetric C-arylation of chiral aldehyde in high de. The synthesized cycloalkanin was shown to be significantly active against P388 cell line as assayed by in vitro MIT method. aid8703.table aid8703.tbin
8704 1 Title: Asymmetric synthesis and antitumor activity of cycloalkanin. Abstract: Cycloalkanin was accessible by a practical and efficient asymmetric synthesis. The chiral center of the target is introduced via an asymmetric C-arylation of chiral aldehyde in high de. The synthesized cycloalkanin was shown to be significantly active against P388 cell line as assayed by in vitro MIT method. aid8704.table aid8704.tbin
8705 4 Title: Antitumor agents. Part 226: synthesis and cytotoxicity of 2-phenyl-4-quinolone acetic acids and their esters. Abstract: 2-Phenyl-4-quinolone acetic acids and their esters were synthesized and evaluated for interaction with tubulin and for cytotoxicity against a panel of human tumor cell lines. 2-Phenyl- and 2-(2'-fluorophenyl)-4-quinolone-8-acetic acids (11 and 12) displayed potent cytotoxicity with ED(50) values at nanomolar concentrations, but had minimal activity against tubulin polyme... aid8705.table aid8705.tbin
8706 2 Title: NR2B-selective N-methyl-D-aspartate antagonists: synthesis and evaluation of 5-substituted benzimidazoles. Abstract: Two classes of 5-substituted benzimidazoles were identified as potent antagonists of the NR2B subtype of the N-methyl-d-aspartate (NMDA) receptor. Selected compounds show very good selectivity versus the NR2A, NR2C, and NR2D subtypes of the NMDA receptor as well as versus hERG-channel activity and alpha(1)-adrenergic binding. Benzimidazole 37a shows excellent activity in th... aid8706.table aid8706.tbin
8707 6 Title: Non-peptide alpha(v)beta(3) antagonists: identification of potent, chain-shortened RGD mimetics that incorporate a central pyrrolidinone constraint. Abstract: Antagonists of the integrin receptor alpha(v)beta(3) are expected to have utility in the treatment of osteoporosis through inhibition of bone resorption. A series of potent, chain-shortened, pyrrolidinone-containing alpha(v)beta(3) receptor antagonists is described. Two sets of diasteromeric pairs of high-affinity antagonists demons... aid8707.table aid8707.tbin
8708 7 Title: Non-peptide alphavbeta3 antagonists. Part 6: design and synthesis of alphavbeta3 antagonists containing a pyridone or pyrazinone central scaffold. Abstract: Two novel series of small-molecule RGD mimetics containing either a substituted pyridone or pyrazinone central constraint were prepared. Modification of the beta-alanine 3-substituent produced compounds that are potent and selective alpha(v)beta(3) antagonists and exhibit a range of physicochemical properties. aid8708.table aid8708.tbin
8709 7 Title: Non-peptide alphavbeta3 antagonists. Part 6: design and synthesis of alphavbeta3 antagonists containing a pyridone or pyrazinone central scaffold. Abstract: Two novel series of small-molecule RGD mimetics containing either a substituted pyridone or pyrazinone central constraint were prepared. Modification of the beta-alanine 3-substituent produced compounds that are potent and selective alpha(v)beta(3) antagonists and exhibit a range of physicochemical properties. aid8709.table aid8709.tbin
8710 2 Title: Identification of potent and selective oxytocin antagonists. Part 2: further investigation of benzofuran derivatives. Abstract: The paper covers continuing efforts to discover novel, potent and selective oxytocin antagonists. Further benzofuran derivatives with potent oxytocin antagonist activity and good pharmacokinetic parameters are reported. Efforts to improve the in vivo activity of the series are described. aid8710.table aid8710.tbin
8711 2 Title: Amidinohydrazones as guanidine bioisosteres: application to a new class of potent, selective and orally bioavailable, non-amide-based small-molecule thrombin inhibitors. Abstract: We describe a new class of potent, non-amide-based small molecule thrombin inhibitors in which an amidinohydrazone is used as a guanidine bioisostere on a non-peptide scaffold. Compound 4 exhibits nM inhibition of thrombin, is selective for thrombin, and shows 60 and 23% bioavailability in rabbits and dogs, resp... aid8711.table aid8711.tbin
8712 16 Title: Identification of potent and selective oxytocin antagonists. Part 1: indole and benzofuran derivatives. Abstract: Studies to discover novel, potent and selective oxytocin antagonists are reported. Combinatorial libraries designed to find novel replacements of fragments of oxytocin antagonist L-371,257, identified pyrimidine, thiazole, indole and benzofuran as potential alternatives to the benzoic acid moiety of L-371,257. Additional investigations identified indole and benzofuran derivati... aid8712.table aid8712.tbin
8713 4 Title: Isoxazolines and isoxazoles as factor Xa inhibitors. Abstract: 3,4,5-Trisubstituted isoxazolines (2) and isoxazoles (3) were prepared and evaluated for their in vitro and in vivo antithrombotic efficacy. They were compared to 3,5,5-trisubstituted isoxazolines (1) for Factor Xa selectivity and potency. They were also compared in an arterio-venous (A-V) shunt model of thrombosis. aid8713.table aid8713.tbin
8714 6 Title: Non-peptide alpha(v)beta(3) antagonists. Part 4: potent and orally bioavailable chain-shortened RGD mimetics. Abstract: Potent non-peptidic alpha(v)beta(3) antagonists have been prepared where deletion of an amide bond from an earlier series of linear RGD-mimetics provides a novel series of chain-shortened alpha(v)beta(3) antagonists with significantly improved oral pharmacokinetics. These chain-shortened alpha(v)beta(3) antagonists represent structurally novel integrin inhibitors. aid8714.table aid8714.tbin
8715 3 Title: Structure-based design and synthesis of non-nucleoside, potent, and orally bioavailable adenosine deaminase inhibitors. Abstract: We disclose optimization efforts based on the novel non-nucleoside adenosine deaminase (ADA) inhibitor, 4 (K(i) = 680 nM). Structure-based drug design utilizing the crystal structure of the 4/ADA complex led to discovery of 5 (K(i) = 11 nM, BA = 30% in rats). Furthermore, from metabolic considerations, we discovered two inhibitors with improved oral bioavailabi... aid8715.table aid8715.tbin
8716 2 Title: Nonbenzamidine isoxazoline derivatives as factor Xa inhibitors. Abstract: Factor Xa (fXa) is an important serine protease in the blood coagulation cascade. Inhibition of fXa has emerged as an attractive target for potential therapeutic applications in the treatments of both arterial and venous thrombosis. Herein, we describe a series of non-benzamidine isoxazoline derivatives as fXa inhibitors. The chloroaniline group was found to be the most potent benzamidine mimic in this series. Chlor... aid8716.table aid8716.tbin
8717 1 Title: Nonbenzamidine isoxazoline derivatives as factor Xa inhibitors. Abstract: Factor Xa (fXa) is an important serine protease in the blood coagulation cascade. Inhibition of fXa has emerged as an attractive target for potential therapeutic applications in the treatments of both arterial and venous thrombosis. Herein, we describe a series of non-benzamidine isoxazoline derivatives as fXa inhibitors. The chloroaniline group was found to be the most potent benzamidine mimic in this series. Chlor... aid8717.table aid8717.tbin
8718 1 Plasma clearance in dog aid8718.table aid8718.tbin
8719 2 Title: Syntheses and structure-activity relationship studies of piperidine-substituted quinolones as nonpeptide gonadotropin releasing hormone antagonists. Abstract: Syntheses and structure-activity relationships of piperidine-substituted quinolones as nonpeptide gonadotropin releasing hormone antagonists are described. Some of substituents on the piperidine ring that were investigated included a fused phenyl group, a (6R)-trifluoromethyl group, (6S) and (6R)-methyl group. This study showed that... aid8719.table aid8719.tbin
8720 1 Title: Design and synthesis of orally active inhibitors of TNF synthesis as anti-rheumatoid arthritis drugs. Abstract: A novel series of TNF inhibitors was identified based on the screening of existing MMP inhibitor libraries. Further SAR optimization led to the discovery of a novel lead compound. Its synthesis, efficacy in experimental animal models, and pharmacokinetic data are discussed. aid8720.table aid8720.tbin
8721 1 Title: 4-Amino cyclohexylglycine analogues as potent dipeptidyl peptidase IV inhibitors. Abstract: Substituted 4-amino cyclohexylglycine analogues were evaluated for DP-IV inhibitory properties. Bis-sulfonamide 15e was an extremely potent 2.6 nM inhibitor of the enzyme with excellent selectivity over all counterscreens. 2,4-difluorobenzenesulfonamide 15b and 1-naphthyl amide 16b, however, combined an acceptable in vitro profile with good pharmacokinetic properties in the rat, and 15b was orally ... aid8721.table aid8721.tbin
8722 3 Title: Substituted acrylamides as factor Xa inhibitors: improving bioavailability by P1 modification. Abstract: To overcome the low bioavailability of our substituted acrylamide P1 benzamidine factor Xa inhibitors reported previously, neutral and less basic groups were used to replace the benzamidine. As a result, a series of P1 aminoisoquinoline substituted acrylamide Xa inhibitors was identified to be potent, selective, and orally bioavailable. Modification of P4 moiety of these compounds furt... aid8722.table aid8722.tbin
8723 6 Title: Structure-activity relationship investigations of a potent and selective benzodiazepine oxytocin antagonist. Abstract: We have investigated the structure-activity relationships of the 1- and 3-substituents and replacements of the 5-phenyl group of GW405212X 1, a potent selective oxytocin antagonist. The effect of these modifications on oxytocin binding antagonism and on pharmacokinetic parameters is reported. aid8723.table aid8723.tbin
8724 1 Title: (2R)-2-ethylchromane-2-carboxylic acids: discovery of novel PPARalpha/gamma dual agonists as antihyperglycemic and hypolipidemic agents. Abstract: A series of chromane-2-carboxylic acid derivatives was synthesized and evaluated for PPAR agonist activities. A structure-activity relationship was developed toward PPARalpha/gamma dual agonism. As a result, (2R)-7-(3-[2-chloro-4-(4-fluorophenoxy)phenoxy]propoxy)-2-ethylchromane-2-carboxylic acid (48) was identified as a potent, structurally no... aid8724.table aid8724.tbin
8725 1 Title: The discovery of sulfonylated dipeptides as potent VLA-4 antagonists. Abstract: Directed screening of a carboxylic acid-containing combinatorial library led to the discovery of potent inhibitors of the integrin VLA-4. Subsequent optimization by solid-phase synthesis afforded a series of sulfonylated dipeptide inhibitors with structural components that when combined in a single hybrid molecule gave a sub-nanomolar inhibitor as a lead for medicinal chemistry. Preliminary metabolic studies l... aid8725.table aid8725.tbin
8726 5 Title: Pyran-containing sulfonamide hydroxamic acids: potent MMP inhibitors that spare MMP-1. Abstract: The SAR of a series of sterically hindered sulfonamide hydroxamic acids with relatively large P1' groups is described. The compounds typically spare MMP-1 while being potent inhibitors of MMP-13. The metabolically more stable compounds in the series contain either a monocyclic or bicyclic pyran ring adjacent to the hydroxamate group. Despite the sparing of MMP-1, pre-clinical and clinical stud... aid8726.table aid8726.tbin
8727 1 Title: Pharmacokinetic optimization of 3-amino-6-chloropyrazinone acetamide thrombin inhibitors. Implementation of P3 pyridine N-oxides to deliver an orally bioavailable series containing P1 N-benzylamides. Abstract: In this manuscript we demonstrate that a modification principally directed toward the improvement of the aqueous solubility (i.e., introduction a P3 pyridine N-oxide) of the previous lead compound afforded a new series of potent orally bioavailable P1 N-benzylamide thrombin inhibito... aid8727.table aid8727.tbin
8728 3 Title: Pharmacokinetic optimization of 3-amino-6-chloropyrazinone acetamide thrombin inhibitors. Implementation of P3 pyridine N-oxides to deliver an orally bioavailable series containing P1 N-benzylamides. Abstract: In this manuscript we demonstrate that a modification principally directed toward the improvement of the aqueous solubility (i.e., introduction a P3 pyridine N-oxide) of the previous lead compound afforded a new series of potent orally bioavailable P1 N-benzylamide thrombin inhibito... aid8728.table aid8728.tbin
8729 1 Title: Discovery, SAR, synthesis, pharmacokinetic and biochemical characterization of A-192411: a novel fungicidal lipopeptide-(I). Abstract: The echinocandin class of cyclic lipopeptides has been simplified to discover potent antifungal compounds. Namely A-192411 shows good in vitro activity against common pathogenic yeasts and has an acceptable safety window in vivo. Discovery, limited SAR, synthesis, biochemical and pharmaco-dynamic profiles of A-192411 are presented. aid8729.table aid8729.tbin
8730 4 Title: Novel CCR1 antagonists with improved metabolic stability. Abstract: The synthesis, biological activity, and pharmacokinetic profile of novel CCR1 antagonists are described. aid8730.table aid8730.tbin
8731 1 Title: Discovery of zoniporide: a potent and selective sodium-hydrogen exchanger type 1 (NHE-1) inhibitor with high aqueous solubility. Abstract: Zoniporide (CP-597,396) is a potent and selective inhibitor of NHE-1, which exhibits high aqueous solubility and acceptable pharmacokinetics for intravenous administration. The discovery, synthesis, activities, and rat and dog pharmacokinetics of this compound are presented. The potency and selectivity of zoniporide may be due to the conformation that ... aid8731.table aid8731.tbin
8732 2 Title: 1,3,4-Trisubstituted pyrrolidine CCR5 receptor antagonists. Part 2: lead optimization affording selective, orally bioavailable compounds with potent anti-HIV activity. Abstract: Investigations of the structure-activity relationships of 1,3,4-trisubstituted pyrrolidine human CCR5 receptor antagonists afforded orally bioavailable compounds with the ability to inhibit HIV replication in vitro. aid8732.table aid8732.tbin
8733 6 Title: 2-Arylindoles as gonadotropin releasing hormone (GnRH) antagonists: optimization of the tryptamine side chain. Abstract: A series of 2-arylindoles containing novel heteroaromatic substituents on the tryptamine tether, based on compound 1, was prepared and evaluated for their ability to act as gonadotropin releasing hormone (GnRH) antagonists. Successful modifications of 1 included chain length variation (reduction) and replacement of the pyridine with heteroaromatic groups. These alterati... aid8733.table aid8733.tbin
8734 1 Title: p38 Inhibitors: piperidine- and 4-aminopiperidine-substituted naphthyridinones, quinolinones, and dihydroquinazolinones. Abstract: We have synthesized a series of C7-piperidine- and 4-aminopiperidine-substituted naphthyridinones, quinolinones, and dihydroquinazolinones that are highly potent inhibitors of both p38MAP kinase activity and TNF-alpha release. The 4-aminopentamethylpiperidine naphthyridinone 5, which was designed to block metabolism at major 'hot spots', combined excellent inh... aid8734.table aid8734.tbin
8735 1 Title: The discovery of a potent, intracellular, orally bioavailable, long duration inhibitor of human neutrophil elastase--GW311616A a development candidate. Abstract: The discovery of a potent intracellular inhibitor of human neutrophil elastase which is orally active and has a long duration of action is described. The pharmacodynamic and pharmacokinetic properties of a trans-lactam development candidate, GW311616A, are described. aid8735.table aid8735.tbin
8736 2 Title: 1,3,4-Trisubstituted pyrrolidine CCR5 receptor antagonists. Part 4: synthesis of N-1 acidic functionality affording analogues with enhanced antiviral activity against HIV. Abstract: A series of alpha-(pyrrolidin-1-yl)acetic acids is presented as selective and potent antivirals against HIV. Several of the pyrrolidine zwitterions demonstrated reasonable in vitro properties, enhanced antiviral activities and improved pharmacokinetic profiles over pyrrolidine 1. aid8736.table aid8736.tbin
8737 11 Title: Design, synthesis, and biological activity of 4-[(4-cyano-2-arylbenzyloxy)-(3-methyl-3H-imidazol-4-yl)methyl]benzonitriles as potent and selective farnesyltransferase inhibitors. Abstract: A novel series of 4-[(4-cyano-2-arylbenzyloxy)-(3-methyl-3H-imidazol-4-yl)methyl]benzonitriles have been synthesized as selective farnesyltransferase inhibitors using structure-based design. X-ray cocrystal structures of compound 20-FTase-HFP and A313326-FTase-HFP confirmed our initial design. The decre... aid8737.table aid8737.tbin
8738 1 Title: Design, synthesis, and biological activity of 4-[(4-cyano-2-arylbenzyloxy)-(3-methyl-3H-imidazol-4-yl)methyl]benzonitriles as potent and selective farnesyltransferase inhibitors. Abstract: A novel series of 4-[(4-cyano-2-arylbenzyloxy)-(3-methyl-3H-imidazol-4-yl)methyl]benzonitriles have been synthesized as selective farnesyltransferase inhibitors using structure-based design. X-ray cocrystal structures of compound 20-FTase-HFP and A313326-FTase-HFP confirmed our initial design. The decre... aid8738.table aid8738.tbin
8739 1 Title: 1,3,4-Trisubstituted pyrrolidine CCR5 receptor antagonists. Part 4: synthesis of N-1 acidic functionality affording analogues with enhanced antiviral activity against HIV. Abstract: A series of alpha-(pyrrolidin-1-yl)acetic acids is presented as selective and potent antivirals against HIV. Several of the pyrrolidine zwitterions demonstrated reasonable in vitro properties, enhanced antiviral activities and improved pharmacokinetic profiles over pyrrolidine 1. aid8739.table aid8739.tbin
8740 6 Title: Antagonists of human CCR5 receptor containing 4-(pyrazolyl)piperidine side chains. Part 3: SAR studies on the benzylpyrazole segment. Abstract: Extensive SAR studies in our benzylpyrazole series of CCR5 antagonists have shown that both lipophilic and hydrophilic substituents on the phenyl of the benzyl group increase antiviral potency. However, improvements in pharmacokinetic profiles were generally only observed with more lipophilic substitutions. 4-Biphenyl (51) performed the best in th... aid8740.table aid8740.tbin
8741 2 Title: Antagonists of human CCR5 receptor containing 4-(pyrazolyl)piperidine side chains. Part 2: Discovery of potent, selective, and orally bioavailable compounds. Abstract: Modifications of the alkyl acetic acid portion and the phenyl on pyrrolidine in our lead pyrazole compound 1 afforded the isopropyl compound 9. This compound is a potent CCR5 antagonist showing good in vitro antiviral activity against HIV-1, an excellent selectivity profile, and good oral bioavailability in three animal spe... aid8741.table aid8741.tbin
8742 2 Title: Antagonists of human CCR5 receptor containing 4-(pyrazolyl)piperidine side chains. Part 3: SAR studies on the benzylpyrazole segment. Abstract: Extensive SAR studies in our benzylpyrazole series of CCR5 antagonists have shown that both lipophilic and hydrophilic substituents on the phenyl of the benzyl group increase antiviral potency. However, improvements in pharmacokinetic profiles were generally only observed with more lipophilic substitutions. 4-Biphenyl (51) performed the best in th... aid8742.table aid8742.tbin
8743 3 Title: 1,3,4-Trisubstituted pyrrolidine CCR5 receptor antagonists: modifications of the arylpropylpiperidine side chains. Abstract: The 4-(3-phenylprop-1-yl)piperidine moiety of the 1,3,4-trisubstituted pyrrolidine CCR5 antagonist 1 was modified with electron deficient aromatics as well as replacement of the benzylic methylene with sulfones, gem-difluoromethylenes and alcohols in an effort to balance the antiviral potency with reasonable pharmacokinetics. aid8743.table aid8743.tbin
8744 2 Title: 1,3,4-Trisubstituted pyrrolidine CCR5 receptor antagonists: modifications of the arylpropylpiperidine side chains. Abstract: The 4-(3-phenylprop-1-yl)piperidine moiety of the 1,3,4-trisubstituted pyrrolidine CCR5 antagonist 1 was modified with electron deficient aromatics as well as replacement of the benzylic methylene with sulfones, gem-difluoromethylenes and alcohols in an effort to balance the antiviral potency with reasonable pharmacokinetics. aid8744.table aid8744.tbin
8745 1 Title: 1,3,4-Trisubstituted pyrrolidine CCR5 receptor antagonists: modifications of the arylpropylpiperidine side chains. Abstract: The 4-(3-phenylprop-1-yl)piperidine moiety of the 1,3,4-trisubstituted pyrrolidine CCR5 antagonist 1 was modified with electron deficient aromatics as well as replacement of the benzylic methylene with sulfones, gem-difluoromethylenes and alcohols in an effort to balance the antiviral potency with reasonable pharmacokinetics. aid8745.table aid8745.tbin
8746 1 Title: 1,3,4-Trisubstituted pyrrolidine CCR5 receptor antagonists: modifications of the arylpropylpiperidine side chains. Abstract: The 4-(3-phenylprop-1-yl)piperidine moiety of the 1,3,4-trisubstituted pyrrolidine CCR5 antagonist 1 was modified with electron deficient aromatics as well as replacement of the benzylic methylene with sulfones, gem-difluoromethylenes and alcohols in an effort to balance the antiviral potency with reasonable pharmacokinetics. aid8746.table aid8746.tbin
8747 1 Title: Discovery and characterization of the potent, selective and orally bioavailable MMP inhibitor ABT-770. Abstract: Modification of the biphenyl portion of MMP inhibitor 2a gave analogue 2i which is greater than 1000-fold selective against MMP-2 versus MMP-1. The stereospecific synthesis of both enantiomers of 2i was achieved beginning with (S)- or (R)-benzyl glycidyl ether. The (S)-enantiomer, 11 (ABT-770), is orally bioavailable and efficacious in an in vivo model of tumor growth. aid8747.table aid8747.tbin
8748 1 Title: Fluoropyrrolidine amides as dipeptidyl peptidase IV inhibitors. Abstract: Amides derived from fluorinated pyrrolidines and 4-substituted cyclohexylglycine analogues have been prepared and evaluated as inhibitors of dipeptidyl dipeptidase IV (DP-IV). Analogues which incorporated (S)-3-fluoropyrrolidine showed good selectivity for DP-IV over quiescent cell proline dipeptidase (QPP). Compound 48 had good pharmacokinetic properties and was orally active in an oral glucose tolerance test in le... aid8748.table aid8748.tbin
8749 1 Title: N-isonicotinoyl-(L)-4-aminophenylalanine derivatives as tight binding VLA-4 antagonists. Abstract: A series of isonicotinoyl-(L)-aminophenylalanine derivatives was prepared and evaluated as VLA-4 antagonists. These compounds exhibit subnanomolar binding affinity to VLA-4 and significant off-rates. The interplay between off-rate, protein binding and pharmacokinetics is discussed. aid8749.table aid8749.tbin
8750 1 Title: A-420983: a potent, orally active inhibitor of lck with efficacy in a model of transplant rejection. Abstract: We have identified the pyrazolo[3,4-d]pyrimidine A-420983 (compound 7) as a potent inhibitor of lck. A-420983 exhibits oral efficacy in animal models of delayed-type hypersensitivity and organ transplant rejection. aid8750.table aid8750.tbin
8751 1 Title: Imidazo[4,5-c]pyridines as corticotropin releasing factor receptor ligands. Abstract: A series of high affinity CRF receptor ligands with an imidazo[4,5-c]pyridine core is described. Individual analogues were synthesized and tested in vitro in rat brain receptors to determine binding affinity. The best compound was further tested in the dog N-in-1 pharmacokinetic model to assess oral bioavailability at 1 mg/kg po. aid8751.table aid8751.tbin
8752 17 Title: Discovery of a potent, selective and orally active canine COX-2 inhibitor, 2-(3-difluoromethyl-5-phenyl-pyrazol-1-yl)-5-methanesulfonyl-pyridine. Abstract: Structure-activity relationship (SAR) studies of 2-[3-di(and tri)fluoromethyl-5-arylpyrazol-1-yl]-5-methanesulfonylpyridine derivatives for canine COX enzymes are described. This led to the identification of 12a as a lead candidate for further progression. The in vitro and in vivo activity of 12a for the canine COX-2 enzyme as well as ... aid8752.table aid8752.tbin
8753 1 Title: Tiplaxtinin, a novel, orally efficacious inhibitor of plasminogen activator inhibitor-1: design, synthesis, and preclinical characterization. Abstract: Indole oxoacetic acid derivatives were prepared and evaluated for in vitro binding to and inactivation of human plasminogen activator inhibitor-1 (PAI-1). SAR based on biochemical, physiological, and pharmacokinetic attributes led to identification of tiplaxtinin as the optimal selective PAI-1 inhibitor. Tiplaxtinin exhibited in vivo oral ... aid8753.table aid8753.tbin
8754 1 Title: Tiplaxtinin, a novel, orally efficacious inhibitor of plasminogen activator inhibitor-1: design, synthesis, and preclinical characterization. Abstract: Indole oxoacetic acid derivatives were prepared and evaluated for in vitro binding to and inactivation of human plasminogen activator inhibitor-1 (PAI-1). SAR based on biochemical, physiological, and pharmacokinetic attributes led to identification of tiplaxtinin as the optimal selective PAI-1 inhibitor. Tiplaxtinin exhibited in vivo oral ... aid8754.table aid8754.tbin
8755 7 Title: HIV-1 protease inhibitors with picomolar potency against PI-resistant HIV-1 by modification of the P1' substituent. Abstract: Transposition of the pyridyl nitrogen from the P(3) substituent to the P(1)' substituent in HIV-1 protease inhibitors (PI) affords compounds such as 3 with an improved inhibitory profile against multiple P450 isoforms. These compounds also displayed increased potency, with 3 inhibiting viral spread (CIC(95)) at &lt;8 nM for every strain of PI-resistant HIV-1 tested... aid8755.table aid8755.tbin
8756 1 Title: Optimization of the indolyl quinolinone class of KDR (VEGFR-2) kinase inhibitors: effects of 5-amido- and 5-sulphonamido-indolyl groups on pharmacokinetics and hERG binding. Abstract: Modifications to the basic side-chain of early lead structures of the indolyl quinolinone class of KDR kinase inhibitors resulted in improved pharmacokinetic and ancillary profiles. Specifically, compounds bearing 5-amido- and 5-sulphonamido-indolyl substituents exhibited lower plasma clearance and weaker bi... aid8756.table aid8756.tbin
8757 2 Title: Optimization of the indolyl quinolinone class of KDR (VEGFR-2) kinase inhibitors: effects of 5-amido- and 5-sulphonamido-indolyl groups on pharmacokinetics and hERG binding. Abstract: Modifications to the basic side-chain of early lead structures of the indolyl quinolinone class of KDR kinase inhibitors resulted in improved pharmacokinetic and ancillary profiles. Specifically, compounds bearing 5-amido- and 5-sulphonamido-indolyl substituents exhibited lower plasma clearance and weaker bi... aid8757.table aid8757.tbin
8758 2 Cmax in plasma was determined upon peroral administration of 10.0 mg/Kg dose in dog aid8758.table aid8758.tbin
8759 5 Title: Oxyguanidines. Part 2: Discovery of a novel orally active thrombin inhibitor through structure-based drug design and parallel synthesis. Abstract: Through structure-based drug design and parallel synthesis, we have discovered a novel series of nonpeptidic phenyl-based thrombin inhibitors using oxyguanidines as guanidine bioisosteres. These compounds have been found to be highly potent, highly selective, and orally bioavailable. aid8759.table aid8759.tbin
8760 2 Title: HIV protease inhibitors with picomolar potency against PI-Resistant HIV-1 by extension of the P3 substituent. Abstract: A biaryl pyridylfuran P(3) substituent on the hydroxyethylene isostere scaffold affords HIV protease inhibitors (PI's) with picomolar (IC(50)) potency against the protease enzymes from PI-resistant HIV-1 strains. Inclusion of a gem-dimethyl substituent afforded compound 3 with 100% oral bioavailability (dogs) and more than double the t(1/2) of indinavir. Inhibition of mu... aid8760.table aid8760.tbin
8761 1 Title: HIV protease inhibitors with picomolar potency against PI-Resistant HIV-1 by extension of the P3 substituent. Abstract: A biaryl pyridylfuran P(3) substituent on the hydroxyethylene isostere scaffold affords HIV protease inhibitors (PI's) with picomolar (IC(50)) potency against the protease enzymes from PI-resistant HIV-1 strains. Inclusion of a gem-dimethyl substituent afforded compound 3 with 100% oral bioavailability (dogs) and more than double the t(1/2) of indinavir. Inhibition of mu... aid8761.table aid8761.tbin
8762 2 Title: HIV protease inhibitors with picomolar potency against PI-Resistant HIV-1 by extension of the P3 substituent. Abstract: A biaryl pyridylfuran P(3) substituent on the hydroxyethylene isostere scaffold affords HIV protease inhibitors (PI's) with picomolar (IC(50)) potency against the protease enzymes from PI-resistant HIV-1 strains. Inclusion of a gem-dimethyl substituent afforded compound 3 with 100% oral bioavailability (dogs) and more than double the t(1/2) of indinavir. Inhibition of mu... aid8762.table aid8762.tbin
8763 1 Title: Muscarinic M(3) receptor antagonists with (2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxyphenylacetamide Structures. Part 2. Abstract: Optimization of the amine part of our original muscarinic M(3) receptor antagonist 1 was performed to identify M(3) receptor antagonists that are superior to 1. Compounds carrying a variety of diamine moieties without hydrophobic substituent on the nitrogen atom were screened against the binding affinity for the M(3) receptor and the selectivity for M(3) o... aid8763.table aid8763.tbin
8764 1 Title: N-(cycloalkylamino)acyl-2-aminothiazole inhibitors of cyclin-dependent kinase 2. N-[5-[[[5-(1,1-dimethylethyl)-2-oxazolyl]methyl]thio]-2-thiazolyl]-4- piperidinecarboxamide (BMS-387032), a highly efficacious and selective antitumor agent. Abstract: N-Acyl-2-aminothiazoles with nonaromatic acyl side chains containing a basic amine were found to be potent, selective inhibitors of CDK2/cycE which exhibit antitumor activity in mice. In particular, compound 21 [N-[5-[[[5-(1,1-dimethylethyl)-2-... aid8764.table aid8764.tbin
8765 4 Title: Azaindoles: moderately basic P1 groups for enhancing the selectivity of thrombin inhibitors. Abstract: Starting from a 2-amino-6-methylpyridine P1 group and following a strategy of enlarging it whilst reducing its polarity, we have developed a series of potent, moderately basic azaindoles which are intrinsically much more selective for thrombin versus trypsin. Certain pyrazinone acetamide azaindole derivatives have pharmacokinetic parameters after oral administration to dogs, or efficacy ... aid8765.table aid8765.tbin
8766 1 Title: Azaindoles: moderately basic P1 groups for enhancing the selectivity of thrombin inhibitors. Abstract: Starting from a 2-amino-6-methylpyridine P1 group and following a strategy of enlarging it whilst reducing its polarity, we have developed a series of potent, moderately basic azaindoles which are intrinsically much more selective for thrombin versus trypsin. Certain pyrazinone acetamide azaindole derivatives have pharmacokinetic parameters after oral administration to dogs, or efficacy ... aid8766.table aid8766.tbin
8767 1 Title: A prodrug approach to COX-2 inhibitors with methylsulfone. Abstract: 2,2-dimethyl-4-phenyl-5-[4-(methylsulfinyl)phenyl]-3(2H)furanone derivatives, 3 and 6, were shown to be effectively transformed in vivo into the corresponding methylsulfone derivatives 1 and 4, when orally administered to rats. Pharmacological implications for use of sulfoxide analogues 3 and 6 are discussed as prodrugs to potent selective COX-2 inhibitors 1 and 4. aid8767.table aid8767.tbin
8768 1 Title: Structure-based design, synthesis, and biological evaluation of irreversible human rhinovirus 3C protease inhibitors. 6. Structure-activity studies of orally bioavailable, 2-pyridone-containing peptidomimetics. Abstract: The structure-based design, chemical synthesis, and biological evaluation of various 2-pyridone-containing human rhinovirus (HRV) 3C protease (3CP) inhibitors are described. These compounds are comprised of a peptidomimetic binding determinant and a Michael acceptor moiet... aid8768.table aid8768.tbin
8769 4 Title: Synthesis and biological distribution of radiolabeled ammineruthenium (III)-amino acid complexes as potential pancreatic imaging agents. Abstract: Complexes of ammine[103Ru]ruthenium(III) with L-histidine, beta-(4-pyridyl)-alpha-alanine, and S-[beta-(4-pyridyl)ethyl]-L-cysteine were synthesized in low specific activity and evaluated in mice as potential radiodiagnostic agents for pancreatic imaging. The biological distribution of each complex was determined in normal mice at 15 min, 1 h, ... aid8769.table aid8769.tbin
8770 4 Title: Synthesis and biological distribution of radiolabeled ammineruthenium (III)-amino acid complexes as potential pancreatic imaging agents. Abstract: Complexes of ammine[103Ru]ruthenium(III) with L-histidine, beta-(4-pyridyl)-alpha-alanine, and S-[beta-(4-pyridyl)ethyl]-L-cysteine were synthesized in low specific activity and evaluated in mice as potential radiodiagnostic agents for pancreatic imaging. The biological distribution of each complex was determined in normal mice at 15 min, 1 h, ... aid8770.table aid8770.tbin
8771 4 Title: Synthesis and biological distribution of radiolabeled ammineruthenium (III)-amino acid complexes as potential pancreatic imaging agents. Abstract: Complexes of ammine[103Ru]ruthenium(III) with L-histidine, beta-(4-pyridyl)-alpha-alanine, and S-[beta-(4-pyridyl)ethyl]-L-cysteine were synthesized in low specific activity and evaluated in mice as potential radiodiagnostic agents for pancreatic imaging. The biological distribution of each complex was determined in normal mice at 15 min, 1 h, ... aid8771.table aid8771.tbin
8772 4 Title: Synthesis and biological distribution of radiolabeled ammineruthenium (III)-amino acid complexes as potential pancreatic imaging agents. Abstract: Complexes of ammine[103Ru]ruthenium(III) with L-histidine, beta-(4-pyridyl)-alpha-alanine, and S-[beta-(4-pyridyl)ethyl]-L-cysteine were synthesized in low specific activity and evaluated in mice as potential radiodiagnostic agents for pancreatic imaging. The biological distribution of each complex was determined in normal mice at 15 min, 1 h, ... aid8772.table aid8772.tbin
8773 4 Title: Synthesis and biological distribution of radiolabeled ammineruthenium (III)-amino acid complexes as potential pancreatic imaging agents. Abstract: Complexes of ammine[103Ru]ruthenium(III) with L-histidine, beta-(4-pyridyl)-alpha-alanine, and S-[beta-(4-pyridyl)ethyl]-L-cysteine were synthesized in low specific activity and evaluated in mice as potential radiodiagnostic agents for pancreatic imaging. The biological distribution of each complex was determined in normal mice at 15 min, 1 h, ... aid8773.table aid8773.tbin
8774 4 Title: Synthesis and biological distribution of radiolabeled ammineruthenium (III)-amino acid complexes as potential pancreatic imaging agents. Abstract: Complexes of ammine[103Ru]ruthenium(III) with L-histidine, beta-(4-pyridyl)-alpha-alanine, and S-[beta-(4-pyridyl)ethyl]-L-cysteine were synthesized in low specific activity and evaluated in mice as potential radiodiagnostic agents for pancreatic imaging. The biological distribution of each complex was determined in normal mice at 15 min, 1 h, ... aid8774.table aid8774.tbin
8775 4 Title: Synthesis and biological distribution of radiolabeled ammineruthenium (III)-amino acid complexes as potential pancreatic imaging agents. Abstract: Complexes of ammine[103Ru]ruthenium(III) with L-histidine, beta-(4-pyridyl)-alpha-alanine, and S-[beta-(4-pyridyl)ethyl]-L-cysteine were synthesized in low specific activity and evaluated in mice as potential radiodiagnostic agents for pancreatic imaging. The biological distribution of each complex was determined in normal mice at 15 min, 1 h, ... aid8775.table aid8775.tbin
8776 4 Title: Synthesis and biological distribution of radiolabeled ammineruthenium (III)-amino acid complexes as potential pancreatic imaging agents. Abstract: Complexes of ammine[103Ru]ruthenium(III) with L-histidine, beta-(4-pyridyl)-alpha-alanine, and S-[beta-(4-pyridyl)ethyl]-L-cysteine were synthesized in low specific activity and evaluated in mice as potential radiodiagnostic agents for pancreatic imaging. The biological distribution of each complex was determined in normal mice at 15 min, 1 h, ... aid8776.table aid8776.tbin
8777 4 Title: Synthesis and biological distribution of radiolabeled ammineruthenium (III)-amino acid complexes as potential pancreatic imaging agents. Abstract: Complexes of ammine[103Ru]ruthenium(III) with L-histidine, beta-(4-pyridyl)-alpha-alanine, and S-[beta-(4-pyridyl)ethyl]-L-cysteine were synthesized in low specific activity and evaluated in mice as potential radiodiagnostic agents for pancreatic imaging. The biological distribution of each complex was determined in normal mice at 15 min, 1 h, ... aid8777.table aid8777.tbin
8778 4 Title: Synthesis and biological distribution of radiolabeled ammineruthenium (III)-amino acid complexes as potential pancreatic imaging agents. Abstract: Complexes of ammine[103Ru]ruthenium(III) with L-histidine, beta-(4-pyridyl)-alpha-alanine, and S-[beta-(4-pyridyl)ethyl]-L-cysteine were synthesized in low specific activity and evaluated in mice as potential radiodiagnostic agents for pancreatic imaging. The biological distribution of each complex was determined in normal mice at 15 min, 1 h, ... aid8778.table aid8778.tbin
8779 4 Title: Synthesis and biological distribution of radiolabeled ammineruthenium (III)-amino acid complexes as potential pancreatic imaging agents. Abstract: Complexes of ammine[103Ru]ruthenium(III) with L-histidine, beta-(4-pyridyl)-alpha-alanine, and S-[beta-(4-pyridyl)ethyl]-L-cysteine were synthesized in low specific activity and evaluated in mice as potential radiodiagnostic agents for pancreatic imaging. The biological distribution of each complex was determined in normal mice at 15 min, 1 h, ... aid8779.table aid8779.tbin
8780 4 Title: Synthesis and biological distribution of radiolabeled ammineruthenium (III)-amino acid complexes as potential pancreatic imaging agents. Abstract: Complexes of ammine[103Ru]ruthenium(III) with L-histidine, beta-(4-pyridyl)-alpha-alanine, and S-[beta-(4-pyridyl)ethyl]-L-cysteine were synthesized in low specific activity and evaluated in mice as potential radiodiagnostic agents for pancreatic imaging. The biological distribution of each complex was determined in normal mice at 15 min, 1 h, ... aid8780.table aid8780.tbin
8781 4 Title: Synthesis and biological distribution of radiolabeled ammineruthenium (III)-amino acid complexes as potential pancreatic imaging agents. Abstract: Complexes of ammine[103Ru]ruthenium(III) with L-histidine, beta-(4-pyridyl)-alpha-alanine, and S-[beta-(4-pyridyl)ethyl]-L-cysteine were synthesized in low specific activity and evaluated in mice as potential radiodiagnostic agents for pancreatic imaging. The biological distribution of each complex was determined in normal mice at 15 min, 1 h, ... aid8781.table aid8781.tbin
8782 4 Title: Synthesis and biological distribution of radiolabeled ammineruthenium (III)-amino acid complexes as potential pancreatic imaging agents. Abstract: Complexes of ammine[103Ru]ruthenium(III) with L-histidine, beta-(4-pyridyl)-alpha-alanine, and S-[beta-(4-pyridyl)ethyl]-L-cysteine were synthesized in low specific activity and evaluated in mice as potential radiodiagnostic agents for pancreatic imaging. The biological distribution of each complex was determined in normal mice at 15 min, 1 h, ... aid8782.table aid8782.tbin
8783 4 Title: Synthesis and biological distribution of radiolabeled ammineruthenium (III)-amino acid complexes as potential pancreatic imaging agents. Abstract: Complexes of ammine[103Ru]ruthenium(III) with L-histidine, beta-(4-pyridyl)-alpha-alanine, and S-[beta-(4-pyridyl)ethyl]-L-cysteine were synthesized in low specific activity and evaluated in mice as potential radiodiagnostic agents for pancreatic imaging. The biological distribution of each complex was determined in normal mice at 15 min, 1 h, ... aid8783.table aid8783.tbin
8784 4 Title: Synthesis and biological distribution of radiolabeled ammineruthenium (III)-amino acid complexes as potential pancreatic imaging agents. Abstract: Complexes of ammine[103Ru]ruthenium(III) with L-histidine, beta-(4-pyridyl)-alpha-alanine, and S-[beta-(4-pyridyl)ethyl]-L-cysteine were synthesized in low specific activity and evaluated in mice as potential radiodiagnostic agents for pancreatic imaging. The biological distribution of each complex was determined in normal mice at 15 min, 1 h, ... aid8784.table aid8784.tbin
8785 4 Title: Synthesis and biological distribution of radiolabeled ammineruthenium (III)-amino acid complexes as potential pancreatic imaging agents. Abstract: Complexes of ammine[103Ru]ruthenium(III) with L-histidine, beta-(4-pyridyl)-alpha-alanine, and S-[beta-(4-pyridyl)ethyl]-L-cysteine were synthesized in low specific activity and evaluated in mice as potential radiodiagnostic agents for pancreatic imaging. The biological distribution of each complex was determined in normal mice at 15 min, 1 h, ... aid8785.table aid8785.tbin
8786 4 Title: Synthesis and biological distribution of radiolabeled ammineruthenium (III)-amino acid complexes as potential pancreatic imaging agents. Abstract: Complexes of ammine[103Ru]ruthenium(III) with L-histidine, beta-(4-pyridyl)-alpha-alanine, and S-[beta-(4-pyridyl)ethyl]-L-cysteine were synthesized in low specific activity and evaluated in mice as potential radiodiagnostic agents for pancreatic imaging. The biological distribution of each complex was determined in normal mice at 15 min, 1 h, ... aid8786.table aid8786.tbin
8787 4 Title: Synthesis and biological distribution of radiolabeled ammineruthenium (III)-amino acid complexes as potential pancreatic imaging agents. Abstract: Complexes of ammine[103Ru]ruthenium(III) with L-histidine, beta-(4-pyridyl)-alpha-alanine, and S-[beta-(4-pyridyl)ethyl]-L-cysteine were synthesized in low specific activity and evaluated in mice as potential radiodiagnostic agents for pancreatic imaging. The biological distribution of each complex was determined in normal mice at 15 min, 1 h, ... aid8787.table aid8787.tbin
8788 4 Title: Synthesis and biological distribution of radiolabeled ammineruthenium (III)-amino acid complexes as potential pancreatic imaging agents. Abstract: Complexes of ammine[103Ru]ruthenium(III) with L-histidine, beta-(4-pyridyl)-alpha-alanine, and S-[beta-(4-pyridyl)ethyl]-L-cysteine were synthesized in low specific activity and evaluated in mice as potential radiodiagnostic agents for pancreatic imaging. The biological distribution of each complex was determined in normal mice at 15 min, 1 h, ... aid8788.table aid8788.tbin
8789 4 Title: Synthesis and biological distribution of radiolabeled ammineruthenium (III)-amino acid complexes as potential pancreatic imaging agents. Abstract: Complexes of ammine[103Ru]ruthenium(III) with L-histidine, beta-(4-pyridyl)-alpha-alanine, and S-[beta-(4-pyridyl)ethyl]-L-cysteine were synthesized in low specific activity and evaluated in mice as potential radiodiagnostic agents for pancreatic imaging. The biological distribution of each complex was determined in normal mice at 15 min, 1 h, ... aid8789.table aid8789.tbin
8790 4 Title: Synthesis and biological distribution of radiolabeled ammineruthenium (III)-amino acid complexes as potential pancreatic imaging agents. Abstract: Complexes of ammine[103Ru]ruthenium(III) with L-histidine, beta-(4-pyridyl)-alpha-alanine, and S-[beta-(4-pyridyl)ethyl]-L-cysteine were synthesized in low specific activity and evaluated in mice as potential radiodiagnostic agents for pancreatic imaging. The biological distribution of each complex was determined in normal mice at 15 min, 1 h, ... aid8790.table aid8790.tbin
8791 4 Title: Synthesis and biological distribution of radiolabeled ammineruthenium (III)-amino acid complexes as potential pancreatic imaging agents. Abstract: Complexes of ammine[103Ru]ruthenium(III) with L-histidine, beta-(4-pyridyl)-alpha-alanine, and S-[beta-(4-pyridyl)ethyl]-L-cysteine were synthesized in low specific activity and evaluated in mice as potential radiodiagnostic agents for pancreatic imaging. The biological distribution of each complex was determined in normal mice at 15 min, 1 h, ... aid8791.table aid8791.tbin
8792 4 Title: Synthesis and biological distribution of radiolabeled ammineruthenium (III)-amino acid complexes as potential pancreatic imaging agents. Abstract: Complexes of ammine[103Ru]ruthenium(III) with L-histidine, beta-(4-pyridyl)-alpha-alanine, and S-[beta-(4-pyridyl)ethyl]-L-cysteine were synthesized in low specific activity and evaluated in mice as potential radiodiagnostic agents for pancreatic imaging. The biological distribution of each complex was determined in normal mice at 15 min, 1 h, ... aid8792.table aid8792.tbin
8793 4 Title: Synthesis and biological distribution of radiolabeled ammineruthenium (III)-amino acid complexes as potential pancreatic imaging agents. Abstract: Complexes of ammine[103Ru]ruthenium(III) with L-histidine, beta-(4-pyridyl)-alpha-alanine, and S-[beta-(4-pyridyl)ethyl]-L-cysteine were synthesized in low specific activity and evaluated in mice as potential radiodiagnostic agents for pancreatic imaging. The biological distribution of each complex was determined in normal mice at 15 min, 1 h, ... aid8793.table aid8793.tbin
8794 4 Title: Synthesis and biological distribution of radiolabeled ammineruthenium (III)-amino acid complexes as potential pancreatic imaging agents. Abstract: Complexes of ammine[103Ru]ruthenium(III) with L-histidine, beta-(4-pyridyl)-alpha-alanine, and S-[beta-(4-pyridyl)ethyl]-L-cysteine were synthesized in low specific activity and evaluated in mice as potential radiodiagnostic agents for pancreatic imaging. The biological distribution of each complex was determined in normal mice at 15 min, 1 h, ... aid8794.table aid8794.tbin
8795 4 Title: Synthesis and biological distribution of radiolabeled ammineruthenium (III)-amino acid complexes as potential pancreatic imaging agents. Abstract: Complexes of ammine[103Ru]ruthenium(III) with L-histidine, beta-(4-pyridyl)-alpha-alanine, and S-[beta-(4-pyridyl)ethyl]-L-cysteine were synthesized in low specific activity and evaluated in mice as potential radiodiagnostic agents for pancreatic imaging. The biological distribution of each complex was determined in normal mice at 15 min, 1 h, ... aid8795.table aid8795.tbin
8796 4 Title: Synthesis and biological distribution of radiolabeled ammineruthenium (III)-amino acid complexes as potential pancreatic imaging agents. Abstract: Complexes of ammine[103Ru]ruthenium(III) with L-histidine, beta-(4-pyridyl)-alpha-alanine, and S-[beta-(4-pyridyl)ethyl]-L-cysteine were synthesized in low specific activity and evaluated in mice as potential radiodiagnostic agents for pancreatic imaging. The biological distribution of each complex was determined in normal mice at 15 min, 1 h, ... aid8796.table aid8796.tbin
8797 4 Title: Synthesis and biological distribution of radiolabeled ammineruthenium (III)-amino acid complexes as potential pancreatic imaging agents. Abstract: Complexes of ammine[103Ru]ruthenium(III) with L-histidine, beta-(4-pyridyl)-alpha-alanine, and S-[beta-(4-pyridyl)ethyl]-L-cysteine were synthesized in low specific activity and evaluated in mice as potential radiodiagnostic agents for pancreatic imaging. The biological distribution of each complex was determined in normal mice at 15 min, 1 h, ... aid8797.table aid8797.tbin
8798 4 Title: Synthesis and biological distribution of radiolabeled ammineruthenium (III)-amino acid complexes as potential pancreatic imaging agents. Abstract: Complexes of ammine[103Ru]ruthenium(III) with L-histidine, beta-(4-pyridyl)-alpha-alanine, and S-[beta-(4-pyridyl)ethyl]-L-cysteine were synthesized in low specific activity and evaluated in mice as potential radiodiagnostic agents for pancreatic imaging. The biological distribution of each complex was determined in normal mice at 15 min, 1 h, ... aid8798.table aid8798.tbin
8799 4 Title: Synthesis and biological distribution of radiolabeled ammineruthenium (III)-amino acid complexes as potential pancreatic imaging agents. Abstract: Complexes of ammine[103Ru]ruthenium(III) with L-histidine, beta-(4-pyridyl)-alpha-alanine, and S-[beta-(4-pyridyl)ethyl]-L-cysteine were synthesized in low specific activity and evaluated in mice as potential radiodiagnostic agents for pancreatic imaging. The biological distribution of each complex was determined in normal mice at 15 min, 1 h, ... aid8799.table aid8799.tbin
8800 4 Title: Synthesis and biological distribution of radiolabeled ammineruthenium (III)-amino acid complexes as potential pancreatic imaging agents. Abstract: Complexes of ammine[103Ru]ruthenium(III) with L-histidine, beta-(4-pyridyl)-alpha-alanine, and S-[beta-(4-pyridyl)ethyl]-L-cysteine were synthesized in low specific activity and evaluated in mice as potential radiodiagnostic agents for pancreatic imaging. The biological distribution of each complex was determined in normal mice at 15 min, 1 h, ... aid8800.table aid8800.tbin
8801 4 Title: Synthesis and biological distribution of radiolabeled ammineruthenium (III)-amino acid complexes as potential pancreatic imaging agents. Abstract: Complexes of ammine[103Ru]ruthenium(III) with L-histidine, beta-(4-pyridyl)-alpha-alanine, and S-[beta-(4-pyridyl)ethyl]-L-cysteine were synthesized in low specific activity and evaluated in mice as potential radiodiagnostic agents for pancreatic imaging. The biological distribution of each complex was determined in normal mice at 15 min, 1 h, ... aid8801.table aid8801.tbin
8802 4 Title: Synthesis and biological distribution of radiolabeled ammineruthenium (III)-amino acid complexes as potential pancreatic imaging agents. Abstract: Complexes of ammine[103Ru]ruthenium(III) with L-histidine, beta-(4-pyridyl)-alpha-alanine, and S-[beta-(4-pyridyl)ethyl]-L-cysteine were synthesized in low specific activity and evaluated in mice as potential radiodiagnostic agents for pancreatic imaging. The biological distribution of each complex was determined in normal mice at 15 min, 1 h, ... aid8802.table aid8802.tbin
8803 4 Title: Synthesis and biological distribution of radiolabeled ammineruthenium (III)-amino acid complexes as potential pancreatic imaging agents. Abstract: Complexes of ammine[103Ru]ruthenium(III) with L-histidine, beta-(4-pyridyl)-alpha-alanine, and S-[beta-(4-pyridyl)ethyl]-L-cysteine were synthesized in low specific activity and evaluated in mice as potential radiodiagnostic agents for pancreatic imaging. The biological distribution of each complex was determined in normal mice at 15 min, 1 h, ... aid8803.table aid8803.tbin
8804 4 Title: Synthesis and biological distribution of radiolabeled ammineruthenium (III)-amino acid complexes as potential pancreatic imaging agents. Abstract: Complexes of ammine[103Ru]ruthenium(III) with L-histidine, beta-(4-pyridyl)-alpha-alanine, and S-[beta-(4-pyridyl)ethyl]-L-cysteine were synthesized in low specific activity and evaluated in mice as potential radiodiagnostic agents for pancreatic imaging. The biological distribution of each complex was determined in normal mice at 15 min, 1 h, ... aid8804.table aid8804.tbin
8805 4 Title: Synthesis and biological distribution of radiolabeled ammineruthenium (III)-amino acid complexes as potential pancreatic imaging agents. Abstract: Complexes of ammine[103Ru]ruthenium(III) with L-histidine, beta-(4-pyridyl)-alpha-alanine, and S-[beta-(4-pyridyl)ethyl]-L-cysteine were synthesized in low specific activity and evaluated in mice as potential radiodiagnostic agents for pancreatic imaging. The biological distribution of each complex was determined in normal mice at 15 min, 1 h, ... aid8805.table aid8805.tbin
8806 15 Cytotoxicity against A-172 human tumor cell lines aid8806.table aid8806.tbin
8807 7 Compound was evaluated for the in vitro cytotoxicity against A-172 human glioblastoma cell line aid8807.table aid8807.tbin
8808 5 Antiproliferative activity of compound was tested against rhabdomyosarcoma (A-204) human tumor cells aid8808.table aid8808.tbin
8809 1 Title: Design, synthesis and antiproliferative activity of tripentones: a new series of antitubulin agents. Abstract: Structure-activity relationship studies of a new series of tripentones (thieno[2,3-b]pyrrolizin-8-ones), led us to prepare several derivatives with antiproliferative activities. The most promising 3-(3-hydroxy-4-methoxyphenyl)thieno[2,3-b]pyrrolizin-8-one 20 (leukemia L1210, IC(50)=15 nM) was shown to be a potent inhibitor of tubulin polymerization. aid8809.table aid8809.tbin
8810 2 Inhibitory concentration against melanoma A-375 cell line for cytotoxicity was determined aid8810.table aid8810.tbin
8811 4 Title: Nucleosides and nucleotides. 122. 2'-C-cyano-2'-deoxy-1-beta-D-arabinofuranosylcytosine and its derivatives. A new class of nucleoside with a broad antitumor spectrum. Abstract: Design, synthesis, and tumor cell growth inhibitory effects of 2'-C-cyano-2'-deoxy-1-beta-D-arabinofuranosyl derivatives of cytosine (1i, CNDAC), thymine (6a), uracil (6c), and adenine (6d) have been described. The synthesis of the target compounds was achieved from the corresponding 2'-keto nucleosides 2a-d. Cyan... aid8811.table aid8811.tbin
8812 30 Title: 3-Aryl-2-quinolone derivatives: synthesis and characterization of in vitro and in vivo antitumor effects with emphasis on a new therapeutical target connected with cell migration. Abstract: Among 25 3-aryl-2-quinolone derivatives synthesized, the antitumor activity of some of them was characterized both in vitro and in vivo. In this series, no compound appeared to be cytotoxic in vitro, as was known by the colorimetric MTT assay carried out on 12 distinct human cancer cell lines obtained ... aid8812.table aid8812.tbin
8813 2 Title: 3-Aryl-2-quinolone derivatives: synthesis and characterization of in vitro and in vivo antitumor effects with emphasis on a new therapeutical target connected with cell migration. Abstract: Among 25 3-aryl-2-quinolone derivatives synthesized, the antitumor activity of some of them was characterized both in vitro and in vivo. In this series, no compound appeared to be cytotoxic in vitro, as was known by the colorimetric MTT assay carried out on 12 distinct human cancer cell lines obtained ... aid8813.table aid8813.tbin
8814 17 Title: Synthesis and in vitro antitumor activity of novel ring D analogues of the marine pyridoacridine ascididemin: structure-activity relationship. Abstract: Marine compounds with pyridoacridine skeletons are known to exhibit interesting antitumor activities. Ascididemin has already been reported as displaying significant antitumor activities in vitro and has also been found to have a relatively high global toxicity in vivo. We synthesized a series of 16 analogues (among which 11 compounds wer... aid8814.table aid8814.tbin
8815 1 Title: 3-Aryl-2-quinolone derivatives: synthesis and characterization of in vitro and in vivo antitumor effects with emphasis on a new therapeutical target connected with cell migration. Abstract: Among 25 3-aryl-2-quinolone derivatives synthesized, the antitumor activity of some of them was characterized both in vitro and in vivo. In this series, no compound appeared to be cytotoxic in vitro, as was known by the colorimetric MTT assay carried out on 12 distinct human cancer cell lines obtained ... aid8815.table aid8815.tbin
8816 2 Title: Synthesis and biological activity of an acyclic analogue of 5,6,7,8-tetrahydrofolic acid, N-[4-[[3-(2,4-diamino-1,6-dihydro-6-oxo-5- pyrimidinyl)propyl]amino]-benzoyl]-L-glutamic acid. Abstract: The synthesis and biological evaluation of N-[4-[[3-(2,4-diamino-1,6-dihydro-6-oxo-5-pyrimidinyl)propyl]amino]- benzoyl]-L-glutamic acid (1) (5-DACTHF, 543U76), an acyclic analogue of 5,6,7,8-tetrahydrofolic acid (THFA), are described. The key intermediate, hemiaminal 8, was prepared in four stage... aid8816.table aid8816.tbin
8817 3 Title: Synthesis and structure-activity relationships of 3-substituted 1,4-dihydro-4-oxo-1-(2-thiazolyl)-1,8-naphthyridines as novel antitumor agents. Abstract: In order to obtain clinically useful antitumor agent, we have designed and synthesized various 3-substituted 1,4-dihydro-4-oxo-1-(2-thiazolyl)-1,8-naphthyridines, and evaluated their cytotoxic activity. The series of novel 3-substituted derivatives synthesized in this study showed good antitumor activity against murine P388 leukemia. Par... aid8817.table aid8817.tbin
8818 17 Title: Synthesis and in vitro antitumor activity of phenanthrolin-7-one derivatives, analogues of the marine pyridoacridine alkaloids ascididemin and meridine: structure-activity relationship. Abstract: A series of substituted pyrido[4,3,2-de][1,7] or [1,10]-phenanthrolin-7-ones, analogues of the marine pyridoacridines meridine and ascididemin, have been synthesized on the basis of Diels-Alder reactions involving different quinoline-5,8-diones and N,N-aldehyde-dimethylhydrazones. All the compoun... aid8818.table aid8818.tbin
8819 22 Title: Synthesis and characterization of the antitumor activities of analogues of meridine, a marine pyridoacridine alkaloid. Abstract: Marine compounds with pyridoacridine skeletons are known to exhibit interesting antitumor activities. Among these compounds, meridine has already been reported as having significant antitumor activities in vitro. We synthesized 24 analogues of meridine substituted on ring A with the aim of obtaining compounds that display significantly higher in vitro antitumor ... aid8819.table aid8819.tbin
8820 3 Title: Synthesis and characterization of the antitumor activities of analogues of meridine, a marine pyridoacridine alkaloid. Abstract: Marine compounds with pyridoacridine skeletons are known to exhibit interesting antitumor activities. Among these compounds, meridine has already been reported as having significant antitumor activities in vitro. We synthesized 24 analogues of meridine substituted on ring A with the aim of obtaining compounds that display significantly higher in vitro antitumor ... aid8820.table aid8820.tbin
8821 3 Title: Synthesis and structure-activity relationships of novel 7-substituted 1,4-dihydro-4-oxo-1-(2-thiazolyl)-1,8-naphthyridine-3-carboxylic acids as antitumor agents. Part 1. Abstract: In an attempt to search for clinically useful antitumor agents, we have discovered that a series of 1,7-disubstituted-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acids possessed moderate cytotoxic activity. We investigated the structure-activity relationships in this series of compounds by changing... aid8821.table aid8821.tbin
8822 44 Title: Design and synthesis of functionalized glycomers as non-peptidic ligands for SH2 binding and as inhibitors of A-431 human epidermoid and HT-29 colon carcinoma cell lines. Abstract: A set of O-substituted aryl beta-D-glucopyranosides were prepared and found to have inhibitory activity on the growth of two carcinoma cell lines. aid8822.table aid8822.tbin
8823 2 Cytotoxic activity was tested against human A-498 (Kidney carcinoma) cell line aid8823.table aid8823.tbin
8824 15 Title: On the relationship of OSW-1 to the cephalostatins. Abstract: Antineoplastic bis-steroidal (cephalostatin-type) analogues of the saponin OSW-1 were produced from a dihydroaglycone of OSW-1. The key aglycone 6H was obtained from 5alpha-androstan-3beta-ol-17-one in 8 steps (38% yield). The SAR of the aglycones, intermediates, and hybrid analogues provide insights regarding the proposed common role of C22-oxocarbenium ions in the bioactivity of both OSW-1 and cephalostatins. aid8824.table aid8824.tbin
8825 4 Cytotoxicity against human kidney carcinoma A-498cell lines aid8825.table aid8825.tbin
8826 2 Title: Robinlin: a novel bioactive homo-monoterpene from Robinia pseudoacacia L. (Fabaceae). Abstract: A bioactivity-directed fractionation of the ethanolic extracts of Robinia pseudoacacia L. (Fabaceae) afforded robinlin (1), a novel homo-monoterpene. The structure of 1 was elucidated by spectral analyses of the parent compound as well as its derivatives; 1 showed strong bioactivity in the brine shrimp lethality test (BST). aid8826.table aid8826.tbin
8827 8 Title: On topography and functionality in the B-D rings of cephalostatin cytotoxins. Abstract: Analogues 12'beta-hydroxycephalostatin 1 (9), 7'-deoxyritterazine G (10), and 14-epi-7'-deoxyritterazine B (11) were prepared via our protocol for unsymmetrical pyrazine synthesis. Cytotoxicity against human tumors was also determined for the first time for ritterazines, with femtomolar potency and a high correlation to cephalostatins observed. The SAR of these and related compounds provide insight int... aid8827.table aid8827.tbin
8828 11 Title: Synthesis, topoisomerase I inhibition and antitumor cytotoxicity of 2,2':6',2&quot;-, 2,2':6',3&quot;- and 2,2':6',4&quot;-terpyridine derivatives. Abstract: For the development of new anticancer agents, 2,2':6',2&quot;-, 2,2':6',3&quot;- and 2,2':6',4&quot;-terpyridine derivatives were designed and evaluated for their topoisomerase I inhibitory activity and antitumor cytotoxicity. Structure-activity relationship studies indicated that 2,2':6',2&quot;-terpyridine derivatives were highly c... aid8828.table aid8828.tbin
8829 7 Title: On topography and functionality in the B-D rings of cephalostatin cytotoxins. Abstract: Analogues 12'beta-hydroxycephalostatin 1 (9), 7'-deoxyritterazine G (10), and 14-epi-7'-deoxyritterazine B (11) were prepared via our protocol for unsymmetrical pyrazine synthesis. Cytotoxicity against human tumors was also determined for the first time for ritterazines, with femtomolar potency and a high correlation to cephalostatins observed. The SAR of these and related compounds provide insight int... aid8829.table aid8829.tbin
8830 1 Title: On topography and functionality in the B-D rings of cephalostatin cytotoxins. Abstract: Analogues 12'beta-hydroxycephalostatin 1 (9), 7'-deoxyritterazine G (10), and 14-epi-7'-deoxyritterazine B (11) were prepared via our protocol for unsymmetrical pyrazine synthesis. Cytotoxicity against human tumors was also determined for the first time for ritterazines, with femtomolar potency and a high correlation to cephalostatins observed. The SAR of these and related compounds provide insight int... aid8830.table aid8830.tbin
8831 5 Antiproliferative activity of compound was tested against renal cancer (A-498) human tumor cells aid8831.table aid8831.tbin
8832 3 Title: The first synthesis of clausenamine-A and cytotoxic activities of three biscarbazole analogues against cancer cells. Abstract: Clausemine-A (3), isolated from the stem and root bark of Clausena excavata, was synthesized using Suzuki cross-coupling and Oxidative coupling as the key step. Compound 3, and the other two structurally related biscarbazoles 1 and 2, showed potent cytotoxic activities against a variety of human cancer cell lines in vitro. aid8832.table aid8832.tbin
8833 1 Title: Synthesis and preliminary biological evaluations of CC-1065 analogues: effects of different linkers and terminal amides on biological activity. Abstract: CC-1065 analogues possessing a biologically active CBI functional group and amide-substituted indole and benzofuran were synthesized. The IC(50) values of compounds 26, bearing two indoles, and 25, bearing only one indole, are 0.4 and 3 nM, respectively, against U937 leukemia cells in vitro. The IC(50) values of compounds 28, bearing a b... aid8833.table aid8833.tbin
8834 1 Title: Antitumor agents. 3. Synthesis and biological activity of 4 beta-alkyl derivatives containing hydroxy, amino, and amido groups of 4'-O-demethyl-4-desoxypodophyllotoxin as antitumor agents. Abstract: A series of 4 beta-alkyl (7-10), 4 beta-aminoalkyl (12a-y), and 4 beta-amidoalkyl derivatives (14a-g) of 4'-O-demethyl-4-desoxypodophyllotoxin have been synthesized, and their cytotoxicity, inhibition of DNA topoisomerase II (Topo II), and tubulin polymerization were evaluated. All derivatives... aid8834.table aid8834.tbin
8835 4 Title: Antitumor agents. 3. Synthesis and biological activity of 4 beta-alkyl derivatives containing hydroxy, amino, and amido groups of 4'-O-demethyl-4-desoxypodophyllotoxin as antitumor agents. Abstract: A series of 4 beta-alkyl (7-10), 4 beta-aminoalkyl (12a-y), and 4 beta-amidoalkyl derivatives (14a-g) of 4'-O-demethyl-4-desoxypodophyllotoxin have been synthesized, and their cytotoxicity, inhibition of DNA topoisomerase II (Topo II), and tubulin polymerization were evaluated. All derivatives... aid8835.table aid8835.tbin
8836 8 Title: Benzo[f]azino[2,1-a]phthalazinium cations: novel DNA intercalating chromophores with antiproliferative activity. Abstract: New azaquinolizinium-type cations have been obtained from isochromane. The synthesis was completed over seven steps and included as the key feature an intramolecular Westphal condensation. This first example of the intramolecular process allowed the preparation of benzo[f]pyrido[2,1-a]phthalazinium and benzo[f]quino[2,1-a]phthalazinium salts, which were evaluated as D... aid8836.table aid8836.tbin
8837 2 Title: Benzo[f]azino[2,1-a]phthalazinium cations: novel DNA intercalating chromophores with antiproliferative activity. Abstract: New azaquinolizinium-type cations have been obtained from isochromane. The synthesis was completed over seven steps and included as the key feature an intramolecular Westphal condensation. This first example of the intramolecular process allowed the preparation of benzo[f]pyrido[2,1-a]phthalazinium and benzo[f]quino[2,1-a]phthalazinium salts, which were evaluated as D... aid8837.table aid8837.tbin
8838 1 Title: Synthesis of OSW-1 analogues and a dimer and their antitumor activities. Abstract: Five analogues, including a 16-epi-isomer (6), and a 3-terephthalic acid linked dimer (8) of OSW-1 were synthesized. Their inhibitory activities on P388 and A-549 cells were detected. aid8838.table aid8838.tbin
8839 5 Title: Synthesis of OSW-1 analogues and a dimer and their antitumor activities. Abstract: Five analogues, including a 16-epi-isomer (6), and a 3-terephthalic acid linked dimer (8) of OSW-1 were synthesized. Their inhibitory activities on P388 and A-549 cells were detected. aid8839.table aid8839.tbin
8840 2 Title: Synthesis of OSW-1 analogues and a dimer and their antitumor activities. Abstract: Five analogues, including a 16-epi-isomer (6), and a 3-terephthalic acid linked dimer (8) of OSW-1 were synthesized. Their inhibitory activities on P388 and A-549 cells were detected. aid8840.table aid8840.tbin
8841 5 Title: Synthesis of OSW-1 analogues and a dimer and their antitumor activities. Abstract: Five analogues, including a 16-epi-isomer (6), and a 3-terephthalic acid linked dimer (8) of OSW-1 were synthesized. Their inhibitory activities on P388 and A-549 cells were detected. aid8841.table aid8841.tbin
8842 2 Title: Synthesis of OSW-1 analogues and a dimer and their antitumor activities. Abstract: Five analogues, including a 16-epi-isomer (6), and a 3-terephthalic acid linked dimer (8) of OSW-1 were synthesized. Their inhibitory activities on P388 and A-549 cells were detected. aid8842.table aid8842.tbin
8843 3 Title: Synthesis of OSW-1 analogues and a dimer and their antitumor activities. Abstract: Five analogues, including a 16-epi-isomer (6), and a 3-terephthalic acid linked dimer (8) of OSW-1 were synthesized. Their inhibitory activities on P388 and A-549 cells were detected. aid8843.table aid8843.tbin
8844 4 Title: Synthesis of OSW-1 analogues and a dimer and their antitumor activities. Abstract: Five analogues, including a 16-epi-isomer (6), and a 3-terephthalic acid linked dimer (8) of OSW-1 were synthesized. Their inhibitory activities on P388 and A-549 cells were detected. aid8844.table aid8844.tbin
8845 10 Title: Antitumor agents. Part 204: synthesis and biological evaluation of substituted 2-aryl quinazolinones. Abstract: A series of 2',3',4',6,7-substituted 2-aryl quinazolinones were synthesized and evaluated for biological activity. Among them, 17 displayed significant growth inhibitory action against a panel of tumor cell lines. Compound 17 was also a potent inhibitor of tubulin polymerization. Compounds 8-10 displayed selective activity against P-gp-expressing epidermoid carcinoma of the asop... aid8845.table aid8845.tbin
8846 1 Title: Antitumor agents. Part 204: synthesis and biological evaluation of substituted 2-aryl quinazolinones. Abstract: A series of 2',3',4',6,7-substituted 2-aryl quinazolinones were synthesized and evaluated for biological activity. Among them, 17 displayed significant growth inhibitory action against a panel of tumor cell lines. Compound 17 was also a potent inhibitor of tubulin polymerization. Compounds 8-10 displayed selective activity against P-gp-expressing epidermoid carcinoma of the asop... aid8846.table aid8846.tbin
8847 14 Title: A new family of quinoline and quinoxaline analogues of combretastatins. Abstract: The 3-hydroxy-4-methoxyphenyl ring of combretastatin A-4 can be replaced by a 2-naphthyl moiety without significant loss of cytotoxicity and inhibition of tubulin polymerization potency. In this paper we show that the 6- or 7-quinolyl systems can in turn replace both cyclic moieties, keeping in the first case most of the potency as cytotoxic agent and in the second case as inhibitor of tubulin polymerization... aid8847.table aid8847.tbin
8848 1 Title: Synthesis, topoisomerase I inhibition and structure-activity relationship study of 2,4,6-trisubstituted pyridine derivatives. Abstract: For the development of new anticancer agents, phenyl, 2-pyridyl, 2-furyl, 2-thienyl, 2-furylvinyl and 2-thienylvinyl substituted derivatives on 2,4,6-position in pyridine moiety were prepared and evaluated for their topoisomerase I inhibitory activity. Among the thirteen prepared compounds, four compounds exhibited strong topoisomerase I inhibitory activi... aid8848.table aid8848.tbin
8849 12 Title: Synthesis, topoisomerase I inhibition and structure-activity relationship study of 2,4,6-trisubstituted pyridine derivatives. Abstract: For the development of new anticancer agents, phenyl, 2-pyridyl, 2-furyl, 2-thienyl, 2-furylvinyl and 2-thienylvinyl substituted derivatives on 2,4,6-position in pyridine moiety were prepared and evaluated for their topoisomerase I inhibitory activity. Among the thirteen prepared compounds, four compounds exhibited strong topoisomerase I inhibitory activi... aid8849.table aid8849.tbin
8850 24 Title: Synthesis and cytotoxicity of 1,6,7,8-substituted 2-(4'-substituted phenyl)-4-quinolones and related compounds: identification as antimitotic agents interacting with tubulin. Abstract: A series of 1,6,7,8-substituted 2-(4'-substituted phenyl)-4-quinolones and related compounds have been synthesized and evaluated as cytotoxic compounds and as antimitotic agents interacting with tubulin. The 2-phenyl-4-quinolones (22-30) with substituents (e.g. F, Cl, and OCH3) at C-6, C-7, and C-8 show, in... aid8850.table aid8850.tbin
8851 2 Compound was tested for cytotoxic activity against human lung carcinoma (A-549) aid8851.table aid8851.tbin
8852 3 Compound was tested for its cytotoxic activity in MTT assay against A-549 cell line (human lung carcinoma) aid8852.table aid8852.tbin
8853 8 Title: Antitumor agents 187: synthesis and cytotoxicity of substituted 8,8-dimethyl-2H,8H-pyrano[6,5-h]quinoline-2-one and related compounds. Abstract: Several substituted 8,8-dimethyl-2H,8H-pyrano[6,5-h]quinoline-2-ones and related compounds were synthesized and evaluated for their in vitro cytotoxicity against a panel of human tumor cell lines. The most active compound (3) showed significant cytotoxic activity with GI50 values in the micromolar range. aid8853.table aid8853.tbin
8854 20 Title: Synthesis and cytotoxic activity of A-ring modified betulinic acid derivatives. Abstract: New A-ring modified betulinic acid derivatives having small steric hindrance were prepared and tested for cytotoxic activity on 3 cancer cell lines: 10 compounds showed stronger cytotoxic activity than betulinic acid. Especially, the compounds bearing 1-ene-3-oxo with electron-withdrawing groups at C2 showed strong cytotoxicity. aid8854.table aid8854.tbin
8855 1 Title: Antitumor agents. 185. Synthesis and biological evaluation of tridemethylthiocolchicine analogues as novel topoisomerase II inhibitors. Abstract: Several 1,2,3-tridemethyldeacetylthiocolchicine derivatives have been synthesized and evaluated for cytotoxic activity against various human tumor cell lines and for their inhibitory effects on DNA topoisomerases in vitro. Exhaustive demethylation of thiocolchicine analogues completely changes their biological profiles. Instead of displaying ant... aid8855.table aid8855.tbin
8856 1 Title: Antitumor agents. 185. Synthesis and biological evaluation of tridemethylthiocolchicine analogues as novel topoisomerase II inhibitors. Abstract: Several 1,2,3-tridemethyldeacetylthiocolchicine derivatives have been synthesized and evaluated for cytotoxic activity against various human tumor cell lines and for their inhibitory effects on DNA topoisomerases in vitro. Exhaustive demethylation of thiocolchicine analogues completely changes their biological profiles. Instead of displaying ant... aid8856.table aid8856.tbin
8857 3 Title: Antitumor agents. 185. Synthesis and biological evaluation of tridemethylthiocolchicine analogues as novel topoisomerase II inhibitors. Abstract: Several 1,2,3-tridemethyldeacetylthiocolchicine derivatives have been synthesized and evaluated for cytotoxic activity against various human tumor cell lines and for their inhibitory effects on DNA topoisomerases in vitro. Exhaustive demethylation of thiocolchicine analogues completely changes their biological profiles. Instead of displaying ant... aid8857.table aid8857.tbin
8858 1 Title: Antitumor agents. 185. Synthesis and biological evaluation of tridemethylthiocolchicine analogues as novel topoisomerase II inhibitors. Abstract: Several 1,2,3-tridemethyldeacetylthiocolchicine derivatives have been synthesized and evaluated for cytotoxic activity against various human tumor cell lines and for their inhibitory effects on DNA topoisomerases in vitro. Exhaustive demethylation of thiocolchicine analogues completely changes their biological profiles. Instead of displaying ant... aid8858.table aid8858.tbin
8859 1 Title: Antitumor agents. Part 212. Bucidarasins A-C, three new cytotoxic clerodane diterpenes from Bucida buceras. Abstract: As part of a study on antitumor agents from rainforest plants, four new clerodane diterpenes, bucidarasins A--D (1-4), were isolated from Bucida buceras. Their structures were elucidated from detailed 2D NMR analyses. Compounds 1-3 showed potent cytotoxicity against human tumor cell lines with IC(50) values of 0.5-1.9 microM. The potency was retained in drug resistant line... aid8859.table aid8859.tbin
8860 2 Title: Antitumor benzothiazoles. 8. Synthesis, metabolic formation, and biological properties of the C- and N-oxidation products of antitumor 2-(4-aminophenyl)benzothiazoles. Abstract: 2-(4-Aminophenyl)benzothiazoles 1 and their N-acetylated forms have been converted to C- and N-hydroxylated derivatives to investigate the role of metabolic oxidation in the mode of action of this series of compounds. 2-(4-Amino-3-methylphenyl)benzothiazole (1a, DF 203, NSC 674495) is a novel and potent antitumor ... aid8860.table aid8860.tbin
8861 1 Title: Antitumor benzothiazoles. 7. Synthesis of 2-(4-acylaminophenyl)benzothiazoles and investigations into the role of acetylation in the antitumor activities of the parent amines. Abstract: 2-(4-Aminophenyl)benzothiazoles display potent and selective antitumor activity against inter alia breast, ovarian, colon, and renal cell lines, but their mechanism of action, though yet to be defined, may be novel. Metabolism is suspected to play a central role in the mode of action of these benzothiazole... aid8861.table aid8861.tbin
8862 1 Title: Synthesis and biological activity of sulfonamide derivatives of epipodophyllotoxin. Abstract: A series of novel 4beta-substituted sulfonamide derivatives of 4'-O-demethyl-4-desoxypodophyllotoxin has been synthesized. Their effects on human DNA topoisomerase II and, in some cases, on tubulin polymerization were evaluated. Compounds 8a, 8c, 8f, 8g, 8n, 8q, 8r, and 8s and the synthetic precursor 4 are potent topoisomerase II poisons that induce double-stranded breaks in DNA, with either impr... aid8862.table aid8862.tbin
8863 2 Title: Synthesis and biological activity of sulfonamide derivatives of epipodophyllotoxin. Abstract: A series of novel 4beta-substituted sulfonamide derivatives of 4'-O-demethyl-4-desoxypodophyllotoxin has been synthesized. Their effects on human DNA topoisomerase II and, in some cases, on tubulin polymerization were evaluated. Compounds 8a, 8c, 8f, 8g, 8n, 8q, 8r, and 8s and the synthetic precursor 4 are potent topoisomerase II poisons that induce double-stranded breaks in DNA, with either impr... aid8863.table aid8863.tbin
8864 1 Title: Synthesis and biological activity of sulfonamide derivatives of epipodophyllotoxin. Abstract: A series of novel 4beta-substituted sulfonamide derivatives of 4'-O-demethyl-4-desoxypodophyllotoxin has been synthesized. Their effects on human DNA topoisomerase II and, in some cases, on tubulin polymerization were evaluated. Compounds 8a, 8c, 8f, 8g, 8n, 8q, 8r, and 8s and the synthetic precursor 4 are potent topoisomerase II poisons that induce double-stranded breaks in DNA, with either impr... aid8864.table aid8864.tbin
8865 1 Title: Synthesis and biological activity of sulfonamide derivatives of epipodophyllotoxin. Abstract: A series of novel 4beta-substituted sulfonamide derivatives of 4'-O-demethyl-4-desoxypodophyllotoxin has been synthesized. Their effects on human DNA topoisomerase II and, in some cases, on tubulin polymerization were evaluated. Compounds 8a, 8c, 8f, 8g, 8n, 8q, 8r, and 8s and the synthetic precursor 4 are potent topoisomerase II poisons that induce double-stranded breaks in DNA, with either impr... aid8865.table aid8865.tbin
8866 1 Title: Synthesis and biological activity of sulfonamide derivatives of epipodophyllotoxin. Abstract: A series of novel 4beta-substituted sulfonamide derivatives of 4'-O-demethyl-4-desoxypodophyllotoxin has been synthesized. Their effects on human DNA topoisomerase II and, in some cases, on tubulin polymerization were evaluated. Compounds 8a, 8c, 8f, 8g, 8n, 8q, 8r, and 8s and the synthetic precursor 4 are potent topoisomerase II poisons that induce double-stranded breaks in DNA, with either impr... aid8866.table aid8866.tbin
8867 2 Title: Synthesis and biological activity of sulfonamide derivatives of epipodophyllotoxin. Abstract: A series of novel 4beta-substituted sulfonamide derivatives of 4'-O-demethyl-4-desoxypodophyllotoxin has been synthesized. Their effects on human DNA topoisomerase II and, in some cases, on tubulin polymerization were evaluated. Compounds 8a, 8c, 8f, 8g, 8n, 8q, 8r, and 8s and the synthetic precursor 4 are potent topoisomerase II poisons that induce double-stranded breaks in DNA, with either impr... aid8867.table aid8867.tbin
8868 1 Title: Cytotoxic alpha-halogenoacrylic derivatives of distamycin A and congeners. Abstract: The mechanism of action of many antitumor agents involves DNA damage, either by direct binding of the drug to DNA or to DNA-binding proteins. However, most of the DNA-interacting agents have only a limited degree of sequence specificity, which implies that they may hit all the cellular genes. DNA minor groove binders, among which the derivatives of distamycin A play an important role, could provide signif... aid8868.table aid8868.tbin
8869 5 Title: Potentiation of cytotoxic drug activity in human tumour cell lines, by amine-substituted 2-arylbenzimidazole-4-carboxamide PARP-1 inhibitors. Abstract: The synthesis and biological evaluation of a new series of amine-substituted 2-arylbenzimidazole-4-carboxamide inhibitors of the DNA-repair enzyme poly(ADP-ribose) polymerase-1 (PARP-1) is reported. The introduction of an amine substituent at the 2-aryl position is not detrimental to activity, with most inhibitors exhibiting K(i) values fo... aid8869.table aid8869.tbin
8870 2 Title: Potentiation of cytotoxic drug activity in human tumour cell lines, by amine-substituted 2-arylbenzimidazole-4-carboxamide PARP-1 inhibitors. Abstract: The synthesis and biological evaluation of a new series of amine-substituted 2-arylbenzimidazole-4-carboxamide inhibitors of the DNA-repair enzyme poly(ADP-ribose) polymerase-1 (PARP-1) is reported. The introduction of an amine substituent at the 2-aryl position is not detrimental to activity, with most inhibitors exhibiting K(i) values fo... aid8870.table aid8870.tbin
8871 3 Title: Potentiation of cytotoxic drug activity in human tumour cell lines, by amine-substituted 2-arylbenzimidazole-4-carboxamide PARP-1 inhibitors. Abstract: The synthesis and biological evaluation of a new series of amine-substituted 2-arylbenzimidazole-4-carboxamide inhibitors of the DNA-repair enzyme poly(ADP-ribose) polymerase-1 (PARP-1) is reported. The introduction of an amine substituent at the 2-aryl position is not detrimental to activity, with most inhibitors exhibiting K(i) values fo... aid8871.table aid8871.tbin
8872 4 Title: Potentiation of cytotoxic drug activity in human tumour cell lines, by amine-substituted 2-arylbenzimidazole-4-carboxamide PARP-1 inhibitors. Abstract: The synthesis and biological evaluation of a new series of amine-substituted 2-arylbenzimidazole-4-carboxamide inhibitors of the DNA-repair enzyme poly(ADP-ribose) polymerase-1 (PARP-1) is reported. The introduction of an amine substituent at the 2-aryl position is not detrimental to activity, with most inhibitors exhibiting K(i) values fo... aid8872.table aid8872.tbin
8873 1 Title: Novel tricyclic poly(ADP-ribose) polymerase-1 inhibitors with potent anticancer chemopotentiating activity: design, synthesis, and X-ray cocrystal structure. Abstract: A series of novel compounds have been designed that are potent inhibitors of poly(ADP-ribose) polymerase-1 (PARP-1), and the activity and physical properties have been characterized. The new structural classes, 3,4,5,6-tetrahydro-1H-azepino[5,4,3-cd]indol-6-ones and 3,4-dihydropyrrolo[4,3,2-de]isoquinolin-5-(1H)-ones, have ... aid8873.table aid8873.tbin
8874 7 Title: Synthesis and biological evaluation of 4-deacetoxy-1,7-dideoxy azetidine paclitaxel analogues. Abstract: Three novel 4-deacetoxy-1,7-dideoxy azetidine paclitaxel analogues were synthesized through a convenient route that employed hydroboration-amination and intramolecular S(N)2-type substitution reaction from a natural taxoid taxinine. All analogues have been tested for cytotoxicity against three human tumor cell lines. None of them showed remarkable cytotoxicity compared to paclitaxel ag... aid8874.table aid8874.tbin
8875 15 Title: Synthesis and antitumor activity of 10-substituted benzylidene anthrone. Abstract: Fifteen compounds of 10-substituted benzylidene anthrone were prepared with moderate yield by reaction of anthrone and substituted benzaldehydes under the presence of pyridine and piperidine as catalyst. Their antitumor activities in vitro were evaluated. The results show that the electron-withdrawing substitutes decrease the activities, the electron-donor substitutes increase the activities; the compound w... aid8875.table aid8875.tbin
8876 15 Title: Synthesis and antitumor activity of 10-substituted benzylidene anthrone. Abstract: Fifteen compounds of 10-substituted benzylidene anthrone were prepared with moderate yield by reaction of anthrone and substituted benzaldehydes under the presence of pyridine and piperidine as catalyst. Their antitumor activities in vitro were evaluated. The results show that the electron-withdrawing substitutes decrease the activities, the electron-donor substitutes increase the activities; the compound w... aid8876.table aid8876.tbin
8877 15 Title: Synthesis and antitumor activity of 10-substituted benzylidene anthrone. Abstract: Fifteen compounds of 10-substituted benzylidene anthrone were prepared with moderate yield by reaction of anthrone and substituted benzaldehydes under the presence of pyridine and piperidine as catalyst. Their antitumor activities in vitro were evaluated. The results show that the electron-withdrawing substitutes decrease the activities, the electron-donor substitutes increase the activities; the compound w... aid8877.table aid8877.tbin
8878 15 Title: Synthesis and antitumor activity of 10-substituted benzylidene anthrone. Abstract: Fifteen compounds of 10-substituted benzylidene anthrone were prepared with moderate yield by reaction of anthrone and substituted benzaldehydes under the presence of pyridine and piperidine as catalyst. Their antitumor activities in vitro were evaluated. The results show that the electron-withdrawing substitutes decrease the activities, the electron-donor substitutes increase the activities; the compound w... aid8878.table aid8878.tbin
8879 15 Title: Synthesis and antitumor activity of 10-substituted benzylidene anthrone. Abstract: Fifteen compounds of 10-substituted benzylidene anthrone were prepared with moderate yield by reaction of anthrone and substituted benzaldehydes under the presence of pyridine and piperidine as catalyst. Their antitumor activities in vitro were evaluated. The results show that the electron-withdrawing substitutes decrease the activities, the electron-donor substitutes increase the activities; the compound w... aid8879.table aid8879.tbin
8880 4 Title: New lupane derived compounds with pro-apoptotic activity in cancer cells: synthesis and structure-activity relationships. Abstract: Cellular screening of various synthetic triterpenoid compounds formally derived from lupane has identified a number of analogues as potential anticancer drug candidates. Here we describe the synthesis and structure-activity relationships of betulin and betulinic acid derivatives containing an E-ring modified with different oxygen functions. Thus compounds con... aid8880.table aid8880.tbin
8881 1 Title: Cytotoxic alpha-halogenoacrylic derivatives of distamycin A and congeners. Abstract: The mechanism of action of many antitumor agents involves DNA damage, either by direct binding of the drug to DNA or to DNA-binding proteins. However, most of the DNA-interacting agents have only a limited degree of sequence specificity, which implies that they may hit all the cellular genes. DNA minor groove binders, among which the derivatives of distamycin A play an important role, could provide signif... aid8881.table aid8881.tbin
8882 1 Title: Synthesis, antitubulin and antimitotic activity, and cytotoxicity of analogs of 2-methoxyestradiol, an endogenous mammalian metabolite of estradiol that inhibits tubulin polymerization by binding to the colchicine binding site. Abstract: In order to define the structural parameters associated with the antitubulin activity and cytotoxicity of 2-methoxyestradiol, a mammalian metabolite of estradiol, an array of analogs was synthesized and evaluated. The potencies of the new congeners as inh... aid8882.table aid8882.tbin
8883 1 Title: Diaminopurine-acridine heterodimers for specific recognition of abasic site containing DNA. Influence on the biological activity of the position of the linker on the purine ring. Abstract: Three acridine-diaminopurine heterodimers tethered by a linker containing an N,N'-substituted guanidine were prepared. The molecules differ by the site of introduction of the linker on the 2,6-diaminopurine. The interactions of the new heterodimers with abasic site containing oligonucleotide were compar... aid8883.table aid8883.tbin
8884 1 Title: Diaminopurine-acridine heterodimers for specific recognition of abasic site containing DNA. Influence on the biological activity of the position of the linker on the purine ring. Abstract: Three acridine-diaminopurine heterodimers tethered by a linker containing an N,N'-substituted guanidine were prepared. The molecules differ by the site of introduction of the linker on the 2,6-diaminopurine. The interactions of the new heterodimers with abasic site containing oligonucleotide were compar... aid8884.table aid8884.tbin
8885 2 Title: Diaminopurine-acridine heterodimers for specific recognition of abasic site containing DNA. Influence on the biological activity of the position of the linker on the purine ring. Abstract: Three acridine-diaminopurine heterodimers tethered by a linker containing an N,N'-substituted guanidine were prepared. The molecules differ by the site of introduction of the linker on the 2,6-diaminopurine. The interactions of the new heterodimers with abasic site containing oligonucleotide were compar... aid8885.table aid8885.tbin
8886 1 Title: Design, synthesis, and evaluation of novel thienopyrrolizinones as antitubulin agents. Abstract: Herein, we describe the structure-activity relationship study of a new 3-aryl-8H-thieno[2,3-b]pyrrolizin-8-one series of antitubulin agents. The pharmacological results from the National Cancer Institute in vitro human disease oriented tumor cell line screening allowed us to identify compound 1d (NSC 676693) as a very efficient antitumoral drug in all cancer cell lines tested. This prompted us... aid8886.table aid8886.tbin
8887 1 Title: Inhibitors of multidrug resistance (MDR) have affinity for MDR substrates. Abstract: Multidrug-resistance (MDR) occurs in many bacterial species and tumour cells. MDR functions by membrane proteins which export drugs from cells, resulting in a low ineffective concentration of the drug. We have shown by molecular modelling that inhibitors of MDR have affinity for substrates of MDR transporters. This affinity may facilitate drug entry into cells and a large inhibitor-drug complex may be a p... aid8887.table aid8887.tbin
8888 1 Title: Inhibitors of multidrug resistance (MDR) have affinity for MDR substrates. Abstract: Multidrug-resistance (MDR) occurs in many bacterial species and tumour cells. MDR functions by membrane proteins which export drugs from cells, resulting in a low ineffective concentration of the drug. We have shown by molecular modelling that inhibitors of MDR have affinity for substrates of MDR transporters. This affinity may facilitate drug entry into cells and a large inhibitor-drug complex may be a p... aid8888.table aid8888.tbin
8889 1 Title: Inhibitors of multidrug resistance (MDR) have affinity for MDR substrates. Abstract: Multidrug-resistance (MDR) occurs in many bacterial species and tumour cells. MDR functions by membrane proteins which export drugs from cells, resulting in a low ineffective concentration of the drug. We have shown by molecular modelling that inhibitors of MDR have affinity for substrates of MDR transporters. This affinity may facilitate drug entry into cells and a large inhibitor-drug complex may be a p... aid8889.table aid8889.tbin
8890 2 Title: Inhibitors of multidrug resistance (MDR) have affinity for MDR substrates. Abstract: Multidrug-resistance (MDR) occurs in many bacterial species and tumour cells. MDR functions by membrane proteins which export drugs from cells, resulting in a low ineffective concentration of the drug. We have shown by molecular modelling that inhibitors of MDR have affinity for substrates of MDR transporters. This affinity may facilitate drug entry into cells and a large inhibitor-drug complex may be a p... aid8890.table aid8890.tbin
8891 2 Title: Inhibitors of multidrug resistance (MDR) have affinity for MDR substrates. Abstract: Multidrug-resistance (MDR) occurs in many bacterial species and tumour cells. MDR functions by membrane proteins which export drugs from cells, resulting in a low ineffective concentration of the drug. We have shown by molecular modelling that inhibitors of MDR have affinity for substrates of MDR transporters. This affinity may facilitate drug entry into cells and a large inhibitor-drug complex may be a p... aid8891.table aid8891.tbin
8892 2 Title: Inhibitors of multidrug resistance (MDR) have affinity for MDR substrates. Abstract: Multidrug-resistance (MDR) occurs in many bacterial species and tumour cells. MDR functions by membrane proteins which export drugs from cells, resulting in a low ineffective concentration of the drug. We have shown by molecular modelling that inhibitors of MDR have affinity for substrates of MDR transporters. This affinity may facilitate drug entry into cells and a large inhibitor-drug complex may be a p... aid8892.table aid8892.tbin
8893 3 Title: Inhibitors of multidrug resistance (MDR) have affinity for MDR substrates. Abstract: Multidrug-resistance (MDR) occurs in many bacterial species and tumour cells. MDR functions by membrane proteins which export drugs from cells, resulting in a low ineffective concentration of the drug. We have shown by molecular modelling that inhibitors of MDR have affinity for substrates of MDR transporters. This affinity may facilitate drug entry into cells and a large inhibitor-drug complex may be a p... aid8893.table aid8893.tbin
8894 3 Title: Inhibitors of multidrug resistance (MDR) have affinity for MDR substrates. Abstract: Multidrug-resistance (MDR) occurs in many bacterial species and tumour cells. MDR functions by membrane proteins which export drugs from cells, resulting in a low ineffective concentration of the drug. We have shown by molecular modelling that inhibitors of MDR have affinity for substrates of MDR transporters. This affinity may facilitate drug entry into cells and a large inhibitor-drug complex may be a p... aid8894.table aid8894.tbin
8895 1 Title: Inhibitors of multidrug resistance (MDR) have affinity for MDR substrates. Abstract: Multidrug-resistance (MDR) occurs in many bacterial species and tumour cells. MDR functions by membrane proteins which export drugs from cells, resulting in a low ineffective concentration of the drug. We have shown by molecular modelling that inhibitors of MDR have affinity for substrates of MDR transporters. This affinity may facilitate drug entry into cells and a large inhibitor-drug complex may be a p... aid8895.table aid8895.tbin
8896 1 Title: Structure-based design, synthesis, and biological evaluation of irreversible human rhinovirus 3C protease inhibitors. 6. Structure-activity studies of orally bioavailable, 2-pyridone-containing peptidomimetics. Abstract: The structure-based design, chemical synthesis, and biological evaluation of various 2-pyridone-containing human rhinovirus (HRV) 3C protease (3CP) inhibitors are described. These compounds are comprised of a peptidomimetic binding determinant and a Michael acceptor moiet... aid8896.table aid8896.tbin
8897 1 Title: Novel HIV-1 protease inhibitors active against multiple PI-resistant viral strains: coadministration with indinavir. Abstract: HIV-1 protease inhibitors (PI) with an N-arylpyrrole moiety in the P(3) position afforded excellent antiviral potency and substantially improved aqueous solubility over previously reported variants. The rapid in vitro clearance of these compounds in human liver microsomes prompted oral coadministration with indinavir to hinder their metabolism by the cyctochrome P... aid8897.table aid8897.tbin
8898 2 Title: Novel HIV-1 protease inhibitors active against multiple PI-resistant viral strains: coadministration with indinavir. Abstract: HIV-1 protease inhibitors (PI) with an N-arylpyrrole moiety in the P(3) position afforded excellent antiviral potency and substantially improved aqueous solubility over previously reported variants. The rapid in vitro clearance of these compounds in human liver microsomes prompted oral coadministration with indinavir to hinder their metabolism by the cyctochrome P... aid8898.table aid8898.tbin
8899 3 Title: Novel HIV-1 protease inhibitors active against multiple PI-resistant viral strains: coadministration with indinavir. Abstract: HIV-1 protease inhibitors (PI) with an N-arylpyrrole moiety in the P(3) position afforded excellent antiviral potency and substantially improved aqueous solubility over previously reported variants. The rapid in vitro clearance of these compounds in human liver microsomes prompted oral coadministration with indinavir to hinder their metabolism by the cyctochrome P... aid8899.table aid8899.tbin
8900 1 Title: Novel HIV-1 protease inhibitors active against multiple PI-resistant viral strains: coadministration with indinavir. Abstract: HIV-1 protease inhibitors (PI) with an N-arylpyrrole moiety in the P(3) position afforded excellent antiviral potency and substantially improved aqueous solubility over previously reported variants. The rapid in vitro clearance of these compounds in human liver microsomes prompted oral coadministration with indinavir to hinder their metabolism by the cyctochrome P... aid8900.table aid8900.tbin
8901 2 Title: Methyloxime-substituted aminopyrrolidine: a new surrogate for 7-basic group of quinolone. Abstract: Novel fluoroquinolones containing oxime functionalized aminopyrrolidines have been synthesized. They were found to possess potent antibacterial activities against both Gram-negative and Gram-positive organisms, including methicillin resistant Staphylococcus aureus (MRSA). Among these compounds, LB20277 (compound 12) showed the most favorable in vivo efficacy and pharmacokinetic profile in a... aid8901.table aid8901.tbin
8902 3 Title: 3-amino-4-sulfonylpyridinone acetamide and related pyridothiadiazine thrombin inhibitors. Abstract: We describe a series of highly potent and efficacious thrombin inhibitors based on a 3-amino-4-sulfonylpyridinone acetamide template. The functionally dense sulfonyl group stabilizes the aminopyridinone, conformationally constrains the 4-substituent, and forms a hydrogen bond to the insertion loop tyrosine OH. We also describe a related series of fused bicyclic dihydrothiadiazinedioxide der... aid8902.table aid8902.tbin
8903 1 Title: 3-amino-4-sulfonylpyridinone acetamide and related pyridothiadiazine thrombin inhibitors. Abstract: We describe a series of highly potent and efficacious thrombin inhibitors based on a 3-amino-4-sulfonylpyridinone acetamide template. The functionally dense sulfonyl group stabilizes the aminopyridinone, conformationally constrains the 4-substituent, and forms a hydrogen bond to the insertion loop tyrosine OH. We also describe a related series of fused bicyclic dihydrothiadiazinedioxide der... aid8903.table aid8903.tbin
8904 2 Title: C6 modification of the pyridinone core of thrombin inhibitor L-374,087 as a means of enhancing its oral absorption. Abstract: 1 (L-374,087) is a potent, selective, efficacious, and orally bioavailable thrombin inhibitor that contains a core 3-amino-2-pyridinone moiety. Replacement of the C6 pyridinone methyl group of 1 by a propyl group gave 5 (L-375,052), which retained all the excellent properties of 1, and also yielded higher plasma levels after oral dosing in dogs and rats. aid8904.table aid8904.tbin
8905 1 Compound was evaluated for maximum observed plasma concentration at dose 27.5 mg/kg DMP323 equiv in dogs aid8905.table aid8905.tbin
8906 1 Compound was evaluated for maximum observed plasma concentration at dose 7.7 mg/kg DMP323 equiv in dogs aid8906.table aid8906.tbin
8907 9 Concentration maxima after oral dosing in dogs aid8907.table aid8907.tbin
8908 1 Concentration maxima after oral dosing in dogs; not available aid8908.table aid8908.tbin
8909 2 Concentration maxima after oral dosing in dogs; not available aid8909.table aid8909.tbin
8910 1 Title: Non-covalent thrombin inhibitors featuring P(3)-heterocycles with P(1)-monocyclic arginine surrogates. Abstract: Investigations on P(2)-P(3)-heterocyclic dipeptide surrogates directed towards identification of an orally bioavailable thrombin inhibitor led us to pursue novel classes of achiral, non-covalent P(1)-arginine derivatives. The design, synthesis, and biological activity of inhibitors NC1-NC30 that feature three classes of monocyclic P(1)-arginine surrogates will be disclosed: (1)... aid8910.table aid8910.tbin
8911 1 Title: Non-covalent thrombin inhibitors featuring P(3)-heterocycles with P(1)-monocyclic arginine surrogates. Abstract: Investigations on P(2)-P(3)-heterocyclic dipeptide surrogates directed towards identification of an orally bioavailable thrombin inhibitor led us to pursue novel classes of achiral, non-covalent P(1)-arginine derivatives. The design, synthesis, and biological activity of inhibitors NC1-NC30 that feature three classes of monocyclic P(1)-arginine surrogates will be disclosed: (1)... aid8911.table aid8911.tbin
8912 18 Title: Non-covalent thrombin inhibitors featuring P(3)-heterocycles with P(1)-monocyclic arginine surrogates. Abstract: Investigations on P(2)-P(3)-heterocyclic dipeptide surrogates directed towards identification of an orally bioavailable thrombin inhibitor led us to pursue novel classes of achiral, non-covalent P(1)-arginine derivatives. The design, synthesis, and biological activity of inhibitors NC1-NC30 that feature three classes of monocyclic P(1)-arginine surrogates will be disclosed: (1)... aid8912.table aid8912.tbin
8913 3 Title: Non-covalent thrombin inhibitors featuring P(3)-heterocycles with P(1)-monocyclic arginine surrogates. Abstract: Investigations on P(2)-P(3)-heterocyclic dipeptide surrogates directed towards identification of an orally bioavailable thrombin inhibitor led us to pursue novel classes of achiral, non-covalent P(1)-arginine derivatives. The design, synthesis, and biological activity of inhibitors NC1-NC30 that feature three classes of monocyclic P(1)-arginine surrogates will be disclosed: (1)... aid8913.table aid8913.tbin
8914 1 Title: Non-covalent thrombin inhibitors featuring P(3)-heterocycles with P(1)-monocyclic arginine surrogates. Abstract: Investigations on P(2)-P(3)-heterocyclic dipeptide surrogates directed towards identification of an orally bioavailable thrombin inhibitor led us to pursue novel classes of achiral, non-covalent P(1)-arginine derivatives. The design, synthesis, and biological activity of inhibitors NC1-NC30 that feature three classes of monocyclic P(1)-arginine surrogates will be disclosed: (1)... aid8914.table aid8914.tbin
8915 29 Title: Non-covalent thrombin inhibitors featuring P3-heterocycles with P1-bicyclic arginine surrogates. Abstract: Novel, potent, and highly selective classes of thrombin inhibitors were identified, which resulted from judicious combination of P4-aromatics and P2-P3-heterocyclic dipeptide surrogates with weakly basic (calcd pKa approximately non-basic-8.6) bicyclic P1-arginine mimics. The design, synthesis, and biological activity of achiral, non-covalent, orally bioavailable inhibitors NC1-NC44 ... aid8915.table aid8915.tbin
8916 1 Title: SAR in the alkoxy lactone series: the discovery of DFP, a potent and orally active COX-2 inhibitor. Abstract: Extensive SAR has been established in the alkoxy lactone series and this has lead to the discovery of DFP (5,5-dimethyl-3-(2-propoxy)-4-methanesulfonylphenyl)-2(5H)-furanon e), a potent COX-2 inhibitor exhibiting in vivo efficacy in all models studied. aid8916.table aid8916.tbin
8917 3 Title: Imidazo[4,5-b]pyridines as corticotropin releasing factor receptor ligands. Abstract: A series of high affinity CRF receptor ligands with an imidazo[4,5-b]pyridine core is described. Individual analogues were synthesized and tested in a rat CRF receptor binding assay. The best compounds were further tested in the dog N-in-1 pharmacokinetic model to assess plasma levels at 1mg/kg (po) and in the rat situational anxiety model to assess anxiolytic efficacy at 3mg/kg (po). The structure-activ... aid8917.table aid8917.tbin
8918 1 Title: Imidazo[4,5-c]pyridines as corticotropin releasing factor receptor ligands. Abstract: A series of high affinity CRF receptor ligands with an imidazo[4,5-c]pyridine core is described. Individual analogues were synthesized and tested in vitro in rat brain receptors to determine binding affinity. The best compound was further tested in the dog N-in-1 pharmacokinetic model to assess oral bioavailability at 1 mg/kg po. aid8918.table aid8918.tbin
8919 8 Title: Oxo-piperazine derivatives of N-arylpiperazinones as inhibitors of farnesyltransferase. Abstract: The evaluation of SAR associated with the insertion of carbonyl groups at various positions of N-arylpiperazinone farnesyltransferase inhibitors is described herein. 1-Aryl-2,3-diketopiperazine derivatives exhibited the best balance of potency and pharmacokinetic profile relative to the parent 1-aryl-2-piperazinones. aid8919.table aid8919.tbin
8920 1 Title: Potent cyclic urea HIV protease inhibitors with 3-aminoindazole P2/P2' groups. Abstract: Cyclic ureas containing 3-aminoindazole P2/P2' groups are extremely potent inhibitors of HIV protease. The parent 3-aminoindazole 6 showed a Ki &lt; 0.01 nM but poor translation of enzyme activity to antiviral activity was observed. A series of 3-alkylaminoindazoles revealed that translation improved with increasing lipophilicity. An X-ray crystal structure of 6 bound to HIV protease was obtained. aid8920.table aid8920.tbin
8921 1 Title: Discovery of novel, orally active dual NK1/NK2 antagonists. Abstract: Exploration of the SAR around selective NK2 antagonists, SR48968 and ZD7944, led to the discovery that naphth-1-amide analogues provide potent dual NK1 and NK2 antagonists. ZD6021 inhibited binding of [3H]-NKA or [3H]-SP to human NK1 and NK2 receptors, with high-affinity (K(i)=0.12 and 0.62nM, respectively). In functional assays ZD6021 had, at 10(-7)M, in human pulmonary artery pK(B)=8.9 and in human bronchus pK(B)=7.3,... aid8921.table aid8921.tbin
8922 1 Title: Synthesis and biological activity of peptidyl aldehyde urokinase inhibitors. Abstract: Solid- and solution-phase synthesis of peptidomimetic inhibitors of urokinase-type plasminogen activator based on the sequence dSerAlaArg-al are described. The biological activities of these unique inhibitors are reported herein. Carbonate prodrugs were prepared and tested as potential drug delivery systems. aid8922.table aid8922.tbin
8923 2 Title: Synthesis and activity of novel HIV protease inhibitors with improved potency against multiple PI-resistant viral strains. Abstract: Substitution of the t-butylcarboxamide substituent in analogues of the HIV protease inhibitor (PI) Indinavir with a trifluoroethylamide moiety confers greater potency against both the wild-type (NL4-3) virus and PI-resistant HIV. The trifluoroethyl substituent also affords a slower clearance rate in vivo (dogs); however, this may be due to more potent inhibi... aid8923.table aid8923.tbin
8924 1 Title: Nonpeptidic HIV protease inhibitors: 6-alkyl-5,6-dihydropyran-2-ones possessing achiral 3-(4-amino/carboxamide-2-t-butyl,5-methylphenyl thio) moiety: antiviral activities and pharmacokinetic properties. Abstract: Dihydropyran-2-ones possessing amino and carboxamide functionalities on 3-SPh (2-tert-butyl, 5-methyl) ring were synthesized and evaluated for their antiviral activities. Both the enantiomers of inhibitor 15 were synthesized. The in vitro resistance profile, inhibitory activities... aid8924.table aid8924.tbin
8925 3 Title: Indinavir analogues with blocked metabolism sites as HIV protease inhibitors with improved pharmacological profiles and high potency against PI-resistant viral strains. Abstract: Indinavir analogues with blocked metabolism sites show highly improved pharmacokinetic profiles in animals. The cis-aminochromanol substituted analogues exhibited excellent potency against both the wild-type (NL4-3) virus and protease inhibitor-resistant HIV strains. aid8925.table aid8925.tbin
8926 1 Title: The discovery of a potent, intracellular, orally bioavailable, long duration inhibitor of human neutrophil elastase--GW311616A a development candidate. Abstract: The discovery of a potent intracellular inhibitor of human neutrophil elastase which is orally active and has a long duration of action is described. The pharmacodynamic and pharmacokinetic properties of a trans-lactam development candidate, GW311616A, are described. aid8926.table aid8926.tbin
8927 1 Maximum concentration was evaluated against Beagle dog at a dose of 15 mg/kg after po administration aid8927.table aid8927.tbin
8928 1 Maximum concentration was evaluated in dog plasma aid8928.table aid8928.tbin
8929 1 Title: L-374,087, an efficacious, orally bioavailable, pyridinone acetamide thrombin inhibitor. Abstract: Replacement of the amidinopiperidine P1 group of 3-benzylsulfonylamino-6-methyl-2-pyridinone acetamide thrombin inhibitor L-373,890 (2) with a mildly basic 5-linked 2-amino-6-methylpyridine results in an equipotent compound L-374,087 (5, Ki = 0.5 nM). Compound 5 is highly selective for thrombin over trypsin, is efficacious in the rat ferric chloride model of arterial thrombosis and is orally... aid8929.table aid8929.tbin
8930 1 Title: Inhibitors of cyclic AMP phosphodiesterase. 4. Synthesis and evaluation of potential prodrugs of lixazinone (N-cyclohexyl-N-methyl-4-[(1,2,3,5-tetrahydro-2- oxoimidazo[2,1-b]quinazolin-7-yl)-oxy]butyramide, RS-82856). Abstract: The cyclic AMP phosphodiesterase (cAMP PDE) inhibitor and cardiotonic agent lixazinone (N-cyclohexyl-N-methyl-4-[(1,2,3,5-tetrahydro-2- oxoimidazo[2,1-b]quinazolin-7-yl)oxy]butyramide, RS-82856, 1) and its acid and base addition salts were found to be insufficientl... aid8930.table aid8930.tbin
8931 1 Title: Inhibitors of cyclic AMP phosphodiesterase. 4. Synthesis and evaluation of potential prodrugs of lixazinone (N-cyclohexyl-N-methyl-4-[(1,2,3,5-tetrahydro-2- oxoimidazo[2,1-b]quinazolin-7-yl)-oxy]butyramide, RS-82856). Abstract: The cyclic AMP phosphodiesterase (cAMP PDE) inhibitor and cardiotonic agent lixazinone (N-cyclohexyl-N-methyl-4-[(1,2,3,5-tetrahydro-2- oxoimidazo[2,1-b]quinazolin-7-yl)oxy]butyramide, RS-82856, 1) and its acid and base addition salts were found to be insufficientl... aid8931.table aid8931.tbin
8932 2 Maximum plasma concentration in dog aid8932.table aid8932.tbin
8933 1 Title: Discovery and evaluation of potent P1 aryl heterocycle-based thrombin inhibitors. Abstract: In an effort to discover potent, clinically useful thrombin inhibitors, a rapid analogue synthetic approach was used to explore the P(1) region. Various benzylamines were coupled to a pyridine/pyrazinone P(2)-P(3) template. One compound with an o-thiadiazole benzylic substitution was found to have a thrombin K(i) of 0.84 nM. A study of ortho-substituted five-membered-ring heterocycles was undertake... aid8933.table aid8933.tbin
8934 1 Title: Discovery and evaluation of potent P1 aryl heterocycle-based thrombin inhibitors. Abstract: In an effort to discover potent, clinically useful thrombin inhibitors, a rapid analogue synthetic approach was used to explore the P(1) region. Various benzylamines were coupled to a pyridine/pyrazinone P(2)-P(3) template. One compound with an o-thiadiazole benzylic substitution was found to have a thrombin K(i) of 0.84 nM. A study of ortho-substituted five-membered-ring heterocycles was undertake... aid8934.table aid8934.tbin
8935 1 Title: Discovery and evaluation of potent P1 aryl heterocycle-based thrombin inhibitors. Abstract: In an effort to discover potent, clinically useful thrombin inhibitors, a rapid analogue synthetic approach was used to explore the P(1) region. Various benzylamines were coupled to a pyridine/pyrazinone P(2)-P(3) template. One compound with an o-thiadiazole benzylic substitution was found to have a thrombin K(i) of 0.84 nM. A study of ortho-substituted five-membered-ring heterocycles was undertake... aid8935.table aid8935.tbin
8936 1 Title: Discovery and evaluation of potent P1 aryl heterocycle-based thrombin inhibitors. Abstract: In an effort to discover potent, clinically useful thrombin inhibitors, a rapid analogue synthetic approach was used to explore the P(1) region. Various benzylamines were coupled to a pyridine/pyrazinone P(2)-P(3) template. One compound with an o-thiadiazole benzylic substitution was found to have a thrombin K(i) of 0.84 nM. A study of ortho-substituted five-membered-ring heterocycles was undertake... aid8936.table aid8936.tbin
8937 1 Title: A-420983: a potent, orally active inhibitor of lck with efficacy in a model of transplant rejection. Abstract: We have identified the pyrazolo[3,4-d]pyrimidine A-420983 (compound 7) as a potent inhibitor of lck. A-420983 exhibits oral efficacy in animal models of delayed-type hypersensitivity and organ transplant rejection. aid8937.table aid8937.tbin
8938 1 Title: Synthesis, structure-activity relationships, and pharmacokinetic profiles of nonpeptidic difluoromethylene ketones as novel inhibitors of human chymase. Abstract: Potent human chymase inhibitors with high enzymatic selectivity and satisfactory metabolic stability were obtained by replacing the Val-Pro (P3-P2) dipeptide portion of the previously described inhibitor 1 with a nonpeptidic pyrimidinone skeleton. The potency of the novel compounds was further enhanced by the introduction of car... aid8938.table aid8938.tbin
8939 4 Maximum plasma concentration in dogs after oral administration (10 mg/kg) as a 0.05 M citric acid solution. aid8939.table aid8939.tbin
8940 2 Maximum plasma concentration in dogs after oral administration (8 mg/kg) as a 0.05 M citric acid solution. aid8940.table aid8940.tbin
8941 1 Title: Discovery and biological characterization of capromorelin analogues with extended half-lives. Abstract: New tert-butyl, picolyl and fluorinated analogues of capromorelin (3), a short-acting growth hormone secretagogue (GHS), were prepared as part of a program to identify long-acting GHSs that increase 24-h plasma IGF-1 levels. Compounds 4c and 4d (ACD LogD values &gt;or=2.9) displayed extended plasma elimination half-lives in dogs, primarily due to high volumes of distribution, but showed... aid8941.table aid8941.tbin
8942 1 Title: Structural analysis and optimization of NK(1) receptor antagonists through modulation of atropisomer interconversion properties. Abstract: We have previously described a series of antagonists that showed high potency and selectivity for the NK(1) receptor. However, these compounds also had the undesirable property of existing as a mixture of interconverting rotational isomers. Here we show that alteration of the 2-naphthyl substituent can modulate the rate of isomer exchange. Comparisons ... aid8942.table aid8942.tbin
8943 1 Title: Fluoropyrrolidine amides as dipeptidyl peptidase IV inhibitors. Abstract: Amides derived from fluorinated pyrrolidines and 4-substituted cyclohexylglycine analogues have been prepared and evaluated as inhibitors of dipeptidyl dipeptidase IV (DP-IV). Analogues which incorporated (S)-3-fluoropyrrolidine showed good selectivity for DP-IV over quiescent cell proline dipeptidase (QPP). Compound 48 had good pharmacokinetic properties and was orally active in an oral glucose tolerance test in le... aid8943.table aid8943.tbin
8944 1 Title: Novel, potent non-covalent thrombin inhibitors incorporating p(3)-lactam scaffolds. Abstract: Evolution of P(1)-argininal inhibitor prototypes led to a series of non-covalent P(3)-7-membered lactam inhibitors 1a-w, featuring novel peptidomimetic units that probe each of the S(1), S(2), and S(3) specificity pockets of thrombin. Rigid P(1)-arginine surrogates possessing a wide range of basicity (calcd pK(a)'s approximately neutral-14) were surveyed. The design, synthesis, and biological act... aid8944.table aid8944.tbin
8945 22 Title: Novel, potent non-covalent thrombin inhibitors incorporating p(3)-lactam scaffolds. Abstract: Evolution of P(1)-argininal inhibitor prototypes led to a series of non-covalent P(3)-7-membered lactam inhibitors 1a-w, featuring novel peptidomimetic units that probe each of the S(1), S(2), and S(3) specificity pockets of thrombin. Rigid P(1)-arginine surrogates possessing a wide range of basicity (calcd pK(a)'s approximately neutral-14) were surveyed. The design, synthesis, and biological act... aid8945.table aid8945.tbin
8946 1 Title: Pharmacokinetic optimization of 3-amino-6-chloropyrazinone acetamide thrombin inhibitors. Implementation of P3 pyridine N-oxides to deliver an orally bioavailable series containing P1 N-benzylamides. Abstract: In this manuscript we demonstrate that a modification principally directed toward the improvement of the aqueous solubility (i.e., introduction a P3 pyridine N-oxide) of the previous lead compound afforded a new series of potent orally bioavailable P1 N-benzylamide thrombin inhibito... aid8946.table aid8946.tbin
8947 4 Title: Pharmacokinetic optimization of 3-amino-6-chloropyrazinone acetamide thrombin inhibitors. Implementation of P3 pyridine N-oxides to deliver an orally bioavailable series containing P1 N-benzylamides. Abstract: In this manuscript we demonstrate that a modification principally directed toward the improvement of the aqueous solubility (i.e., introduction a P3 pyridine N-oxide) of the previous lead compound afforded a new series of potent orally bioavailable P1 N-benzylamide thrombin inhibito... aid8947.table aid8947.tbin
8948 2 Title: Pharmacokinetic optimization of 3-amino-6-chloropyrazinone acetamide thrombin inhibitors. Implementation of P3 pyridine N-oxides to deliver an orally bioavailable series containing P1 N-benzylamides. Abstract: In this manuscript we demonstrate that a modification principally directed toward the improvement of the aqueous solubility (i.e., introduction a P3 pyridine N-oxide) of the previous lead compound afforded a new series of potent orally bioavailable P1 N-benzylamide thrombin inhibito... aid8948.table aid8948.tbin
8949 22 Title: Pharmacokinetic optimization of 3-amino-6-chloropyrazinone acetamide thrombin inhibitors. Implementation of P3 pyridine N-oxides to deliver an orally bioavailable series containing P1 N-benzylamides. Abstract: In this manuscript we demonstrate that a modification principally directed toward the improvement of the aqueous solubility (i.e., introduction a P3 pyridine N-oxide) of the previous lead compound afforded a new series of potent orally bioavailable P1 N-benzylamide thrombin inhibito... aid8949.table aid8949.tbin
8950 1 Title: Potent and orally bioavailable noncysteine-containing inhibitors of protein farnesyltransferase. Abstract: Potent and orally bioavailable nonthiol-containing inhibitors of protein farnesyltransferase are described. Oral bioavailability was achieved by replacement of the pyridyl ether moiety of 1 with a 2-substituted furan ether to give 4. Potency was regained with 2,5-disubstituted furan ethers while maintaining the bioavailability inherent in 4. p-Chlorophenylfuran ether 24 is 0.7 nM in ... aid8950.table aid8950.tbin
8951 1 Title: N-hydroxyformamide peptidomimetics as TACE/matrix metalloprotease inhibitors: oral activity via P1' isobutyl substitution. Abstract: N-Hydroxyformamide-class metalloprotease inhibitors were designed and synthesized, which have potent broad-spectrum activity versus matrix metalloproteases and TNF-alpha converting enzyme (TACE). Compound 13c possesses good oral and intravenous pharmacokinetics in the rat and dog. aid8951.table aid8951.tbin
8952 1 Title: Discovery of potent imidazole and cyanophenyl containing farnesyltransferase inhibitors with improved oral bioavailability. Abstract: A pyridyl moiety was introduced into a previously developed series of farnesyltransferase inhibitors containing imidazole and cyanophenyl (such as 4), resulting in potent inhibitors with improved pharmacokinetics. aid8952.table aid8952.tbin
8953 4 Title: Synthesis and biological distribution of radiolabeled ammineruthenium (III)-amino acid complexes as potential pancreatic imaging agents. Abstract: Complexes of ammine[103Ru]ruthenium(III) with L-histidine, beta-(4-pyridyl)-alpha-alanine, and S-[beta-(4-pyridyl)ethyl]-L-cysteine were synthesized in low specific activity and evaluated in mice as potential radiodiagnostic agents for pancreatic imaging. The biological distribution of each complex was determined in normal mice at 15 min, 1 h, ... aid8953.table aid8953.tbin
8954 4 Title: Synthesis and biological distribution of radiolabeled ammineruthenium (III)-amino acid complexes as potential pancreatic imaging agents. Abstract: Complexes of ammine[103Ru]ruthenium(III) with L-histidine, beta-(4-pyridyl)-alpha-alanine, and S-[beta-(4-pyridyl)ethyl]-L-cysteine were synthesized in low specific activity and evaluated in mice as potential radiodiagnostic agents for pancreatic imaging. The biological distribution of each complex was determined in normal mice at 15 min, 1 h, ... aid8954.table aid8954.tbin
8955 4 Title: Synthesis and biological distribution of radiolabeled ammineruthenium (III)-amino acid complexes as potential pancreatic imaging agents. Abstract: Complexes of ammine[103Ru]ruthenium(III) with L-histidine, beta-(4-pyridyl)-alpha-alanine, and S-[beta-(4-pyridyl)ethyl]-L-cysteine were synthesized in low specific activity and evaluated in mice as potential radiodiagnostic agents for pancreatic imaging. The biological distribution of each complex was determined in normal mice at 15 min, 1 h, ... aid8955.table aid8955.tbin
8956 4 Title: Synthesis and biological distribution of radiolabeled ammineruthenium (III)-amino acid complexes as potential pancreatic imaging agents. Abstract: Complexes of ammine[103Ru]ruthenium(III) with L-histidine, beta-(4-pyridyl)-alpha-alanine, and S-[beta-(4-pyridyl)ethyl]-L-cysteine were synthesized in low specific activity and evaluated in mice as potential radiodiagnostic agents for pancreatic imaging. The biological distribution of each complex was determined in normal mice at 15 min, 1 h, ... aid8956.table aid8956.tbin
8957 2 Title: Development of a new radioligand, N-(5-fluoro-2-phenoxyphenyl)-N-(2-[18F]fluoroethyl-5-methoxybenzyl)acetamide, for pet imaging of peripheral benzodiazepine receptor in primate brain. Abstract: To develop a positron emission tomography (PET) ligand for imaging the 'peripheral benzodiazepine receptor' (PBR) in brain and elucidating the relationship between PBR and brain diseases, four analogues (4-7) of N-(2,5-dimethoxybenzyl)-N-(5-fluoro-2-phenoxyphenyl)acetamide (2) were synthesized and ... aid8957.table aid8957.tbin
8958 1 Title: Development of a new radioligand, N-(5-fluoro-2-phenoxyphenyl)-N-(2-[18F]fluoroethyl-5-methoxybenzyl)acetamide, for pet imaging of peripheral benzodiazepine receptor in primate brain. Abstract: To develop a positron emission tomography (PET) ligand for imaging the 'peripheral benzodiazepine receptor' (PBR) in brain and elucidating the relationship between PBR and brain diseases, four analogues (4-7) of N-(2,5-dimethoxybenzyl)-N-(5-fluoro-2-phenoxyphenyl)acetamide (2) were synthesized and ... aid8958.table aid8958.tbin
8959 1 Title: Synthesis and evaluation of two 18F-labeled 6-iodo-2-(4'-N,N-dimethylamino)phenylimidazo[1,2-a]pyridine derivatives as prospective radioligands for beta-amyloid in Alzheimer's disease. Abstract: This study evaluated (18)F-labeled IMPY [6-iodo-2-(4'-N,N-dimethylamino)phenylimidazo[1,2-a]pyridine] derivatives as agents for imaging beta-amyloid plaque with positron emission tomography (PET). The precursor for radiolabeling and reference compounds was synthesized in up to five steps from comm... aid8959.table aid8959.tbin
8961 1 Title: Synthesis and evaluation of two 18F-labeled 6-iodo-2-(4'-N,N-dimethylamino)phenylimidazo[1,2-a]pyridine derivatives as prospective radioligands for beta-amyloid in Alzheimer's disease. Abstract: This study evaluated (18)F-labeled IMPY [6-iodo-2-(4'-N,N-dimethylamino)phenylimidazo[1,2-a]pyridine] derivatives as agents for imaging beta-amyloid plaque with positron emission tomography (PET). The precursor for radiolabeling and reference compounds was synthesized in up to five steps from comm... aid8961.table aid8961.tbin
8962 1 Title: Synthesis and evaluation of two 18F-labeled 6-iodo-2-(4'-N,N-dimethylamino)phenylimidazo[1,2-a]pyridine derivatives as prospective radioligands for beta-amyloid in Alzheimer's disease. Abstract: This study evaluated (18)F-labeled IMPY [6-iodo-2-(4'-N,N-dimethylamino)phenylimidazo[1,2-a]pyridine] derivatives as agents for imaging beta-amyloid plaque with positron emission tomography (PET). The precursor for radiolabeling and reference compounds was synthesized in up to five steps from comm... aid8962.table aid8962.tbin
8963 1 Title: Synthesis and evaluation of two 18F-labeled 6-iodo-2-(4'-N,N-dimethylamino)phenylimidazo[1,2-a]pyridine derivatives as prospective radioligands for beta-amyloid in Alzheimer's disease. Abstract: This study evaluated (18)F-labeled IMPY [6-iodo-2-(4'-N,N-dimethylamino)phenylimidazo[1,2-a]pyridine] derivatives as agents for imaging beta-amyloid plaque with positron emission tomography (PET). The precursor for radiolabeling and reference compounds was synthesized in up to five steps from comm... aid8963.table aid8963.tbin
8964 1 Title: Synthesis and evaluation of two 18F-labeled 6-iodo-2-(4'-N,N-dimethylamino)phenylimidazo[1,2-a]pyridine derivatives as prospective radioligands for beta-amyloid in Alzheimer's disease. Abstract: This study evaluated (18)F-labeled IMPY [6-iodo-2-(4'-N,N-dimethylamino)phenylimidazo[1,2-a]pyridine] derivatives as agents for imaging beta-amyloid plaque with positron emission tomography (PET). The precursor for radiolabeling and reference compounds was synthesized in up to five steps from comm... aid8964.table aid8964.tbin
8965 1 Title: Synthesis and evaluation of two 18F-labeled 6-iodo-2-(4'-N,N-dimethylamino)phenylimidazo[1,2-a]pyridine derivatives as prospective radioligands for beta-amyloid in Alzheimer's disease. Abstract: This study evaluated (18)F-labeled IMPY [6-iodo-2-(4'-N,N-dimethylamino)phenylimidazo[1,2-a]pyridine] derivatives as agents for imaging beta-amyloid plaque with positron emission tomography (PET). The precursor for radiolabeling and reference compounds was synthesized in up to five steps from comm... aid8965.table aid8965.tbin
8966 2 Title: Synthesis and evaluation of two 18F-labeled 6-iodo-2-(4'-N,N-dimethylamino)phenylimidazo[1,2-a]pyridine derivatives as prospective radioligands for beta-amyloid in Alzheimer's disease. Abstract: This study evaluated (18)F-labeled IMPY [6-iodo-2-(4'-N,N-dimethylamino)phenylimidazo[1,2-a]pyridine] derivatives as agents for imaging beta-amyloid plaque with positron emission tomography (PET). The precursor for radiolabeling and reference compounds was synthesized in up to five steps from comm... aid8966.table aid8966.tbin
8967 1 Title: Synthesis and evaluation of two 18F-labeled 6-iodo-2-(4'-N,N-dimethylamino)phenylimidazo[1,2-a]pyridine derivatives as prospective radioligands for beta-amyloid in Alzheimer's disease. Abstract: This study evaluated (18)F-labeled IMPY [6-iodo-2-(4'-N,N-dimethylamino)phenylimidazo[1,2-a]pyridine] derivatives as agents for imaging beta-amyloid plaque with positron emission tomography (PET). The precursor for radiolabeling and reference compounds was synthesized in up to five steps from comm... aid8967.table aid8967.tbin
8968 2 Title: Synthesis and evaluation of two 18F-labeled 6-iodo-2-(4'-N,N-dimethylamino)phenylimidazo[1,2-a]pyridine derivatives as prospective radioligands for beta-amyloid in Alzheimer's disease. Abstract: This study evaluated (18)F-labeled IMPY [6-iodo-2-(4'-N,N-dimethylamino)phenylimidazo[1,2-a]pyridine] derivatives as agents for imaging beta-amyloid plaque with positron emission tomography (PET). The precursor for radiolabeling and reference compounds was synthesized in up to five steps from comm... aid8968.table aid8968.tbin
8969 1 Title: Synthesis and evaluation of two 18F-labeled 6-iodo-2-(4'-N,N-dimethylamino)phenylimidazo[1,2-a]pyridine derivatives as prospective radioligands for beta-amyloid in Alzheimer's disease. Abstract: This study evaluated (18)F-labeled IMPY [6-iodo-2-(4'-N,N-dimethylamino)phenylimidazo[1,2-a]pyridine] derivatives as agents for imaging beta-amyloid plaque with positron emission tomography (PET). The precursor for radiolabeling and reference compounds was synthesized in up to five steps from comm... aid8969.table aid8969.tbin
8970 3 Title: Synthesis and evaluation of two 18F-labeled 6-iodo-2-(4'-N,N-dimethylamino)phenylimidazo[1,2-a]pyridine derivatives as prospective radioligands for beta-amyloid in Alzheimer's disease. Abstract: This study evaluated (18)F-labeled IMPY [6-iodo-2-(4'-N,N-dimethylamino)phenylimidazo[1,2-a]pyridine] derivatives as agents for imaging beta-amyloid plaque with positron emission tomography (PET). The precursor for radiolabeling and reference compounds was synthesized in up to five steps from comm... aid8970.table aid8970.tbin
8971 5 Title: Structure-activity relationships of the p38alpha MAP kinase inhibitor 1-(5-tert-butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-[4-(2-morpholin-4-yl-ethoxy)naph- thalen-1-yl]urea (BIRB 796). Abstract: We report on the structure-activity relationships (SAR) of 1-(5-tert-butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-[4-(2-morpholin-4-yl-ethoxy)naphthalen-1-yl]urea (BIRB 796), an inhibitor of p38alpha MAP kinase which has advanced into human clinical trials for the treatment of autoimmune diseases. Thermal denatura... aid8971.table aid8971.tbin
8972 1 Title: Structure-activity relationships of the p38alpha MAP kinase inhibitor 1-(5-tert-butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-[4-(2-morpholin-4-yl-ethoxy)naph- thalen-1-yl]urea (BIRB 796). Abstract: We report on the structure-activity relationships (SAR) of 1-(5-tert-butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-[4-(2-morpholin-4-yl-ethoxy)naphthalen-1-yl]urea (BIRB 796), an inhibitor of p38alpha MAP kinase which has advanced into human clinical trials for the treatment of autoimmune diseases. Thermal denatura... aid8972.table aid8972.tbin
8973 8 Title: Structure-activity relationships of the p38alpha MAP kinase inhibitor 1-(5-tert-butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-[4-(2-morpholin-4-yl-ethoxy)naph- thalen-1-yl]urea (BIRB 796). Abstract: We report on the structure-activity relationships (SAR) of 1-(5-tert-butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-[4-(2-morpholin-4-yl-ethoxy)naphthalen-1-yl]urea (BIRB 796), an inhibitor of p38alpha MAP kinase which has advanced into human clinical trials for the treatment of autoimmune diseases. Thermal denatura... aid8973.table aid8973.tbin
8974 2 Title: Structure-activity relationships of the p38alpha MAP kinase inhibitor 1-(5-tert-butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-[4-(2-morpholin-4-yl-ethoxy)naph- thalen-1-yl]urea (BIRB 796). Abstract: We report on the structure-activity relationships (SAR) of 1-(5-tert-butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-[4-(2-morpholin-4-yl-ethoxy)naphthalen-1-yl]urea (BIRB 796), an inhibitor of p38alpha MAP kinase which has advanced into human clinical trials for the treatment of autoimmune diseases. Thermal denatura... aid8974.table aid8974.tbin
8975 2 Title: Synthesis and evaluation of two 18F-labeled 6-iodo-2-(4'-N,N-dimethylamino)phenylimidazo[1,2-a]pyridine derivatives as prospective radioligands for beta-amyloid in Alzheimer's disease. Abstract: This study evaluated (18)F-labeled IMPY [6-iodo-2-(4'-N,N-dimethylamino)phenylimidazo[1,2-a]pyridine] derivatives as agents for imaging beta-amyloid plaque with positron emission tomography (PET). The precursor for radiolabeling and reference compounds was synthesized in up to five steps from comm... aid8975.table aid8975.tbin
8976 1 Title: Design and evaluation of dihydroisoquinolines as potent and orally bioavailable human cytomegalovirus inhibitors. Abstract: Following the identification of first pass metabolism issues with our recently described anti-HCMV compounds, the naphthyridines and isoquinolines, we have designed a class of novel metabolically stable and orally bioavailable anti-HCMV agents, the dihydroisoquinolines. aid8976.table aid8976.tbin
8977 1 Title: Design and evaluation of dihydroisoquinolines as potent and orally bioavailable human cytomegalovirus inhibitors. Abstract: Following the identification of first pass metabolism issues with our recently described anti-HCMV compounds, the naphthyridines and isoquinolines, we have designed a class of novel metabolically stable and orally bioavailable anti-HCMV agents, the dihydroisoquinolines. aid8977.table aid8977.tbin
8978 1 Title: Structure-activity relationship study and drug profile of N-(4-fluorophenylsulfonyl)-L-valyl-L-leucinal (SJA6017) as a potent calpain inhibitor. Abstract: Novel N-arylsulfonyldipeptidyl aldehyde derivatives were prepared by DMSO oxidation from the corresponding dipeptide alcohol, and their potencies as calpain inhibitors were evaluated in vitro. Among them, N-(4-fluorophenylsulfonyl)-l-valyl-l-leucinal (8, SJA6017) potently inhibited calpains. 8 also inhibited cathepsin B and L but did no... aid8978.table aid8978.tbin
8979 1 Title: Structure-activity relationship study and drug profile of N-(4-fluorophenylsulfonyl)-L-valyl-L-leucinal (SJA6017) as a potent calpain inhibitor. Abstract: Novel N-arylsulfonyldipeptidyl aldehyde derivatives were prepared by DMSO oxidation from the corresponding dipeptide alcohol, and their potencies as calpain inhibitors were evaluated in vitro. Among them, N-(4-fluorophenylsulfonyl)-l-valyl-l-leucinal (8, SJA6017) potently inhibited calpains. 8 also inhibited cathepsin B and L but did no... aid8979.table aid8979.tbin
8980 1 Title: The synthesis and biological evaluation of a novel series of indole PDE4 inhibitors I. Abstract: This communication describes the synthesis and in vitro evaluation of a novel potent series of phosphodiesterase type (IV) (PDE4) inhibitors. The compounds described contain an indole moiety which replaces the 'rolipram-like' 3-methoxy-4-cyclopentoxy motif. Several of the compounds presented possess low nanomolar IC50's for PDEIV inhibition. In vivo activities determined from measurement of se... aid8980.table aid8980.tbin
8981 1 Title: The synthesis and biological evaluation of a novel series of indole PDE4 inhibitors I. Abstract: This communication describes the synthesis and in vitro evaluation of a novel potent series of phosphodiesterase type (IV) (PDE4) inhibitors. The compounds described contain an indole moiety which replaces the 'rolipram-like' 3-methoxy-4-cyclopentoxy motif. Several of the compounds presented possess low nanomolar IC50's for PDEIV inhibition. In vivo activities determined from measurement of se... aid8981.table aid8981.tbin
8982 1 Title: Nonpeptidic HIV protease inhibitors: 6-alkyl-5,6-dihydropyran-2-ones possessing achiral 3-(4-amino/carboxamide-2-t-butyl,5-methylphenyl thio) moiety: antiviral activities and pharmacokinetic properties. Abstract: Dihydropyran-2-ones possessing amino and carboxamide functionalities on 3-SPh (2-tert-butyl, 5-methyl) ring were synthesized and evaluated for their antiviral activities. Both the enantiomers of inhibitor 15 were synthesized. The in vitro resistance profile, inhibitory activities... aid8982.table aid8982.tbin
8983 1 Title: Nonpeptidic HIV protease inhibitors: 6-alkyl-5,6-dihydropyran-2-ones possessing achiral 3-(4-amino/carboxamide-2-t-butyl,5-methylphenyl thio) moiety: antiviral activities and pharmacokinetic properties. Abstract: Dihydropyran-2-ones possessing amino and carboxamide functionalities on 3-SPh (2-tert-butyl, 5-methyl) ring were synthesized and evaluated for their antiviral activities. Both the enantiomers of inhibitor 15 were synthesized. The in vitro resistance profile, inhibitory activities... aid8983.table aid8983.tbin
8984 1 Title: Discovery of aminothiazole inhibitors of cyclin-dependent kinase 2: synthesis, X-ray crystallographic analysis, and biological activities. Abstract: High throughput screening identified 2-acetamido-thiazolylthio acetic ester 1 as an inhibitor of cyclin-dependent kinase 2 (CDK2). Because this compound is inactive in cells and unstable in plasma, we have stabilized it to metabolic hydrolysis by replacing the ester moiety with a 5-ethyl-substituted oxazole as in compound 14. Combinatorial an... aid8984.table aid8984.tbin
8985 2 Title: Orally active indole N-oxide PDE4 inhibitors. Abstract: This communication describes the synthesis and in vitro and in vivo evaluation of a novel potent series of phosphodiesterase type (IV) (PDE4) inhibitors. Several of the compounds presented possess low nanomolar IC50's for PDE4 inhibition and excellent in vivo activity for inhibition of TNF-alpha levels in LPS challenged mice (mouse endotoxemia model). Emesis studies (dog) and efficacy in a SCW arthritis model for the most potent PDE4... aid8985.table aid8985.tbin
8986 1 Title: N-(cycloalkylamino)acyl-2-aminothiazole inhibitors of cyclin-dependent kinase 2. N-[5-[[[5-(1,1-dimethylethyl)-2-oxazolyl]methyl]thio]-2-thiazolyl]-4- piperidinecarboxamide (BMS-387032), a highly efficacious and selective antitumor agent. Abstract: N-Acyl-2-aminothiazoles with nonaromatic acyl side chains containing a basic amine were found to be potent, selective inhibitors of CDK2/cycE which exhibit antitumor activity in mice. In particular, compound 21 [N-[5-[[[5-(1,1-dimethylethyl)-2-... aid8986.table aid8986.tbin
8987 1 Biodistribution of [123I]- labeled compound in mice brain was determined after 1 min of administration; expressed in percent of injected dose per gram of organ aid8987.table aid8987.tbin
8988 1 Biodistribution of [123I]- labeled compound in mice brain was determined after 10 min of administration; expressed in percent of injected dose per gram of organ aid8988.table aid8988.tbin
8989 1 Biodistribution of [123I]- labeled compound in mice brain was determined after 15 sec of administration; expressed in percent of injected dose per gram of organ aid8989.table aid8989.tbin
8990 1 Biodistribution of [123I]- labeled compound in mice brain was determined after 2 min of administration; expressed in percent of injected dose per gram of organ aid8990.table aid8990.tbin
8991 1 Biodistribution of [123I]- labeled compound in mice brain was determined after 30 sec of administration; expressed in percent of injected dose per gram of organ aid8991.table aid8991.tbin
8992 1 Biodistribution of [123I]- labeled compound in mice brain was determined after 5 min of administration; expressed in percent of injected dose per gram of organ aid8992.table aid8992.tbin
8993 1 Biodistribution of [123I]- labeled compound in mice heart was determined after 10 min of administration; expressed in percent of injected dose per gram of organ aid8993.table aid8993.tbin
8994 1 Biodistribution of [123I]- labeled compound in mice heart was determined after 15 sec of administration; expressed in percent of injected dose per gram of organ aid8994.table aid8994.tbin
8995 1 Biodistribution of [123I]- labeled compound in mice heart was determined after 1 min of administration; expressed in percent of injected dose per gram of organ aid8995.table aid8995.tbin
8996 1 Biodistribution of [123I]- labeled compound in mice heart was determined after 2 min of administration; expressed in percent of injected dose per gram of organ aid8996.table aid8996.tbin
8997 2 Cytotoxic activity was tested against human prostate cell line A-549 (lung carcinoma) aid8997.table aid8997.tbin
8998 15 Title: On the relationship of OSW-1 to the cephalostatins. Abstract: Antineoplastic bis-steroidal (cephalostatin-type) analogues of the saponin OSW-1 were produced from a dihydroaglycone of OSW-1. The key aglycone 6H was obtained from 5alpha-androstan-3beta-ol-17-one in 8 steps (38% yield). The SAR of the aglycones, intermediates, and hybrid analogues provide insights regarding the proposed common role of C22-oxocarbenium ions in the bioactivity of both OSW-1 and cephalostatins. aid8998.table aid8998.tbin
8999 4 Cytotoxicity against human lung carcinoma A-549 cell lines aid8999.table aid8999.tbin
9000 2 Title: Robinlin: a novel bioactive homo-monoterpene from Robinia pseudoacacia L. (Fabaceae). Abstract: A bioactivity-directed fractionation of the ethanolic extracts of Robinia pseudoacacia L. (Fabaceae) afforded robinlin (1), a novel homo-monoterpene. The structure of 1 was elucidated by spectral analyses of the parent compound as well as its derivatives; 1 showed strong bioactivity in the brine shrimp lethality test (BST). aid9000.table aid9000.tbin
9001 2 In vitro cytotoxicity against human lung carcinoma cell line A-549 aid9001.table aid9001.tbin
9002 1 In vitro cytotoxicity against human lung carcinoma cell line A-549 at 3.6*10e-5 M aid9002.table aid9002.tbin
9003 1 In vitro cytotoxicity against human lung carcinoma cell line A-549 at 4.2*10e-5M aid9003.table aid9003.tbin
9004 1 In vitro cytotoxicity against human lung carcinoma cell line A-549 at 4.3*10e-5M aid9004.table aid9004.tbin
9005 1 In vitro cytotoxicity against human lung carcinoma cell line A-549 at 5.0*10e-5M aid9005.table aid9005.tbin
9006 1 In vitro cytotoxicity against human lung carcinoma cell line A-549 at 6.1*10e-5 M aid9006.table aid9006.tbin
9007 1 In vitro cytotoxicity against human lung carcinoma cell line A-549 at 7.4*10e-5 M aid9007.table aid9007.tbin
9008 10 Title: Antitumor agents. 196. Substituted 2-thienyl-1,8-naphthyridin-4-ones: their synthesis, cytotoxicity, and inhibition of tubulin polymerization. Abstract: As part of our continuing search for potential anticancer drug candidates in the 2-aryl-1,8-naphthyridin-4-one series, we have synthesized a series of substituted 2-thienyl-1, 8-naphthyridin-4-ones. Most compounds showed significant cytotoxic effects (log GI(50) &lt; -4.0; log molar drug concentration required to cause 50% growth inhibiti... aid9008.table aid9008.tbin
9009 9 Title: Antitumor agents. Part 202: novel 2'-amino chalcones: design, synthesis and biological evaluation. Abstract: New 4',5',2,3,4-substituted 2'-amino chalcones were synthesized and evaluated for cytotoxicity against a panel of human tumor cell lines. Several compounds displayed significant cytotoxicity. The most promising lead molecule (10) also had high activity toward multi-drug resistant KB-VIN, and ovarian 1A9 cell lines. 2'-Amino chalcones demonstrated significantly increased antitumor a... aid9009.table aid9009.tbin
9010 7 In vitro cytotoxicity in human tumor lung carcinoma A-549 cell lines aid9010.table aid9010.tbin
9011 27 Title: 6-Alkylamino- and 2,3-dihydro-3'-methoxy-2-phenyl-4-quinazolinones and related compounds: their synthesis, cytotoxicity, and inhibition of tubulin polymerization. Abstract: As part of our continuing search for potential anticancer candidates among 2-phenyl-4-quinolones and 2-phenyl-4-quinazolinones, two series of 6,7,2',3',4',5'-substituted 2-phenyl-4-quinazolinones and 6,2',3',4',5'-substituted 2,3-dihydro-2-phenyl-4-quinazolinones were synthesized and evaluated for cytotoxicity and as i... aid9011.table aid9011.tbin
9012 6 Title: Asimin, asiminacin, and asiminecin: novel highly cytotoxic asimicin isomers from Asimina triloba. Abstract: Activity-directed fractionation of the stem bark extracts of the North American paw paw tree, Asimina triloba (Annonaceae), has yielded three further acetogenins: asimin (2), asiminacin (3), and asiminecin (4). 2-4 are structural isomers of asimicin (1), which is a potent inhibitor of mitochondrial NADH:ubiquinone oxidoreductase, and thus exhibits potent antitumor and pesticidal eff... aid9012.table aid9012.tbin
9013 1 The compound was tested for cytotoxicity against A-549 cell in human lung carcinoma aid9013.table aid9013.tbin
9014 23 Title: Antitumor agents. 181. Synthesis and biological evaluation of 6,7,2',3',4'-substituted-1,2,3,4-tetrahydro-2-phenyl-4-quinolones as a new class of antimitotic antitumor agents. Abstract: A novel series of 6,7,2',3',4'-substituted-1,2,3,4-tetrahydro-2-phenyl- 4-quinolones were synthesized and evaluated for interactions with tubulin and for cytotoxic activity against a panel of human tumor cell lines, including ileocecal carcinoma (HCT-8), breast cancer (MCF-7), lung carcinoma (A-549), epide... aid9014.table aid9014.tbin
9015 11 Title: Synthesis, topoisomerase I inhibition and antitumor cytotoxicity of 2,2':6',2&quot;-, 2,2':6',3&quot;- and 2,2':6',4&quot;-terpyridine derivatives. Abstract: For the development of new anticancer agents, 2,2':6',2&quot;-, 2,2':6',3&quot;- and 2,2':6',4&quot;-terpyridine derivatives were designed and evaluated for their topoisomerase I inhibitory activity and antitumor cytotoxicity. Structure-activity relationship studies indicated that 2,2':6',2&quot;-terpyridine derivatives were highly c... aid9015.table aid9015.tbin
9016 7 Title: Antitumor agents. Part 3: synthesis and cytotoxicity of new trans-stilbene benzenesulfonamide derivatives. Abstract: A new series of trans-stilbene benzenesulfonamide derivatives were designed and synthesized as potential antitumor agents. These new compounds were evaluated in the National Cancer Institute's 60 human tumor cell line in vitro screen. Compounds 9-13 were cytotoxic against several cell lines. Notably, two compounds, 9 and 12, demonstrated selective cytotoxic activity against... aid9016.table aid9016.tbin
9017 2 Title: Synthesis, biological activity and comparative analysis of DNA binding affinities and human DNA topoisomerase I inhibitory activities of novel 12-alkoxy-benzo[c]phenanthridinium salts. Abstract: New antitumor 12-alkoxy-benzo[c]phenanthridinium derivatives were obtained in high yields through multistep syntheses. Analysis of DNA binding and human DNA topoisomerase I inhibitory activities demonstrates that new compounds, combining 2, 6, and 12 substitutions, interact strongly with DNA and e... aid9017.table aid9017.tbin
9018 18 Antineoplastic activity against A-549 (human lung carcinoma) cell line. aid9018.table aid9018.tbin
9019 3 Title: Synthesis and antitumoral activities of marine ent-chromazonarol and related compounds. Abstract: Efficient syntheses of ent-isozonarol (6a), ent-isozonarone (7a) and ent-chromazonarol (8) from (-)-sclareol (12) are described. 6a and 7a show a significative antitumoral activity. aid9019.table aid9019.tbin
9020 6 Compound was evaluated for the cytotoxicity against A-549 tumor cell line after 3 days of incubation aid9020.table aid9020.tbin
9021 3 Title: Synthesis, biological activity and comparative analysis of DNA binding affinities and human DNA topoisomerase I inhibitory activities of novel 12-alkoxy-benzo[c]phenanthridinium salts. Abstract: New antitumor 12-alkoxy-benzo[c]phenanthridinium derivatives were obtained in high yields through multistep syntheses. Analysis of DNA binding and human DNA topoisomerase I inhibitory activities demonstrates that new compounds, combining 2, 6, and 12 substitutions, interact strongly with DNA and e... aid9021.table aid9021.tbin
9022 17 Title: Synthesis and biological evaluation of C-3'-modified analogs of 9(R)-dihydrotaxol. Abstract: Taxol (1) is considered a most exciting new drug in cancer chemotherapy. The promising antitumor activity of 9(R)-dihydrotaxol (3) encouraged us to further explore the structure-activity relationship of this new member of the taxane family. Studies indicated that the C-13 side chain of taxol is indispensable for antitumor activity and that the natural substitution pattern of a 2'(R)-hydroxy and a ... aid9022.table aid9022.tbin
9023 12 Compound was tested for inhibition of cell growth of A-549 cells aid9023.table aid9023.tbin
9024 6 Compound was tested for its inhibitory effect on the growth of A-549 tumor cell line from lung. aid9024.table aid9024.tbin
9025 6 Title: Synthesis and anticancer evaluation of vitamin K(3) analogues. Abstract: Novel vitamin K(3) analogues were synthesized and evaluated for their anticancer activity. Compound 6, 9, 10, 11, 14, and (+/-)15 demonstrated a strong inhibitory activity against the tumor cells of A-549, Hep G2, MCF7, MES-SA, MES-SA/Dx5, MKN45, SW-480, and TW-039. Compound (+/-)15 displayed potent tumor cell cytotoxicity, and compound 14 selectively affected MCF7, even though it did not influence normal cells Detro... aid9025.table aid9025.tbin
9026 17 In vitro cytotoxicity against A549-human lung carcinoma cells. aid9026.table aid9026.tbin
9027 26 Title: New selective cytotoxic diterpenylquinones and diterpenylhydroquinones. Abstract: A new series of diterpenylquinone/hydroquinones has been prepared by Diels-Alder cycloaddition between three labdanic diterpenoids (myrceocommunic acid, methyl myrceocommunate, and myrceocommunyl acetate) and p-benzoquinone or 1,4-naphthoquinone. Influences of the quinone/hydroquinone fragment and other structural features, such as the different functionalities in the terpenic core, are considered in relatio... aid9027.table aid9027.tbin
9028 3 Cytotoxic activity against A-549 cell lines. aid9028.table aid9028.tbin
9029 15 Cytotoxicity was measured against neoplastic cultured A-549 cells of human lung carcinoma. aid9029.table aid9029.tbin
9030 9 Cytotoxicity against human A549 non small cell lung cell lines aid9030.table aid9030.tbin
9031 21 Title: Novel antitumor 2-cyanoaziridine-1-carboxamides. Abstract: A set of 20 2-cyanoaziridine-1-carboxamides was synthesized from 2-cyanoaziridine and appropriate isocyanates. These compounds were active against a variety of solid and hematological tumor cells in culture, including strains resistant to doxorubicin and mitoxantrone. Their potencies in these assays correlated with the lipophilicity of substituents. The N-phenyl derivative was more potent and equally effective to imexon, a cyclize... aid9031.table aid9031.tbin
9032 2 Title: Uncarinic acids: phospholipase Cgamma1 inhibitors from hooks of Uncaria rhynchophylla. Abstract: Bioactivity-guided fractionation of the CHCl3 extract from hooks of Uncaria rhynchophylla led to the isolation of two triterpene esters, namely uncarinic acids A (1) and B (2). Their structures were established by spectroscopic and chemical methods. These compounds inhibited phospholipase Cgamma1 with IC50 values of 35.66 and 44.55 microM, respectively. aid9032.table aid9032.tbin
9033 14 Title: Synthesis of cytotoxic 6E-hydroximino-4-ene steroids: structure/activity studies. Abstract: In an effort to determine the pharmaceutical utility and the structural requirements for activity against various tumor cell lines, several 6E-hydroximino-4-ene steroids with different side chains and degrees of unsaturation on ring A were synthesized in our laboratory. Evaluation of the synthesized compounds for cytotoxicity against P-388, A-549, HT-29, and MEL-28 tumor cells revealed that some im... aid9033.table aid9033.tbin
9034 17 Title: Synthesis and in vitro antitumor activity of phenanthrolin-7-one derivatives, analogues of the marine pyridoacridine alkaloids ascididemin and meridine: structure-activity relationship. Abstract: A series of substituted pyrido[4,3,2-de][1,7] or [1,10]-phenanthrolin-7-ones, analogues of the marine pyridoacridines meridine and ascididemin, have been synthesized on the basis of Diels-Alder reactions involving different quinoline-5,8-diones and N,N-aldehyde-dimethylhydrazones. All the compoun... aid9034.table aid9034.tbin
9035 1 Title: Lingshuiol, a novel polyhydroxyl compound with strongly cytotoxic activity from the marine dinoflagellate Amphidinium sp. Abstract: A novel polyhydroxy compound with a linear carbon-chain, lingshuiol (1), had been isolated from the cultured marine dinoflagellate Amphidinium sp. Its structure was elucidated by extensive analysis of 2D NMR spectral data. Lingshuiol possessed a powerful cytotoxic activity against A-549 and HL-60 cells in vitro with the IC(50) of 0.21 and 0.23 microM, respect... aid9035.table aid9035.tbin
9036 5 In vitro cytotoxicity against human lung carcinoma A-549 cell line aid9036.table aid9036.tbin
9037 6 Title: Structure-activity relationships of new taxoids derived from 14 beta-hydroxy-10-deacetylbaccatin III. aid9037.table aid9037.tbin
9038 1 Title: New analgesic drugs derived from phencyclidine. Abstract: Several esters of 1-(1-phenylcyclohexyl)-4-piperidinol (3), 1-(1-phenylcyclohexyl)-4-phenyl-4-piperidinol (10) and its propionate (11), and 1-(1-phenylcyclohexyl)-4-phenylpiperidine (13) were prepared and characterized. The new compounds, which are derived from phencyclidine, exerted analgesic activity in mice. The most potent is 10, which is twice as active as morphine. The antinociceptive activity of 10, 11, and 13 could be well ... aid9038.table aid9038.tbin
9039 21 Title: Synthesis and cytotoxicity of hydrophobic esters of podophyllotoxins. Abstract: Diverse norbornenecarboxylate esters of podophyllotoxin and its epimers and diastereoisomers have been prepared through Diels-Alder cycloaddition by treating the dienophilic acrylates of cyclolignans with cyclopentadiene. Their cytotoxicities against several cancer cell lines have been evaluated and the results compared with those found for other lignan esters. Podophyllotoxin adducts showed a one-fold increas... aid9039.table aid9039.tbin
9040 1 Title: Synthesis and antitumor activity of s-tetrazine derivatives. Abstract: Fifty-five compounds of s-tetrazine derivative including hexahydro-, 1,6-dihydro, 1,4-dihydro-, 1,2-dihydro- and aromatic s-tetrazine were prepared. Their antitumor activities were evaluated in vitro by MTT method for P-388 cell and SRB method for A-549 cell. The results show that there are 9 compounds which in 10(-6) microM have more than 50% inhibition rate to A-549 cancer cell growth, and 7 compounds in 10(-6) micro... aid9040.table aid9040.tbin
9041 1 Tested for the cytostatic activity as inhibitory concentration against A-549 human pulmonary adenocarcinoma cells aid9041.table aid9041.tbin
9042 2 Title: Synthesis and cytotoxicity of 2-acetyl-4,8-dihydrobenzodithiophene-4, 8-dione derivatives. Abstract: 2-Acetyl-4,8-dihydrobenzo[1,2-b:4,5-b']dithiophene-4,8-dione (9) and 2-acetyl-4,8-dihydrobenzo[1,2-b:5,4-b']dithiophene-4,8-dione (19), together with 10 related mono- and disubstituted derivatives, were synthesized and evaluated in vitro by NCI against eight cancer types. All compounds showed significant activity against melanoma, HL-60 leukemia, NCI-H23 non-small-cell lung cancer, OVCAR-3... aid9042.table aid9042.tbin
9043 15 Title: 6-Alkylamino- and 2,3-dihydro-3'-methoxy-2-phenyl-4-quinazolinones and related compounds: their synthesis, cytotoxicity, and inhibition of tubulin polymerization. Abstract: As part of our continuing search for potential anticancer candidates among 2-phenyl-4-quinolones and 2-phenyl-4-quinazolinones, two series of 6,7,2',3',4',5'-substituted 2-phenyl-4-quinazolinones and 6,2',3',4',5'-substituted 2,3-dihydro-2-phenyl-4-quinazolinones were synthesized and evaluated for cytotoxicity and as i... aid9043.table aid9043.tbin
9044 1 Title: 6-Alkylamino- and 2,3-dihydro-3'-methoxy-2-phenyl-4-quinazolinones and related compounds: their synthesis, cytotoxicity, and inhibition of tubulin polymerization. Abstract: As part of our continuing search for potential anticancer candidates among 2-phenyl-4-quinolones and 2-phenyl-4-quinazolinones, two series of 6,7,2',3',4',5'-substituted 2-phenyl-4-quinazolinones and 6,2',3',4',5'-substituted 2,3-dihydro-2-phenyl-4-quinazolinones were synthesized and evaluated for cytotoxicity and as i... aid9044.table aid9044.tbin
9045 3 Title: Monofunctional platinum complexes showing potent cytotoxicity against human liver carcinoma cell line BEL-7402. Abstract: Three novel Pt(II) complexes [PtL(1)'Cl] I (L(1)' = glycine-N'-8-quinolylamide), [PtL(2)'Cl] II (L(2)' = l-alanine-N'-8-quinolylamide), and [PtL(3)Cl] III [L(3) = N-(tert-butoxycarbonyl)-l-methionine-N'-8-quinolylamide] have been synthesized and characterized. The crystal structure of complexes II and III showed that the ligands are three-coordinated with only one Cl(-... aid9045.table aid9045.tbin
9046 3 Title: Monofunctional platinum complexes showing potent cytotoxicity against human liver carcinoma cell line BEL-7402. Abstract: Three novel Pt(II) complexes [PtL(1)'Cl] I (L(1)' = glycine-N'-8-quinolylamide), [PtL(2)'Cl] II (L(2)' = l-alanine-N'-8-quinolylamide), and [PtL(3)Cl] III [L(3) = N-(tert-butoxycarbonyl)-l-methionine-N'-8-quinolylamide] have been synthesized and characterized. The crystal structure of complexes II and III showed that the ligands are three-coordinated with only one Cl(-... aid9046.table aid9046.tbin
9047 3 Title: Monofunctional platinum complexes showing potent cytotoxicity against human liver carcinoma cell line BEL-7402. Abstract: Three novel Pt(II) complexes [PtL(1)'Cl] I (L(1)' = glycine-N'-8-quinolylamide), [PtL(2)'Cl] II (L(2)' = l-alanine-N'-8-quinolylamide), and [PtL(3)Cl] III [L(3) = N-(tert-butoxycarbonyl)-l-methionine-N'-8-quinolylamide] have been synthesized and characterized. The crystal structure of complexes II and III showed that the ligands are three-coordinated with only one Cl(-... aid9047.table aid9047.tbin
9048 1 Title: Monofunctional platinum complexes showing potent cytotoxicity against human liver carcinoma cell line BEL-7402. Abstract: Three novel Pt(II) complexes [PtL(1)'Cl] I (L(1)' = glycine-N'-8-quinolylamide), [PtL(2)'Cl] II (L(2)' = l-alanine-N'-8-quinolylamide), and [PtL(3)Cl] III [L(3) = N-(tert-butoxycarbonyl)-l-methionine-N'-8-quinolylamide] have been synthesized and characterized. The crystal structure of complexes II and III showed that the ligands are three-coordinated with only one Cl(-... aid9048.table aid9048.tbin
9049 2 Title: Inhibitors of multidrug resistance (MDR) have affinity for MDR substrates. Abstract: Multidrug-resistance (MDR) occurs in many bacterial species and tumour cells. MDR functions by membrane proteins which export drugs from cells, resulting in a low ineffective concentration of the drug. We have shown by molecular modelling that inhibitors of MDR have affinity for substrates of MDR transporters. This affinity may facilitate drug entry into cells and a large inhibitor-drug complex may be a p... aid9049.table aid9049.tbin
9050 4 Title: Novel tricyclic poly(ADP-ribose) polymerase-1 inhibitors with potent anticancer chemopotentiating activity: design, synthesis, and X-ray cocrystal structure. Abstract: A series of novel compounds have been designed that are potent inhibitors of poly(ADP-ribose) polymerase-1 (PARP-1), and the activity and physical properties have been characterized. The new structural classes, 3,4,5,6-tetrahydro-1H-azepino[5,4,3-cd]indol-6-ones and 3,4-dihydropyrrolo[4,3,2-de]isoquinolin-5-(1H)-ones, have ... aid9050.table aid9050.tbin
9051 4 Title: Ethylene glycol and amino acid derivatives of 5-aminolevulinic acid as new photosensitizing precursors of protoporphyrin IX in cells. Abstract: Protoporphyrin IX (PpIX) is used as a photosensitizing agent in photodynamic detection and therapy (PDT) of cancer and is synthesized intracellularly from aminolevulinic acid (ALA) precursors. To evaluate means to specifically target ALA derivatives to defined cells, we have synthesized and characterized ethylene glycol esters and amino acid pseud... aid9051.table aid9051.tbin
9052 3 Title: Antitumor agents 200. Cytotoxicity of naturally occurring resveratrol oligomers and their acetate derivatives. Abstract: Eleven resveratrol oligomers and six acetylated derivatives were evaluated for in vitro cytotoxicity against a panel of human tumor cell lines. The acetate of (-)-ampelopsin A (12) showed potent and selective cytotoxic activity with ED50 values of 0.6, 0.7 and 2.0 microg/mL against KB, 1A9 and MCF-7 cells, respectively. Hopeaphenol (10) and pallidol hexaacetate (13) als... aid9052.table aid9052.tbin
9053 3 Title: Antitumor agents 200. Cytotoxicity of naturally occurring resveratrol oligomers and their acetate derivatives. Abstract: Eleven resveratrol oligomers and six acetylated derivatives were evaluated for in vitro cytotoxicity against a panel of human tumor cell lines. The acetate of (-)-ampelopsin A (12) showed potent and selective cytotoxic activity with ED50 values of 0.6, 0.7 and 2.0 microg/mL against KB, 1A9 and MCF-7 cells, respectively. Hopeaphenol (10) and pallidol hexaacetate (13) als... aid9053.table aid9053.tbin
9054 2 Title: Antitumor agents. Part 218: Cappamensin A, a new In vitro anticancer principle, from Capparis sikkimensis. Abstract: A new inhibitor of in vitro tumor cell replication, cappamensin A (1) (2H-1,4-benzoxazin-3(4H)-one, 6-methoxy-2-methyl-4-carbaldehyde), was isolated from the roots of Capparis sikkimensis subsp. formosana using bioactivity-guided fractionation. The structure of 1 was established by spectroscopic methods, including 2D NMR analyses. Compound 1 displayed significant in vitro a... aid9054.table aid9054.tbin
9055 3 Title: Tricyclic benzimidazoles as potent poly(ADP-ribose) polymerase-1 inhibitors. Abstract: Novel tricyclic benzimidazole carboxamide poly(ADP-ribose) polymerase-1 (PARP-1) inhibitors have been synthesized. Several compounds were found to be powerful chemopotentiators of temozolomide and topotecan in both A549 and LoVo cell lines. In vitro inhibition of PARP-1 was confirmed by direct measurement of NAD+ depletion and ADP-ribose polymer formation caused by chemically induced DNA damage. aid9055.table aid9055.tbin
9056 1 Title: Tricyclic benzimidazoles as potent poly(ADP-ribose) polymerase-1 inhibitors. Abstract: Novel tricyclic benzimidazole carboxamide poly(ADP-ribose) polymerase-1 (PARP-1) inhibitors have been synthesized. Several compounds were found to be powerful chemopotentiators of temozolomide and topotecan in both A549 and LoVo cell lines. In vitro inhibition of PARP-1 was confirmed by direct measurement of NAD+ depletion and ADP-ribose polymer formation caused by chemically induced DNA damage. aid9056.table aid9056.tbin
9057 1 Title: Tricyclic benzimidazoles as potent poly(ADP-ribose) polymerase-1 inhibitors. Abstract: Novel tricyclic benzimidazole carboxamide poly(ADP-ribose) polymerase-1 (PARP-1) inhibitors have been synthesized. Several compounds were found to be powerful chemopotentiators of temozolomide and topotecan in both A549 and LoVo cell lines. In vitro inhibition of PARP-1 was confirmed by direct measurement of NAD+ depletion and ADP-ribose polymer formation caused by chemically induced DNA damage. aid9057.table aid9057.tbin
9058 1 Title: Tricyclic benzimidazoles as potent poly(ADP-ribose) polymerase-1 inhibitors. Abstract: Novel tricyclic benzimidazole carboxamide poly(ADP-ribose) polymerase-1 (PARP-1) inhibitors have been synthesized. Several compounds were found to be powerful chemopotentiators of temozolomide and topotecan in both A549 and LoVo cell lines. In vitro inhibition of PARP-1 was confirmed by direct measurement of NAD+ depletion and ADP-ribose polymer formation caused by chemically induced DNA damage. aid9058.table aid9058.tbin
9059 1 Title: Tricyclic benzimidazoles as potent poly(ADP-ribose) polymerase-1 inhibitors. Abstract: Novel tricyclic benzimidazole carboxamide poly(ADP-ribose) polymerase-1 (PARP-1) inhibitors have been synthesized. Several compounds were found to be powerful chemopotentiators of temozolomide and topotecan in both A549 and LoVo cell lines. In vitro inhibition of PARP-1 was confirmed by direct measurement of NAD+ depletion and ADP-ribose polymer formation caused by chemically induced DNA damage. aid9059.table aid9059.tbin
9060 1 Title: Tricyclic benzimidazoles as potent poly(ADP-ribose) polymerase-1 inhibitors. Abstract: Novel tricyclic benzimidazole carboxamide poly(ADP-ribose) polymerase-1 (PARP-1) inhibitors have been synthesized. Several compounds were found to be powerful chemopotentiators of temozolomide and topotecan in both A549 and LoVo cell lines. In vitro inhibition of PARP-1 was confirmed by direct measurement of NAD+ depletion and ADP-ribose polymer formation caused by chemically induced DNA damage. aid9060.table aid9060.tbin
9061 4 Title: Crystal structure of human cyclin-dependent kinase 2 in complex with the adenine-derived inhibitor H717. Abstract: Cyclin-dependent kinases (CDKs) are regulatory proteins of the eukaryotic cell cycle. They act after association with different cyclins, the concentrations of which vary throughout the progression of the cell cycle. As central mediators of cell growth, CDKs are potential targets for inhibitory molecules that would allow disruption of the cell cycle in order to evoke an antipr... aid9061.table aid9061.tbin
9062 1 Title: Inhibitors of human histone deacetylase: synthesis and enzyme and cellular activity of straight chain hydroxamates. Abstract: Inhibitors of histone deacetylase (HDAC) have been shown to induce terminal differentiation of human tumor cell lines and to have antitumor effects in vivo. We have prepared analogues of suberoylanilide hydroxamic acid (SAHA) and trichostatin A and have evaluated them in a human HDAC enzyme inhibition assay, a p21(waf1) (p21) promoter assay, and in monolayer growth... aid9062.table aid9062.tbin
9063 17 Title: Synthesis and in vitro cytotoxicity of hexacyclic camptothecin analogues. Abstract: A series of C(7)-N-alkylaminoethyl-C(10), C(11)-methylenedioxy- and ethylenedioxy-camptothecin (3a-g, 4a-b) were prepared. Their syntheses and in vitro cytotoxicity were reported. Among 15 derivatives, 3a and 3b showed more potent cytotoxicity than Camptothecin, especially in CAOV-3 cell line. aid9063.table aid9063.tbin
9064 5 Title: Novel pyrrolo[2,3-d]pyrimidine antifolates: synthesis and antitumor activities. Abstract: New antifolates, characterized by a 6-5 fused ring system, a pyrrolo[2,3-d]pyrimidine ring, and a trimethylene bridge at position 5 (12a,b and 13a,b) were designed and efficiently synthesized. The synthetic method included (1) construction of the key intermediary acyclic skeleton, 5-[4-(tert-butoxycarbonyl)phenyl]- 2-(dicyanomethyl)pentanoates (6a,b), (2) cyclization with guanidine, followed by reduc... aid9064.table aid9064.tbin
9065 14 Title: Design and synthesis of some new pyranoxanthenone aminoderivatives with cytotoxic activity. Abstract: The synthesis, DNA binding and in vitro cytotoxicity of a series of novel pyranoxanthones, analogues of the acridone alcaloid acronycine, are described. The new compounds proved to bind weakly to DNA. On the contrary, they exhibited interesting cytotoxic activity against murine leukemia L1210 cell line, as well as against some human solid tumor cell lines. aid9065.table aid9065.tbin
9066 3 Title: Identification of TNF-alpha inhibitors from a split-pool library based on a tyrosine-proline peptidomimetic scaffold. Abstract: The design and synthesis of a combinatorial library based on a 4-aryloxyproline scaffold with tyrosine as the aryl portion is described. The 1728 member library was prepared using the split-pool method to generate pools of compounds. Screening of the library components as mixtures followed by deconvolution led to the discovery of novel inhibitors of TNF-alpha ind... aid9066.table aid9066.tbin
9067 2 Title: Identification of TNF-alpha inhibitors from a split-pool library based on a tyrosine-proline peptidomimetic scaffold. Abstract: The design and synthesis of a combinatorial library based on a 4-aryloxyproline scaffold with tyrosine as the aryl portion is described. The 1728 member library was prepared using the split-pool method to generate pools of compounds. Screening of the library components as mixtures followed by deconvolution led to the discovery of novel inhibitors of TNF-alpha ind... aid9067.table aid9067.tbin
9068 2 Title: Identification of TNF-alpha inhibitors from a split-pool library based on a tyrosine-proline peptidomimetic scaffold. Abstract: The design and synthesis of a combinatorial library based on a 4-aryloxyproline scaffold with tyrosine as the aryl portion is described. The 1728 member library was prepared using the split-pool method to generate pools of compounds. Screening of the library components as mixtures followed by deconvolution led to the discovery of novel inhibitors of TNF-alpha ind... aid9068.table aid9068.tbin
9069 5 Title: Antitumor agents. 207. Design, synthesis, and biological testing of 4beta-anilino-2-fluoro-4'-demethylpodophyllotoxin analogues as cytotoxic and antiviral agents. Abstract: 2-Fluoropodophyllotoxin (11) and several 4beta-anilino-2-fluoro-4'-O-demethyl analogues were synthesized and evaluated in both antineoplastic and antiviral assays. These compounds were moderately active against some cancer cell lines, but they were less active than the corresponding nonfluorinated analogues. Compound 1... aid9069.table aid9069.tbin
9070 5 Title: Antitumor agents. 207. Design, synthesis, and biological testing of 4beta-anilino-2-fluoro-4'-demethylpodophyllotoxin analogues as cytotoxic and antiviral agents. Abstract: 2-Fluoropodophyllotoxin (11) and several 4beta-anilino-2-fluoro-4'-O-demethyl analogues were synthesized and evaluated in both antineoplastic and antiviral assays. These compounds were moderately active against some cancer cell lines, but they were less active than the corresponding nonfluorinated analogues. Compound 1... aid9070.table aid9070.tbin
9071 5 Title: Antitumor agents. 207. Design, synthesis, and biological testing of 4beta-anilino-2-fluoro-4'-demethylpodophyllotoxin analogues as cytotoxic and antiviral agents. Abstract: 2-Fluoropodophyllotoxin (11) and several 4beta-anilino-2-fluoro-4'-O-demethyl analogues were synthesized and evaluated in both antineoplastic and antiviral assays. These compounds were moderately active against some cancer cell lines, but they were less active than the corresponding nonfluorinated analogues. Compound 1... aid9071.table aid9071.tbin
9072 1 Title: Antitumor agents. Part 218: Cappamensin A, a new In vitro anticancer principle, from Capparis sikkimensis. Abstract: A new inhibitor of in vitro tumor cell replication, cappamensin A (1) (2H-1,4-benzoxazin-3(4H)-one, 6-methoxy-2-methyl-4-carbaldehyde), was isolated from the roots of Capparis sikkimensis subsp. formosana using bioactivity-guided fractionation. The structure of 1 was established by spectroscopic methods, including 2D NMR analyses. Compound 1 displayed significant in vitro a... aid9072.table aid9072.tbin
9073 12 Title: Synthesis and antitumor evaluation of novel monoindolyl-4-trifluoromethylpyridines and bisindolyl-4-trifluoromethylpyridines. Abstract: A series of novel monoindolyl-4-trifluoromethylpyridines and bisindolyl-4-trifluoromethylpyridines was designed and synthesized as potential antitumor agents. They were evaluated for preliminary cytotoxic activity against P388 and A-549 cells with IC50 values. 4-Trifluoromethyl-2,6-bis[3'-(N-tosyl-6'-methoxyl-indolyl)] pyridine was identified as the most ... aid9073.table aid9073.tbin
9074 12 Title: Synthesis and antitumor evaluation of novel monoindolyl-4-trifluoromethylpyridines and bisindolyl-4-trifluoromethylpyridines. Abstract: A series of novel monoindolyl-4-trifluoromethylpyridines and bisindolyl-4-trifluoromethylpyridines was designed and synthesized as potential antitumor agents. They were evaluated for preliminary cytotoxic activity against P388 and A-549 cells with IC50 values. 4-Trifluoromethyl-2,6-bis[3'-(N-tosyl-6'-methoxyl-indolyl)] pyridine was identified as the most ... aid9074.table aid9074.tbin
9075 12 Title: Synthesis and antitumor evaluation of novel monoindolyl-4-trifluoromethylpyridines and bisindolyl-4-trifluoromethylpyridines. Abstract: A series of novel monoindolyl-4-trifluoromethylpyridines and bisindolyl-4-trifluoromethylpyridines was designed and synthesized as potential antitumor agents. They were evaluated for preliminary cytotoxic activity against P388 and A-549 cells with IC50 values. 4-Trifluoromethyl-2,6-bis[3'-(N-tosyl-6'-methoxyl-indolyl)] pyridine was identified as the most ... aid9075.table aid9075.tbin
9076 12 Title: Synthesis and antitumor evaluation of novel monoindolyl-4-trifluoromethylpyridines and bisindolyl-4-trifluoromethylpyridines. Abstract: A series of novel monoindolyl-4-trifluoromethylpyridines and bisindolyl-4-trifluoromethylpyridines was designed and synthesized as potential antitumor agents. They were evaluated for preliminary cytotoxic activity against P388 and A-549 cells with IC50 values. 4-Trifluoromethyl-2,6-bis[3'-(N-tosyl-6'-methoxyl-indolyl)] pyridine was identified as the most ... aid9076.table aid9076.tbin
9077 1 Title: Identification of TNF-alpha inhibitors from a split-pool library based on a tyrosine-proline peptidomimetic scaffold. Abstract: The design and synthesis of a combinatorial library based on a 4-aryloxyproline scaffold with tyrosine as the aryl portion is described. The 1728 member library was prepared using the split-pool method to generate pools of compounds. Screening of the library components as mixtures followed by deconvolution led to the discovery of novel inhibitors of TNF-alpha ind... aid9077.table aid9077.tbin
9078 1 Title: Antitumor agents 200. Cytotoxicity of naturally occurring resveratrol oligomers and their acetate derivatives. Abstract: Eleven resveratrol oligomers and six acetylated derivatives were evaluated for in vitro cytotoxicity against a panel of human tumor cell lines. The acetate of (-)-ampelopsin A (12) showed potent and selective cytotoxic activity with ED50 values of 0.6, 0.7 and 2.0 microg/mL against KB, 1A9 and MCF-7 cells, respectively. Hopeaphenol (10) and pallidol hexaacetate (13) als... aid9078.table aid9078.tbin
9079 4 Title: Novel tricyclic poly(ADP-ribose) polymerase-1 inhibitors with potent anticancer chemopotentiating activity: design, synthesis, and X-ray cocrystal structure. Abstract: A series of novel compounds have been designed that are potent inhibitors of poly(ADP-ribose) polymerase-1 (PARP-1), and the activity and physical properties have been characterized. The new structural classes, 3,4,5,6-tetrahydro-1H-azepino[5,4,3-cd]indol-6-ones and 3,4-dihydropyrrolo[4,3,2-de]isoquinolin-5-(1H)-ones, have ... aid9079.table aid9079.tbin
9080 3 Title: Tricyclic benzimidazoles as potent poly(ADP-ribose) polymerase-1 inhibitors. Abstract: Novel tricyclic benzimidazole carboxamide poly(ADP-ribose) polymerase-1 (PARP-1) inhibitors have been synthesized. Several compounds were found to be powerful chemopotentiators of temozolomide and topotecan in both A549 and LoVo cell lines. In vitro inhibition of PARP-1 was confirmed by direct measurement of NAD+ depletion and ADP-ribose polymer formation caused by chemically induced DNA damage. aid9080.table aid9080.tbin
9081 1 Title: Tricyclic benzimidazoles as potent poly(ADP-ribose) polymerase-1 inhibitors. Abstract: Novel tricyclic benzimidazole carboxamide poly(ADP-ribose) polymerase-1 (PARP-1) inhibitors have been synthesized. Several compounds were found to be powerful chemopotentiators of temozolomide and topotecan in both A549 and LoVo cell lines. In vitro inhibition of PARP-1 was confirmed by direct measurement of NAD+ depletion and ADP-ribose polymer formation caused by chemically induced DNA damage. aid9081.table aid9081.tbin
9082 3 Title: Tricyclic benzimidazoles as potent poly(ADP-ribose) polymerase-1 inhibitors. Abstract: Novel tricyclic benzimidazole carboxamide poly(ADP-ribose) polymerase-1 (PARP-1) inhibitors have been synthesized. Several compounds were found to be powerful chemopotentiators of temozolomide and topotecan in both A549 and LoVo cell lines. In vitro inhibition of PARP-1 was confirmed by direct measurement of NAD+ depletion and ADP-ribose polymer formation caused by chemically induced DNA damage. aid9082.table aid9082.tbin
9083 1 Title: Tricyclic benzimidazoles as potent poly(ADP-ribose) polymerase-1 inhibitors. Abstract: Novel tricyclic benzimidazole carboxamide poly(ADP-ribose) polymerase-1 (PARP-1) inhibitors have been synthesized. Several compounds were found to be powerful chemopotentiators of temozolomide and topotecan in both A549 and LoVo cell lines. In vitro inhibition of PARP-1 was confirmed by direct measurement of NAD+ depletion and ADP-ribose polymer formation caused by chemically induced DNA damage. aid9083.table aid9083.tbin
9084 1 Title: Tricyclic benzimidazoles as potent poly(ADP-ribose) polymerase-1 inhibitors. Abstract: Novel tricyclic benzimidazole carboxamide poly(ADP-ribose) polymerase-1 (PARP-1) inhibitors have been synthesized. Several compounds were found to be powerful chemopotentiators of temozolomide and topotecan in both A549 and LoVo cell lines. In vitro inhibition of PARP-1 was confirmed by direct measurement of NAD+ depletion and ADP-ribose polymer formation caused by chemically induced DNA damage. aid9084.table aid9084.tbin
9085 1 Title: Tricyclic benzimidazoles as potent poly(ADP-ribose) polymerase-1 inhibitors. Abstract: Novel tricyclic benzimidazole carboxamide poly(ADP-ribose) polymerase-1 (PARP-1) inhibitors have been synthesized. Several compounds were found to be powerful chemopotentiators of temozolomide and topotecan in both A549 and LoVo cell lines. In vitro inhibition of PARP-1 was confirmed by direct measurement of NAD+ depletion and ADP-ribose polymer formation caused by chemically induced DNA damage. aid9085.table aid9085.tbin
9086 1 Title: Tricyclic benzimidazoles as potent poly(ADP-ribose) polymerase-1 inhibitors. Abstract: Novel tricyclic benzimidazole carboxamide poly(ADP-ribose) polymerase-1 (PARP-1) inhibitors have been synthesized. Several compounds were found to be powerful chemopotentiators of temozolomide and topotecan in both A549 and LoVo cell lines. In vitro inhibition of PARP-1 was confirmed by direct measurement of NAD+ depletion and ADP-ribose polymer formation caused by chemically induced DNA damage. aid9086.table aid9086.tbin
9087 1 Title: Tricyclic benzimidazoles as potent poly(ADP-ribose) polymerase-1 inhibitors. Abstract: Novel tricyclic benzimidazole carboxamide poly(ADP-ribose) polymerase-1 (PARP-1) inhibitors have been synthesized. Several compounds were found to be powerful chemopotentiators of temozolomide and topotecan in both A549 and LoVo cell lines. In vitro inhibition of PARP-1 was confirmed by direct measurement of NAD+ depletion and ADP-ribose polymer formation caused by chemically induced DNA damage. aid9087.table aid9087.tbin
9088 3 Title: Tricyclic benzimidazoles as potent poly(ADP-ribose) polymerase-1 inhibitors. Abstract: Novel tricyclic benzimidazole carboxamide poly(ADP-ribose) polymerase-1 (PARP-1) inhibitors have been synthesized. Several compounds were found to be powerful chemopotentiators of temozolomide and topotecan in both A549 and LoVo cell lines. In vitro inhibition of PARP-1 was confirmed by direct measurement of NAD+ depletion and ADP-ribose polymer formation caused by chemically induced DNA damage. aid9088.table aid9088.tbin
9089 8 Title: Tricyclic benzimidazoles as potent poly(ADP-ribose) polymerase-1 inhibitors. Abstract: Novel tricyclic benzimidazole carboxamide poly(ADP-ribose) polymerase-1 (PARP-1) inhibitors have been synthesized. Several compounds were found to be powerful chemopotentiators of temozolomide and topotecan in both A549 and LoVo cell lines. In vitro inhibition of PARP-1 was confirmed by direct measurement of NAD+ depletion and ADP-ribose polymer formation caused by chemically induced DNA damage. aid9089.table aid9089.tbin
9090 9 Title: Novel tricyclic poly(ADP-ribose) polymerase-1 inhibitors with potent anticancer chemopotentiating activity: design, synthesis, and X-ray cocrystal structure. Abstract: A series of novel compounds have been designed that are potent inhibitors of poly(ADP-ribose) polymerase-1 (PARP-1), and the activity and physical properties have been characterized. The new structural classes, 3,4,5,6-tetrahydro-1H-azepino[5,4,3-cd]indol-6-ones and 3,4-dihydropyrrolo[4,3,2-de]isoquinolin-5-(1H)-ones, have ... aid9090.table aid9090.tbin
9091 1 Title: Tricyclic benzimidazoles as potent poly(ADP-ribose) polymerase-1 inhibitors. Abstract: Novel tricyclic benzimidazole carboxamide poly(ADP-ribose) polymerase-1 (PARP-1) inhibitors have been synthesized. Several compounds were found to be powerful chemopotentiators of temozolomide and topotecan in both A549 and LoVo cell lines. In vitro inhibition of PARP-1 was confirmed by direct measurement of NAD+ depletion and ADP-ribose polymer formation caused by chemically induced DNA damage. aid9091.table aid9091.tbin
9092 1 Title: Tricyclic benzimidazoles as potent poly(ADP-ribose) polymerase-1 inhibitors. Abstract: Novel tricyclic benzimidazole carboxamide poly(ADP-ribose) polymerase-1 (PARP-1) inhibitors have been synthesized. Several compounds were found to be powerful chemopotentiators of temozolomide and topotecan in both A549 and LoVo cell lines. In vitro inhibition of PARP-1 was confirmed by direct measurement of NAD+ depletion and ADP-ribose polymer formation caused by chemically induced DNA damage. aid9092.table aid9092.tbin
9093 1 Title: Tricyclic benzimidazoles as potent poly(ADP-ribose) polymerase-1 inhibitors. Abstract: Novel tricyclic benzimidazole carboxamide poly(ADP-ribose) polymerase-1 (PARP-1) inhibitors have been synthesized. Several compounds were found to be powerful chemopotentiators of temozolomide and topotecan in both A549 and LoVo cell lines. In vitro inhibition of PARP-1 was confirmed by direct measurement of NAD+ depletion and ADP-ribose polymer formation caused by chemically induced DNA damage. aid9093.table aid9093.tbin
9094 1 Title: Tricyclic benzimidazoles as potent poly(ADP-ribose) polymerase-1 inhibitors. Abstract: Novel tricyclic benzimidazole carboxamide poly(ADP-ribose) polymerase-1 (PARP-1) inhibitors have been synthesized. Several compounds were found to be powerful chemopotentiators of temozolomide and topotecan in both A549 and LoVo cell lines. In vitro inhibition of PARP-1 was confirmed by direct measurement of NAD+ depletion and ADP-ribose polymer formation caused by chemically induced DNA damage. aid9094.table aid9094.tbin
9095 2 Title: Synthesis, antiviral activity and pharmacokinetics of P1/P1' substituted 3-aminoindazole cyclic urea HIV protease inhibitors. Abstract: A series of P1/P1' substituted cyclic urea analogues were prepared in an attempt to increase the intra-cellular antiviral potency of the nonsymmetrical 3-aminoindazoles DMP 850 and DMP 851. The effect of alkyl substitution of the P1/P1' residues on cellular antiviral potency, protein binding, resistance profile and pharmacokinetics are described. aid9095.table aid9095.tbin
9096 3 Title: Synthesis, antiviral activity and pharmacokinetics of P1/P1' substituted 3-aminoindazole cyclic urea HIV protease inhibitors. Abstract: A series of P1/P1' substituted cyclic urea analogues were prepared in an attempt to increase the intra-cellular antiviral potency of the nonsymmetrical 3-aminoindazoles DMP 850 and DMP 851. The effect of alkyl substitution of the P1/P1' residues on cellular antiviral potency, protein binding, resistance profile and pharmacokinetics are described. aid9096.table aid9096.tbin
9097 1 Title: Molecular design and structure--activity relationships leading to the potent, selective, and orally active thrombin active site inhibitor BMS-189664. Abstract: A series of structurally novel small molecule inhibitors of human alpha-thrombin was prepared to elucidate their structure-activity relationships (SARs), selectivity and activity in vivo. BMS-189664 (3) is identified as a potent, selective, and orally active reversible inhibitor of human alpha-thrombin which is efficacious in vivo ... aid9097.table aid9097.tbin
9098 1 Title: A simple stereoselective synthesis and biological evaluation of FR181157: orally active prostacyclin mimetic. Abstract: Synthetic method of a novel prostaglandin (PG) mimetic: FR181175 without PG skeleton are described. The key to success is creation of a chiral epoxide using Sharpless AD reaction with high ee yield. FR181157 shows high potency and agonist efficacy at the IP receptor and has good bioavailability. aid9098.table aid9098.tbin
9099 1 Title: Oxyguanidines: application to non-peptidic phenyl-based thrombin inhibitors. Abstract: Although thrombin has been extensively researched with many examples of potent and selective inhibitors, the key characteristics of oral bioavailability and long half-life have been elusive. We report here a novel series non-peptidic phenyl-based, highly potent, highly selective and orally bioavailable thrombin inhibitors using oxyguanidines as guanidine-mimetics. aid9099.table aid9099.tbin
9100 1 Title: Design and synthesis of orally active inhibitors of TNF synthesis as anti-rheumatoid arthritis drugs. Abstract: A novel series of TNF inhibitors was identified based on the screening of existing MMP inhibitor libraries. Further SAR optimization led to the discovery of a novel lead compound. Its synthesis, efficacy in experimental animal models, and pharmacokinetic data are discussed. aid9100.table aid9100.tbin
9101 2 Title: Expedited discovery of second generation NK-1 antagonists: identification of a nonbasic aryloxy substituent. Abstract: Solution-phase, parallel-synthesis techniques were used to optimize a series of nonbasic NK-1 antagonists, resulting in the identification of (R)-26, an orally bioavailable compound with subnanomolar potency. aid9101.table aid9101.tbin
9102 20 Title: A combinatorial library of indinavir analogues and its in vitro and in vivo studies. Abstract: A combinatorial library of 300HIV protease inhibitors has been synthesized. The library was screened against recombinant wild-type and mutant HIV-1 protease enzymes. The pharmacokinetics of the library was evaluated by dosing in dogs. Compounds that are notably more potent than indinavir and have favorable pharmacokinetic properties were identified. aid9102.table aid9102.tbin
9103 3 Title: A combinatorial library of indinavir analogues and its in vitro and in vivo studies. Abstract: A combinatorial library of 300HIV protease inhibitors has been synthesized. The library was screened against recombinant wild-type and mutant HIV-1 protease enzymes. The pharmacokinetics of the library was evaluated by dosing in dogs. Compounds that are notably more potent than indinavir and have favorable pharmacokinetic properties were identified. aid9103.table aid9103.tbin
9104 1 Title: Synthesis and SAR of aminoalkoxy-biaryl-4-carboxamides: novel and selective histamine H3 receptor antagonists. Abstract: Novel 4'-[(NR1R2-1-yl)]-propoxy-biaryl-4-carboxamides were designed and synthesized. All compounds were tested for affinity at histamine H(3)receptors. Most compounds were highly potent and selective for human and rat H(3) receptors and selected examples such as A-349821 showed functional antagonism of H(3) receptors in vitro and in a mouse dipsogenia model. aid9104.table aid9104.tbin
9105 1 Title: Discovery of zoniporide: a potent and selective sodium-hydrogen exchanger type 1 (NHE-1) inhibitor with high aqueous solubility. Abstract: Zoniporide (CP-597,396) is a potent and selective inhibitor of NHE-1, which exhibits high aqueous solubility and acceptable pharmacokinetics for intravenous administration. The discovery, synthesis, activities, and rat and dog pharmacokinetics of this compound are presented. The potency and selectivity of zoniporide may be due to the conformation that ... aid9105.table aid9105.tbin
9106 1 Compound was evaluated for Plasma levels upon oral administration at 30 mg/kg in Dog at maximum of 0.3 hours aid9106.table aid9106.tbin
9107 11 Title: 3-amino-4-sulfonylpyridinone acetamide and related pyridothiadiazine thrombin inhibitors. Abstract: We describe a series of highly potent and efficacious thrombin inhibitors based on a 3-amino-4-sulfonylpyridinone acetamide template. The functionally dense sulfonyl group stabilizes the aminopyridinone, conformationally constrains the 4-substituent, and forms a hydrogen bond to the insertion loop tyrosine OH. We also describe a related series of fused bicyclic dihydrothiadiazinedioxide der... aid9107.table aid9107.tbin
9108 1 Plasma concentration in dogs when measured 1 and 5 hours following initiation of reperfusion at 300 min aid9108.table aid9108.tbin
9109 1 Plasma concentration in dogs when measured 1 and 5 hours following initiation of reperfusion at 30 min aid9109.table aid9109.tbin
9110 1 Plasma concentration in dogs when measured 1 and 5 hours following initiation of reperfusion at 60 min aid9110.table aid9110.tbin
9111 1 Percent of radioactive dose in urine and faeces excreted in 0-24 hr by dogs aid9111.table aid9111.tbin
9112 3 Percent of radioactive dose in urine and feces excreted by 0-24 hr in dogs aid9112.table aid9112.tbin
9113 1 Percent of radioactive dose in urine and feces excreted by 0-24 hr in dogs; NA is <10% inhibition at 1 uM for binding data aid9113.table aid9113.tbin
9114 1 Percent of radioactive dose in urine and feces excreted in 0-24 hr by dogs; NA is <10% inhibition at 1 uM for binding data aid9114.table aid9114.tbin
9115 1 Title: Discovery and characterization of the potent, selective and orally bioavailable MMP inhibitor ABT-770. Abstract: Modification of the biphenyl portion of MMP inhibitor 2a gave analogue 2i which is greater than 1000-fold selective against MMP-2 versus MMP-1. The stereospecific synthesis of both enantiomers of 2i was achieved beginning with (S)- or (R)-benzyl glycidyl ether. The (S)-enantiomer, 11 (ABT-770), is orally bioavailable and efficacious in an in vivo model of tumor growth. aid9115.table aid9115.tbin
9116 1 Title: Synthesis and SAR of aminoalkoxy-biaryl-4-carboxamides: novel and selective histamine H3 receptor antagonists. Abstract: Novel 4'-[(NR1R2-1-yl)]-propoxy-biaryl-4-carboxamides were designed and synthesized. All compounds were tested for affinity at histamine H(3)receptors. Most compounds were highly potent and selective for human and rat H(3) receptors and selected examples such as A-349821 showed functional antagonism of H(3) receptors in vitro and in a mouse dipsogenia model. aid9116.table aid9116.tbin
9117 1 Title: Potent and selective aggrecanase inhibitors containing cyclic P1 substituents. Abstract: Anti-succinate hydroxamates with cyclic P1 motifs were synthesized as aggrecanase inhibitors. The N-methanesulfonyl piperidine 23 and the N-trifluoroacetyl azetidine 26 were the most potent aggrecanase inhibitors both having an IC(50)=3nM while maintaining &gt;100-fold selectivity over MMP-1, -2, and -9. The cyclic moieties were also capable of altering in vivo metabolism, hence delivering low clearan... aid9117.table aid9117.tbin
9118 4 Title: Nonpeptide alphavbeta3 antagonists. 8. In vitro and in vivo evaluation of a potent alphavbeta3 antagonist for the prevention and treatment of osteoporosis. Abstract: 3(S)-(6-methoxypyridin-3-yl)-3-[2-oxo-3-[3-(5,6,7,8-tetrahydro-[1,8]-naphthyridin-2-yl)propyl]imidazolidin-1-yl]propionic acid 6 was identified as a potent and selective antagonist of the alpha(v)beta(3) receptor. This compound has an excellent in vitro profile (IC(50) = 0.08 nM), a significant unbound fraction in human plasm... aid9118.table aid9118.tbin
9119 2 Title: Non-peptide alpha v beta 3 antagonists. Part 7: 3-Substituted tetrahydro-naphthyridine derivatives. Abstract: A series of 3-substituted tetrahydro-[1,8]naphthyridine containing alpha(v)beta(3) antagonists was prepared. A comparison of their in vitro IC(50) values to the electron properties of the 3-substituents revealed a good linear Hammett correlation (rho=-1.96, R(2)=0.959). Electron-withdrawing groups at the 3-position of the tetrahydro-[1,8]naphthyridine decreased potency while elect... aid9119.table aid9119.tbin
9120 1 Title: Potent, selective 3-pyridylethanolamine beta3 adrenergic receptor agonists possessing a thiazole benzenesulfonamide pharmacophore. Abstract: A series of thiazole benzenesulfonamide-substituted 3-pyridylethanolamines was prepared and evaluated for their human beta3 adrenergic receptor agonist activity. Incorporation of aryl and heteroaryl substitution in the 4-position of the thiazole ring resulted in a number of highly potent and selective beta3 agonists. Results of preliminary in vivo ev... aid9120.table aid9120.tbin
9121 1 Title: Potent, selective 3-pyridylethanolamine beta3 adrenergic receptor agonists possessing a thiazole benzenesulfonamide pharmacophore. Abstract: A series of thiazole benzenesulfonamide-substituted 3-pyridylethanolamines was prepared and evaluated for their human beta3 adrenergic receptor agonist activity. Incorporation of aryl and heteroaryl substitution in the 4-position of the thiazole ring resulted in a number of highly potent and selective beta3 agonists. Results of preliminary in vivo ev... aid9121.table aid9121.tbin
9122 2 Title: Synthesis and activity of novel HIV protease inhibitors with improved potency against multiple PI-resistant viral strains. Abstract: Substitution of the t-butylcarboxamide substituent in analogues of the HIV protease inhibitor (PI) Indinavir with a trifluoroethylamide moiety confers greater potency against both the wild-type (NL4-3) virus and PI-resistant HIV. The trifluoroethyl substituent also affords a slower clearance rate in vivo (dogs); however, this may be due to more potent inhibi... aid9122.table aid9122.tbin
9123 2 Title: Cyclic imides as potent and selective alpha-1A adrenergic receptor antagonists. Abstract: We disclose a new compound class of potent and selective alpha-1A adrenergic receptor antagonists exemplified by the geminally, disubstituted cyclic imide 7. The optimization of lead compounds resulting in the cyclic imide motif is highlighted. The results of in vitro and in vivo studies of selected compounds are presented. aid9123.table aid9123.tbin
9124 1 Title: Cyclic imides as potent and selective alpha-1A adrenergic receptor antagonists. Abstract: We disclose a new compound class of potent and selective alpha-1A adrenergic receptor antagonists exemplified by the geminally, disubstituted cyclic imide 7. The optimization of lead compounds resulting in the cyclic imide motif is highlighted. The results of in vitro and in vivo studies of selected compounds are presented. aid9124.table aid9124.tbin
9125 1 Title: Indinavir analogues with blocked metabolism sites as HIV protease inhibitors with improved pharmacological profiles and high potency against PI-resistant viral strains. Abstract: Indinavir analogues with blocked metabolism sites show highly improved pharmacokinetic profiles in animals. The cis-aminochromanol substituted analogues exhibited excellent potency against both the wild-type (NL4-3) virus and protease inhibitor-resistant HIV strains. aid9125.table aid9125.tbin
9126 1 Title: Discovery and biological characterization of capromorelin analogues with extended half-lives. Abstract: New tert-butyl, picolyl and fluorinated analogues of capromorelin (3), a short-acting growth hormone secretagogue (GHS), were prepared as part of a program to identify long-acting GHSs that increase 24-h plasma IGF-1 levels. Compounds 4c and 4d (ACD LogD values &gt;or=2.9) displayed extended plasma elimination half-lives in dogs, primarily due to high volumes of distribution, but showed... aid9126.table aid9126.tbin
9127 1 Title: N-hydroxyformamide peptidomimetics as TACE/matrix metalloprotease inhibitors: oral activity via P1' isobutyl substitution. Abstract: N-Hydroxyformamide-class metalloprotease inhibitors were designed and synthesized, which have potent broad-spectrum activity versus matrix metalloproteases and TNF-alpha converting enzyme (TACE). Compound 13c possesses good oral and intravenous pharmacokinetics in the rat and dog. aid9127.table aid9127.tbin
9128 4 Title: Substituted oxazole benzenesulfonamides as potent human beta3 adrenergic receptor agonists. Abstract: As a part of our investigation into the development of orally bioavailable beta3 adrenergic receptor agonists, we have identified a series of substituted oxazole derivatives that are potent beta3 agonists with excellent selectivity against other beta receptors. Several of these compounds showed excellent oral bioavailability in dogs. One example, cyclopentylethyloxazole 5f is a potent bet... aid9128.table aid9128.tbin
9129 4 Title: Identification of a novel 1'-[5-((3,5-dichlorobenzoyl)methylamino)-3-(3,4-dichlorophenyl)-4-(methoxyimino)pentyl]-2-oxo-(1,4'-bipiperidine) as a dual NK(1)/NK(2) antagonist. Abstract: A novel series of dual NK(1)/NK(2) receptor antagonists, based on the 2-oxo-(1,4'-bipiperidine) template, has been prepared. Compound 10R is a potent dual NK(1)/NK(2) antagonist and demonstrates excellent in vivo activity and good oral plasma levels in the dog. aid9129.table aid9129.tbin
9130 1 Title: Spirocyclic NK(1) antagonists II: [4.5]-spiroethers. Abstract: A series of novel spiroether-based neurokinin-1 (NK(1)) antagonists is described. The effect of modifications to the spiroether ring and aromatic substituents are discussed, leading to the identification of compounds with high affinity and excellent CNS penetration. aid9130.table aid9130.tbin
9131 12 Title: Design, synthesis, and biological activity of 4-[(4-cyano-2-arylbenzyloxy)-(3-methyl-3H-imidazol-4-yl)methyl]benzonitriles as potent and selective farnesyltransferase inhibitors. Abstract: A novel series of 4-[(4-cyano-2-arylbenzyloxy)-(3-methyl-3H-imidazol-4-yl)methyl]benzonitriles have been synthesized as selective farnesyltransferase inhibitors using structure-based design. X-ray cocrystal structures of compound 20-FTase-HFP and A313326-FTase-HFP confirmed our initial design. The decre... aid9131.table aid9131.tbin
9132 3 Title: Discovery of novel 2,8-diazaspiro[4.5]decanes as orally active glycoprotein IIb-IIIa antagonists. Abstract: In our efforts to develop orally active GPIIb-IIIa antagonists with improved pharmaceutical properties, we have utilized a novel 2,8-diazaspiro[4.5]decane scaffold as a template. We describe here our investigation of a variety of templates including spiropiperidinyl-gamma-lactams, spiropiperidinylimide, spiropiperidinylureas, and spiropiperidinylhydantoins. With the appropriate acid... aid9132.table aid9132.tbin
9133 1 Title: (2R)-2-ethylchromane-2-carboxylic acids: discovery of novel PPARalpha/gamma dual agonists as antihyperglycemic and hypolipidemic agents. Abstract: A series of chromane-2-carboxylic acid derivatives was synthesized and evaluated for PPAR agonist activities. A structure-activity relationship was developed toward PPARalpha/gamma dual agonism. As a result, (2R)-7-(3-[2-chloro-4-(4-fluorophenoxy)phenoxy]propoxy)-2-ethylchromane-2-carboxylic acid (48) was identified as a potent, structurally no... aid9133.table aid9133.tbin
9134 2 Title: 1,3,4-Trisubstituted pyrrolidine CCR5 receptor antagonists. Part 2: lead optimization affording selective, orally bioavailable compounds with potent anti-HIV activity. Abstract: Investigations of the structure-activity relationships of 1,3,4-trisubstituted pyrrolidine human CCR5 receptor antagonists afforded orally bioavailable compounds with the ability to inhibit HIV replication in vitro. aid9134.table aid9134.tbin
9135 1 Title: 1,3,4-Trisubstituted pyrrolidine CCR5 receptor antagonists. Part 2: lead optimization affording selective, orally bioavailable compounds with potent anti-HIV activity. Abstract: Investigations of the structure-activity relationships of 1,3,4-trisubstituted pyrrolidine human CCR5 receptor antagonists afforded orally bioavailable compounds with the ability to inhibit HIV replication in vitro. aid9135.table aid9135.tbin
9136 2 Title: Indinavir analogues with blocked metabolism sites as HIV protease inhibitors with improved pharmacological profiles and high potency against PI-resistant viral strains. Abstract: Indinavir analogues with blocked metabolism sites show highly improved pharmacokinetic profiles in animals. The cis-aminochromanol substituted analogues exhibited excellent potency against both the wild-type (NL4-3) virus and protease inhibitor-resistant HIV strains. aid9136.table aid9136.tbin
9137 1 Title: Development of orally active nonpeptidic inhibitors of human neutrophil elastase. Abstract: 5-Amino-2-phenylpyrimidin-6-ones, some of their desamino derivatives, and miscellaneous derivatives were synthesized and biologically evaluated on both in vitro activity and oral activity in an acute hemorrhagic assay. These compounds contained an alpha-keto-1,3,4-oxadiazole moiety to bind covalently to the Ser-195 hydroxy group of human neutrophil elastase (HNE). Among those tested, compounds 11a-... aid9137.table aid9137.tbin
9138 1 Bioavailability was evaluated against Beagle dog at a dose of 15 mg/kg after po administration aid9138.table aid9138.tbin
9139 1 Bioavailability was evaluated in dog aid9139.table aid9139.tbin
9140 1 Title: Indazolylamino quinazolines and pyridopyrimidines as inhibitors of the EGFr and C-erbB-2. Abstract: Described herein is the design and synthesis of indazolylaminopyridopyrimidines and quinazolines as inhibitors of the class 1 tyrosine kinase receptor family. Data is presented for N(4)-(1-benzyl-1H-indazol-5-yl)-N(6),N(6)-dimethylpyrido[3,4-d]pyrimidine-4,6-diamine 3B. This compound inhibited EGFr and c-erbB-2 enzymes selectively over other kinases. It inhibited the proliferation of a rang... aid9140.table aid9140.tbin
9141 5 Title: Oxyguanidines. Part 2: Discovery of a novel orally active thrombin inhibitor through structure-based drug design and parallel synthesis. Abstract: Through structure-based drug design and parallel synthesis, we have discovered a novel series of nonpeptidic phenyl-based thrombin inhibitors using oxyguanidines as guanidine bioisosteres. These compounds have been found to be highly potent, highly selective, and orally bioavailable. aid9141.table aid9141.tbin
9142 1 Title: Substituted N-(3,5-dichlorobenzenesulfonyl)-L-prolyl-phenylalanine analogues as potent VLA-4 antagonists. Abstract: A series of substituted N-(3,5-dichlorobenzenesulfonyl)-L-prolyl- and alpha-methyl-L-prolyl-phenylalanine derivatives was prepared as VLA-4/VCAM antagonists. The compounds showed excellent potency with a wide variety of neutral, polar, electron withdrawing or donating groups on the phenylalanine ring (IC50 approximately 1 nM). Heteroaryl ring substitution for phenylalanine w... aid9142.table aid9142.tbin
9143 1 Title: Substituted N-(3,5-dichlorobenzenesulfonyl)-L-prolyl-phenylalanine analogues as potent VLA-4 antagonists. Abstract: A series of substituted N-(3,5-dichlorobenzenesulfonyl)-L-prolyl- and alpha-methyl-L-prolyl-phenylalanine derivatives was prepared as VLA-4/VCAM antagonists. The compounds showed excellent potency with a wide variety of neutral, polar, electron withdrawing or donating groups on the phenylalanine ring (IC50 approximately 1 nM). Heteroaryl ring substitution for phenylalanine w... aid9143.table aid9143.tbin
9144 1 Title: Molecular design and structure--activity relationships leading to the potent, selective, and orally active thrombin active site inhibitor BMS-189664. Abstract: A series of structurally novel small molecule inhibitors of human alpha-thrombin was prepared to elucidate their structure-activity relationships (SARs), selectivity and activity in vivo. BMS-189664 (3) is identified as a potent, selective, and orally active reversible inhibitor of human alpha-thrombin which is efficacious in vivo ... aid9144.table aid9144.tbin
9145 1 Title: A-420983: a potent, orally active inhibitor of lck with efficacy in a model of transplant rejection. Abstract: We have identified the pyrazolo[3,4-d]pyrimidine A-420983 (compound 7) as a potent inhibitor of lck. A-420983 exhibits oral efficacy in animal models of delayed-type hypersensitivity and organ transplant rejection. aid9145.table aid9145.tbin
9146 1 Title: Heterocyclic aminopyrrolidine derivatives as melatoninergic agents. Abstract: A series of chiral heterocyclic aminopyrrolidine derivatives was synthesized as novel melatoninergic ligands. Binding affinity assays were performed on cloned human MT(1) and MT(2) receptors, stably expressed in NIH3T3 cells. Compound 16 was identified as an orally bioavailable agonist at MT(1) and MT(2) melatonin receptors with low vasoconstrictive activity. aid9146.table aid9146.tbin
9147 2 Title: Novel 3-oxa lipoxin A4 analogues with enhanced chemical and metabolic stability have anti-inflammatory activity in vivo. Abstract: Lipoxin A(4) (LXA(4)) is a structurally and functionally distinct natural product called an eicosanoid, which displays immunomodulatory and anti-inflammatory activity but is rapidly metabolized to inactive catabolites in vivo. A previously described analogue of LXA(4), methyl (5R,6R,7E,9E,11Z,13E,15S)-16-(4-fluorophenoxy)-5,6,15-trihydroxy-7,9,11,13-hexadecate... aid9147.table aid9147.tbin
9148 3 Title: Orally bioavailable nonpeptide vitronectin receptor antagonists containing 2-aminopyridine arginine mimetics. Abstract: A peptide RGD analog containing a novel 2-aminopyridine arginine mimetic was discovered to have good affinity and selectivity for the vitronectin receptor. Incorporation of the 2-aminopyridine arginine mimetic into the 3-oxo-1,4-benzodiazepine-2-acetic acid integrin antagonist series led to novel and potent nonpeptide vitronectin receptor antagonists with promising level... aid9148.table aid9148.tbin
9149 1 Compound was evaluated for oral bioavailability at different dose 27.5 mg/kg DMP323 equiv in dogs aid9149.table aid9149.tbin
9150 1 Compound was evaluated for oral bioavailability at different dose 7.7 mg/kg DMP323 equiv in dogs aid9150.table aid9150.tbin
9151 1 Compound was evaluated for oral bioavailability in dogs; 37-38 % aid9151.table aid9151.tbin
9152 8 Title: Identification of potent and selective oxytocin antagonists. Part 2: further investigation of benzofuran derivatives. Abstract: The paper covers continuing efforts to discover novel, potent and selective oxytocin antagonists. Further benzofuran derivatives with potent oxytocin antagonist activity and good pharmacokinetic parameters are reported. Efforts to improve the in vivo activity of the series are described. aid9152.table aid9152.tbin
9153 6 Title: Non-peptide alpha(v)beta(3) antagonists. Part 4: potent and orally bioavailable chain-shortened RGD mimetics. Abstract: Potent non-peptidic alpha(v)beta(3) antagonists have been prepared where deletion of an amide bond from an earlier series of linear RGD-mimetics provides a novel series of chain-shortened alpha(v)beta(3) antagonists with significantly improved oral pharmacokinetics. These chain-shortened alpha(v)beta(3) antagonists represent structurally novel integrin inhibitors. aid9153.table aid9153.tbin
9154 1 Biodistribution of [123I]- labeled compound in mice heart was determined after 30 sec of administration; expressed in percent of injected dose per gram of organ aid9154.table aid9154.tbin
9155 1 Biodistribution of [123I]- labeled compound in mice heart was determined after 5 min of administration; expressed in percent of injected dose per gram of organ aid9155.table aid9155.tbin
9156 1 Biodistribution of [123I]- labeled compound in mice kidneys was determined after 1 min of administration; expressed in percent of injected dose per gram of organ aid9156.table aid9156.tbin
9157 1 Biodistribution of [123I]- labeled compound in mice kidneys was determined after 10 min of administration; expressed in percent of injected dose per gram of organ aid9157.table aid9157.tbin
9158 1 Biodistribution of [123I]- labeled compound in mice kidneys was determined after 15 sec of administration; expressed in percent of injected dose per gram of organ aid9158.table aid9158.tbin
9159 1 Biodistribution of [123I]- labeled compound in mice kidneys was determined after 2 min of administration; expressed in percent of injected dose per gram of organ aid9159.table aid9159.tbin
9160 1 Biodistribution of [123I]- labeled compound in mice kidneys was determined after 30 sec of administration; expressed in percent of injected dose per gram of organ aid9160.table aid9160.tbin
9161 1 Biodistribution of [123I]- labeled compound in mice kidneys was determined after 5 min of administration; expressed in percent of injected dose per gram of organ aid9161.table aid9161.tbin
9162 1 Biodistribution of [123I]- labeled compound in mice liver was determined after 1 min of administration; expressed in percent of injected dose per gram of organ aid9162.table aid9162.tbin
9163 1 Biodistribution of [123I]- labeled compound in mice liver was determined after 10 min of administration; expressed in percent of injected dose per gram of organ aid9163.table aid9163.tbin
9164 1 Biodistribution of [123I]- labeled compound in mice liver was determined after 15 sec of administration; expressed in percent of injected dose per gram of organ aid9164.table aid9164.tbin
9165 1 Biodistribution of [123I]- labeled compound in mice liver was determined after 2 min of administration; expressed in percent of injected dose per gram of organ aid9165.table aid9165.tbin
9166 1 Biodistribution of [123I]- labeled compound in mice liver was determined after 30 sec of administration; expressed in percent of injected dose per gram of organ aid9166.table aid9166.tbin
9167 1 Biodistribution of [123I]- labeled compound in mice liver was determined after 5 min of administration; expressed in percent of injected dose per gram of organ aid9167.table aid9167.tbin
9168 1 Biodistribution of [123I]- labeled compound in mice lungs was determined after 1 min of administration; expressed in percent of injected dose per gram of organ aid9168.table aid9168.tbin
9169 1 Biodistribution of [123I]- labeled compound in mice lungs was determined after 10 min of administration; expressed in percent of injected dose per gram of organ aid9169.table aid9169.tbin
9170 1 Biodistribution of [123I]- labeled compound in mice lungs was determined after 15 sec of administration; expressed in percent of injected dose per gram of organ aid9170.table aid9170.tbin
9171 1 Biodistribution of [123I]- labeled compound in mice lungs was determined after 2 min of administration; expressed in percent of injected dose per gram of organ aid9171.table aid9171.tbin
9172 1 Biodistribution of [123I]- labeled compound in mice lungs was determined after 30 sec of administration; expressed in percent of injected dose per gram of organ aid9172.table aid9172.tbin
9173 1 Biodistribution of [123I]- labeled compound in mice lungs was determined after 5 min of administration; expressed in percent of injected dose per gram of organ aid9173.table aid9173.tbin
9174 1 Title: Synthesis and biological results of the technetium-99m-labeled 4-nitroimidazole for imaging tumor hypoxia. Abstract: 1-(4-Nitroimidazole-1-yl)-propanhydroxyiminoamide (N4IPA) was synthesized. The biodistribution of 99mTc-N4IPA in mice bearing S180 tumor demonstrated that the complex showed accumulation in tumor and slow clearance from it. The tumor-to-tissue uptake ratios increase with time. These results suggest that 99mTc-N4IPA would be a marker for imaging tumor hypoxia. aid9174.table aid9174.tbin
9175 1 Title: Synthesis and biological results of the technetium-99m-labeled 4-nitroimidazole for imaging tumor hypoxia. Abstract: 1-(4-Nitroimidazole-1-yl)-propanhydroxyiminoamide (N4IPA) was synthesized. The biodistribution of 99mTc-N4IPA in mice bearing S180 tumor demonstrated that the complex showed accumulation in tumor and slow clearance from it. The tumor-to-tissue uptake ratios increase with time. These results suggest that 99mTc-N4IPA would be a marker for imaging tumor hypoxia. aid9175.table aid9175.tbin
9176 1 Title: Synthesis and biological results of the technetium-99m-labeled 4-nitroimidazole for imaging tumor hypoxia. Abstract: 1-(4-Nitroimidazole-1-yl)-propanhydroxyiminoamide (N4IPA) was synthesized. The biodistribution of 99mTc-N4IPA in mice bearing S180 tumor demonstrated that the complex showed accumulation in tumor and slow clearance from it. The tumor-to-tissue uptake ratios increase with time. These results suggest that 99mTc-N4IPA would be a marker for imaging tumor hypoxia. aid9176.table aid9176.tbin
9177 1 Title: Synthesis and biological results of the technetium-99m-labeled 4-nitroimidazole for imaging tumor hypoxia. Abstract: 1-(4-Nitroimidazole-1-yl)-propanhydroxyiminoamide (N4IPA) was synthesized. The biodistribution of 99mTc-N4IPA in mice bearing S180 tumor demonstrated that the complex showed accumulation in tumor and slow clearance from it. The tumor-to-tissue uptake ratios increase with time. These results suggest that 99mTc-N4IPA would be a marker for imaging tumor hypoxia. aid9177.table aid9177.tbin
9178 1 Title: Synthesis and biological results of the technetium-99m-labeled 4-nitroimidazole for imaging tumor hypoxia. Abstract: 1-(4-Nitroimidazole-1-yl)-propanhydroxyiminoamide (N4IPA) was synthesized. The biodistribution of 99mTc-N4IPA in mice bearing S180 tumor demonstrated that the complex showed accumulation in tumor and slow clearance from it. The tumor-to-tissue uptake ratios increase with time. These results suggest that 99mTc-N4IPA would be a marker for imaging tumor hypoxia. aid9178.table aid9178.tbin
9179 1 Title: Synthesis and biological results of the technetium-99m-labeled 4-nitroimidazole for imaging tumor hypoxia. Abstract: 1-(4-Nitroimidazole-1-yl)-propanhydroxyiminoamide (N4IPA) was synthesized. The biodistribution of 99mTc-N4IPA in mice bearing S180 tumor demonstrated that the complex showed accumulation in tumor and slow clearance from it. The tumor-to-tissue uptake ratios increase with time. These results suggest that 99mTc-N4IPA would be a marker for imaging tumor hypoxia. aid9179.table aid9179.tbin
9180 1 Title: Synthesis and biological results of the technetium-99m-labeled 4-nitroimidazole for imaging tumor hypoxia. Abstract: 1-(4-Nitroimidazole-1-yl)-propanhydroxyiminoamide (N4IPA) was synthesized. The biodistribution of 99mTc-N4IPA in mice bearing S180 tumor demonstrated that the complex showed accumulation in tumor and slow clearance from it. The tumor-to-tissue uptake ratios increase with time. These results suggest that 99mTc-N4IPA would be a marker for imaging tumor hypoxia. aid9180.table aid9180.tbin
9181 1 Title: Synthesis and biological results of the technetium-99m-labeled 4-nitroimidazole for imaging tumor hypoxia. Abstract: 1-(4-Nitroimidazole-1-yl)-propanhydroxyiminoamide (N4IPA) was synthesized. The biodistribution of 99mTc-N4IPA in mice bearing S180 tumor demonstrated that the complex showed accumulation in tumor and slow clearance from it. The tumor-to-tissue uptake ratios increase with time. These results suggest that 99mTc-N4IPA would be a marker for imaging tumor hypoxia. aid9181.table aid9181.tbin
9182 1 Title: Synthesis and biological results of the technetium-99m-labeled 4-nitroimidazole for imaging tumor hypoxia. Abstract: 1-(4-Nitroimidazole-1-yl)-propanhydroxyiminoamide (N4IPA) was synthesized. The biodistribution of 99mTc-N4IPA in mice bearing S180 tumor demonstrated that the complex showed accumulation in tumor and slow clearance from it. The tumor-to-tissue uptake ratios increase with time. These results suggest that 99mTc-N4IPA would be a marker for imaging tumor hypoxia. aid9182.table aid9182.tbin
9183 1 Title: Synthesis and biological results of the technetium-99m-labeled 4-nitroimidazole for imaging tumor hypoxia. Abstract: 1-(4-Nitroimidazole-1-yl)-propanhydroxyiminoamide (N4IPA) was synthesized. The biodistribution of 99mTc-N4IPA in mice bearing S180 tumor demonstrated that the complex showed accumulation in tumor and slow clearance from it. The tumor-to-tissue uptake ratios increase with time. These results suggest that 99mTc-N4IPA would be a marker for imaging tumor hypoxia. aid9183.table aid9183.tbin
9184 1 Title: Synthesis and biological results of the technetium-99m-labeled 4-nitroimidazole for imaging tumor hypoxia. Abstract: 1-(4-Nitroimidazole-1-yl)-propanhydroxyiminoamide (N4IPA) was synthesized. The biodistribution of 99mTc-N4IPA in mice bearing S180 tumor demonstrated that the complex showed accumulation in tumor and slow clearance from it. The tumor-to-tissue uptake ratios increase with time. These results suggest that 99mTc-N4IPA would be a marker for imaging tumor hypoxia. aid9184.table aid9184.tbin
9185 1 Title: Synthesis and biological results of the technetium-99m-labeled 4-nitroimidazole for imaging tumor hypoxia. Abstract: 1-(4-Nitroimidazole-1-yl)-propanhydroxyiminoamide (N4IPA) was synthesized. The biodistribution of 99mTc-N4IPA in mice bearing S180 tumor demonstrated that the complex showed accumulation in tumor and slow clearance from it. The tumor-to-tissue uptake ratios increase with time. These results suggest that 99mTc-N4IPA would be a marker for imaging tumor hypoxia. aid9185.table aid9185.tbin
9186 1 Title: Synthesis and biological results of the technetium-99m-labeled 4-nitroimidazole for imaging tumor hypoxia. Abstract: 1-(4-Nitroimidazole-1-yl)-propanhydroxyiminoamide (N4IPA) was synthesized. The biodistribution of 99mTc-N4IPA in mice bearing S180 tumor demonstrated that the complex showed accumulation in tumor and slow clearance from it. The tumor-to-tissue uptake ratios increase with time. These results suggest that 99mTc-N4IPA would be a marker for imaging tumor hypoxia. aid9186.table aid9186.tbin
9187 1 Title: Synthesis and biological results of the technetium-99m-labeled 4-nitroimidazole for imaging tumor hypoxia. Abstract: 1-(4-Nitroimidazole-1-yl)-propanhydroxyiminoamide (N4IPA) was synthesized. The biodistribution of 99mTc-N4IPA in mice bearing S180 tumor demonstrated that the complex showed accumulation in tumor and slow clearance from it. The tumor-to-tissue uptake ratios increase with time. These results suggest that 99mTc-N4IPA would be a marker for imaging tumor hypoxia. aid9187.table aid9187.tbin
9188 1 Title: Synthesis and biological results of the technetium-99m-labeled 4-nitroimidazole for imaging tumor hypoxia. Abstract: 1-(4-Nitroimidazole-1-yl)-propanhydroxyiminoamide (N4IPA) was synthesized. The biodistribution of 99mTc-N4IPA in mice bearing S180 tumor demonstrated that the complex showed accumulation in tumor and slow clearance from it. The tumor-to-tissue uptake ratios increase with time. These results suggest that 99mTc-N4IPA would be a marker for imaging tumor hypoxia. aid9188.table aid9188.tbin
9189 1 Title: Synthesis and biological results of the technetium-99m-labeled 4-nitroimidazole for imaging tumor hypoxia. Abstract: 1-(4-Nitroimidazole-1-yl)-propanhydroxyiminoamide (N4IPA) was synthesized. The biodistribution of 99mTc-N4IPA in mice bearing S180 tumor demonstrated that the complex showed accumulation in tumor and slow clearance from it. The tumor-to-tissue uptake ratios increase with time. These results suggest that 99mTc-N4IPA would be a marker for imaging tumor hypoxia. aid9189.table aid9189.tbin
9190 1 Title: Synthesis and biological results of the technetium-99m-labeled 4-nitroimidazole for imaging tumor hypoxia. Abstract: 1-(4-Nitroimidazole-1-yl)-propanhydroxyiminoamide (N4IPA) was synthesized. The biodistribution of 99mTc-N4IPA in mice bearing S180 tumor demonstrated that the complex showed accumulation in tumor and slow clearance from it. The tumor-to-tissue uptake ratios increase with time. These results suggest that 99mTc-N4IPA would be a marker for imaging tumor hypoxia. aid9190.table aid9190.tbin
9191 1 Title: Synthesis and biological results of the technetium-99m-labeled 4-nitroimidazole for imaging tumor hypoxia. Abstract: 1-(4-Nitroimidazole-1-yl)-propanhydroxyiminoamide (N4IPA) was synthesized. The biodistribution of 99mTc-N4IPA in mice bearing S180 tumor demonstrated that the complex showed accumulation in tumor and slow clearance from it. The tumor-to-tissue uptake ratios increase with time. These results suggest that 99mTc-N4IPA would be a marker for imaging tumor hypoxia. aid9191.table aid9191.tbin
9192 1 Title: Monofunctional platinum complexes showing potent cytotoxicity against human liver carcinoma cell line BEL-7402. Abstract: Three novel Pt(II) complexes [PtL(1)'Cl] I (L(1)' = glycine-N'-8-quinolylamide), [PtL(2)'Cl] II (L(2)' = l-alanine-N'-8-quinolylamide), and [PtL(3)Cl] III [L(3) = N-(tert-butoxycarbonyl)-l-methionine-N'-8-quinolylamide] have been synthesized and characterized. The crystal structure of complexes II and III showed that the ligands are three-coordinated with only one Cl(-... aid9192.table aid9192.tbin
9193 1 Title: Monofunctional platinum complexes showing potent cytotoxicity against human liver carcinoma cell line BEL-7402. Abstract: Three novel Pt(II) complexes [PtL(1)'Cl] I (L(1)' = glycine-N'-8-quinolylamide), [PtL(2)'Cl] II (L(2)' = l-alanine-N'-8-quinolylamide), and [PtL(3)Cl] III [L(3) = N-(tert-butoxycarbonyl)-l-methionine-N'-8-quinolylamide] have been synthesized and characterized. The crystal structure of complexes II and III showed that the ligands are three-coordinated with only one Cl(-... aid9193.table aid9193.tbin
9194 2 Title: Monofunctional platinum complexes showing potent cytotoxicity against human liver carcinoma cell line BEL-7402. Abstract: Three novel Pt(II) complexes [PtL(1)'Cl] I (L(1)' = glycine-N'-8-quinolylamide), [PtL(2)'Cl] II (L(2)' = l-alanine-N'-8-quinolylamide), and [PtL(3)Cl] III [L(3) = N-(tert-butoxycarbonyl)-l-methionine-N'-8-quinolylamide] have been synthesized and characterized. The crystal structure of complexes II and III showed that the ligands are three-coordinated with only one Cl(-... aid9194.table aid9194.tbin
9195 1 Title: Monofunctional platinum complexes showing potent cytotoxicity against human liver carcinoma cell line BEL-7402. Abstract: Three novel Pt(II) complexes [PtL(1)'Cl] I (L(1)' = glycine-N'-8-quinolylamide), [PtL(2)'Cl] II (L(2)' = l-alanine-N'-8-quinolylamide), and [PtL(3)Cl] III [L(3) = N-(tert-butoxycarbonyl)-l-methionine-N'-8-quinolylamide] have been synthesized and characterized. The crystal structure of complexes II and III showed that the ligands are three-coordinated with only one Cl(-... aid9195.table aid9195.tbin
9196 18 Title: Synthesis and pharmacological activity of diarylindole derivatives. Cytotoxic agents based on combretastatins. Abstract: Taking into account the structure of Combretastatins, we have synthesized and assayed for cytotoxic activity of new indole derivatives. Two aryl groups are maintained in the cis orientation required for activity by means of an indole moiety built up on less active ketoderivatives used as starting materials. aid9196.table aid9196.tbin
9197 59 Title: Synthesis and antitumor activity of s-tetrazine derivatives. Abstract: Fifty-five compounds of s-tetrazine derivative including hexahydro-, 1,6-dihydro, 1,4-dihydro-, 1,2-dihydro- and aromatic s-tetrazine were prepared. Their antitumor activities were evaluated in vitro by MTT method for P-388 cell and SRB method for A-549 cell. The results show that there are 9 compounds which in 10(-6) microM have more than 50% inhibition rate to A-549 cancer cell growth, and 7 compounds in 10(-6) micro... aid9197.table aid9197.tbin
9198 59 Title: Synthesis and antitumor activity of s-tetrazine derivatives. Abstract: Fifty-five compounds of s-tetrazine derivative including hexahydro-, 1,6-dihydro, 1,4-dihydro-, 1,2-dihydro- and aromatic s-tetrazine were prepared. Their antitumor activities were evaluated in vitro by MTT method for P-388 cell and SRB method for A-549 cell. The results show that there are 9 compounds which in 10(-6) microM have more than 50% inhibition rate to A-549 cancer cell growth, and 7 compounds in 10(-6) micro... aid9198.table aid9198.tbin
9199 59 Title: Synthesis and antitumor activity of s-tetrazine derivatives. Abstract: Fifty-five compounds of s-tetrazine derivative including hexahydro-, 1,6-dihydro, 1,4-dihydro-, 1,2-dihydro- and aromatic s-tetrazine were prepared. Their antitumor activities were evaluated in vitro by MTT method for P-388 cell and SRB method for A-549 cell. The results show that there are 9 compounds which in 10(-6) microM have more than 50% inhibition rate to A-549 cancer cell growth, and 7 compounds in 10(-6) micro... aid9199.table aid9199.tbin
9200 59 Title: Synthesis and antitumor activity of s-tetrazine derivatives. Abstract: Fifty-five compounds of s-tetrazine derivative including hexahydro-, 1,6-dihydro, 1,4-dihydro-, 1,2-dihydro- and aromatic s-tetrazine were prepared. Their antitumor activities were evaluated in vitro by MTT method for P-388 cell and SRB method for A-549 cell. The results show that there are 9 compounds which in 10(-6) microM have more than 50% inhibition rate to A-549 cancer cell growth, and 7 compounds in 10(-6) micro... aid9200.table aid9200.tbin
9201 59 Title: Synthesis and antitumor activity of s-tetrazine derivatives. Abstract: Fifty-five compounds of s-tetrazine derivative including hexahydro-, 1,6-dihydro, 1,4-dihydro-, 1,2-dihydro- and aromatic s-tetrazine were prepared. Their antitumor activities were evaluated in vitro by MTT method for P-388 cell and SRB method for A-549 cell. The results show that there are 9 compounds which in 10(-6) microM have more than 50% inhibition rate to A-549 cancer cell growth, and 7 compounds in 10(-6) micro... aid9201.table aid9201.tbin
9202 1 Title: Synthesis and antitumor activity of s-tetrazine derivatives. Abstract: Fifty-five compounds of s-tetrazine derivative including hexahydro-, 1,6-dihydro, 1,4-dihydro-, 1,2-dihydro- and aromatic s-tetrazine were prepared. Their antitumor activities were evaluated in vitro by MTT method for P-388 cell and SRB method for A-549 cell. The results show that there are 9 compounds which in 10(-6) microM have more than 50% inhibition rate to A-549 cancer cell growth, and 7 compounds in 10(-6) micro... aid9202.table aid9202.tbin
9203 1 Title: Synthesis and antitumor activity of s-tetrazine derivatives. Abstract: Fifty-five compounds of s-tetrazine derivative including hexahydro-, 1,6-dihydro, 1,4-dihydro-, 1,2-dihydro- and aromatic s-tetrazine were prepared. Their antitumor activities were evaluated in vitro by MTT method for P-388 cell and SRB method for A-549 cell. The results show that there are 9 compounds which in 10(-6) microM have more than 50% inhibition rate to A-549 cancer cell growth, and 7 compounds in 10(-6) micro... aid9203.table aid9203.tbin
9204 1 Title: Synthesis and antitumor activity of s-tetrazine derivatives. Abstract: Fifty-five compounds of s-tetrazine derivative including hexahydro-, 1,6-dihydro, 1,4-dihydro-, 1,2-dihydro- and aromatic s-tetrazine were prepared. Their antitumor activities were evaluated in vitro by MTT method for P-388 cell and SRB method for A-549 cell. The results show that there are 9 compounds which in 10(-6) microM have more than 50% inhibition rate to A-549 cancer cell growth, and 7 compounds in 10(-6) micro... aid9204.table aid9204.tbin
9205 1 Title: Synthesis and antitumor activity of s-tetrazine derivatives. Abstract: Fifty-five compounds of s-tetrazine derivative including hexahydro-, 1,6-dihydro, 1,4-dihydro-, 1,2-dihydro- and aromatic s-tetrazine were prepared. Their antitumor activities were evaluated in vitro by MTT method for P-388 cell and SRB method for A-549 cell. The results show that there are 9 compounds which in 10(-6) microM have more than 50% inhibition rate to A-549 cancer cell growth, and 7 compounds in 10(-6) micro... aid9205.table aid9205.tbin
9206 1 Title: Synthesis and antitumor activity of s-tetrazine derivatives. Abstract: Fifty-five compounds of s-tetrazine derivative including hexahydro-, 1,6-dihydro, 1,4-dihydro-, 1,2-dihydro- and aromatic s-tetrazine were prepared. Their antitumor activities were evaluated in vitro by MTT method for P-388 cell and SRB method for A-549 cell. The results show that there are 9 compounds which in 10(-6) microM have more than 50% inhibition rate to A-549 cancer cell growth, and 7 compounds in 10(-6) micro... aid9206.table aid9206.tbin
9207 9 Title: Design, synthesis and cytotoxic activities of naphthyl analogues of combretastatin A-4. Abstract: The 3,4,5-trimethoxyphenyl and 3-hydroxy-4-methoxyphenyl rings of combretastatin A-4 are deemed optimal for its activity as antimitotic agent. The replacement of either one by a naphthalene ring results in compounds with a potency comparable to that of the parent compound. These results show that the naphthalene ring is a good surrogate for the 3,4,5-trimethoxyphenyl or the 3-hydroxy-4-methox... aid9207.table aid9207.tbin
9208 72 Title: Synthesis and evaluation of stilbene and dihydrostilbene derivatives as potential anticancer agents that inhibit tubulin polymerization. Abstract: An array of cis-, trans-, and dihydrostilbenes and some N-arylbenzylamines were synthesized and evaluated for their cytotoxicity in the five cancer cell cultures A-549 lung carcinoma, MCF-7 breast carcinoma, HT-29 colon adenocarcinoma, SKMEL-5 melanoma, and MLM melanoma. Several cis-stilbenes, structurally similar to combretastatins, were highl... aid9208.table aid9208.tbin
9209 2 Title: Multidrug resistant cancer cells susceptibility to cytotoxic taxane diterpenes from Taxus yunnanensis and Taxus chinensis. Abstract: Twelve taxane diterpenes (1-12), which were isolated previously from the EtOH extract of the aerial parts of Taxus yunnanensis or Taxus chinensis, were evaluated for cytotoxicity against the multidrug resistant cancer cells KB-VIN and KB-7d. Compounds and showed significant cytotoxicity in these cell lines. Compounds and also demonstrated significant activit... aid9209.table aid9209.tbin
9210 8 Title: On topography and functionality in the B-D rings of cephalostatin cytotoxins. Abstract: Analogues 12'beta-hydroxycephalostatin 1 (9), 7'-deoxyritterazine G (10), and 14-epi-7'-deoxyritterazine B (11) were prepared via our protocol for unsymmetrical pyrazine synthesis. Cytotoxicity against human tumors was also determined for the first time for ritterazines, with femtomolar potency and a high correlation to cephalostatins observed. The SAR of these and related compounds provide insight int... aid9210.table aid9210.tbin
9211 7 Title: On topography and functionality in the B-D rings of cephalostatin cytotoxins. Abstract: Analogues 12'beta-hydroxycephalostatin 1 (9), 7'-deoxyritterazine G (10), and 14-epi-7'-deoxyritterazine B (11) were prepared via our protocol for unsymmetrical pyrazine synthesis. Cytotoxicity against human tumors was also determined for the first time for ritterazines, with femtomolar potency and a high correlation to cephalostatins observed. The SAR of these and related compounds provide insight int... aid9211.table aid9211.tbin
9212 1 Title: On topography and functionality in the B-D rings of cephalostatin cytotoxins. Abstract: Analogues 12'beta-hydroxycephalostatin 1 (9), 7'-deoxyritterazine G (10), and 14-epi-7'-deoxyritterazine B (11) were prepared via our protocol for unsymmetrical pyrazine synthesis. Cytotoxicity against human tumors was also determined for the first time for ritterazines, with femtomolar potency and a high correlation to cephalostatins observed. The SAR of these and related compounds provide insight int... aid9212.table aid9212.tbin
9213 1 Title: Multidrug resistant cancer cells susceptibility to cytotoxic taxane diterpenes from Taxus yunnanensis and Taxus chinensis. Abstract: Twelve taxane diterpenes (1-12), which were isolated previously from the EtOH extract of the aerial parts of Taxus yunnanensis or Taxus chinensis, were evaluated for cytotoxicity against the multidrug resistant cancer cells KB-VIN and KB-7d. Compounds and showed significant cytotoxicity in these cell lines. Compounds and also demonstrated significant activit... aid9213.table aid9213.tbin
9214 5 Title: Macrocarpins A-D, new cytotoxic nor-triterpenes from Maytenus macrocarpa. Abstract: Macrocarpins A (1), B (2), C (3) and D (4), four new nor-triterpenes, have been isolated from the roots of Maytenus macrocarpa. The structures were established by spectroscopic examinations. Natural compounds 1, 2, 4 and the acetyl derivative 1a are cytotoxic against four tumoral cell lines with IC50 values ranging between 0.4 and 5.2 microM. aid9214.table aid9214.tbin
9215 27 In vitro inhibitory concentration against cell culture of A-549 human lung carcinoma aid9215.table aid9215.tbin
9216 12 Title: Synthesis and antitumor evaluation of novel monoindolyl-4-trifluoromethylpyridines and bisindolyl-4-trifluoromethylpyridines. Abstract: A series of novel monoindolyl-4-trifluoromethylpyridines and bisindolyl-4-trifluoromethylpyridines was designed and synthesized as potential antitumor agents. They were evaluated for preliminary cytotoxic activity against P388 and A-549 cells with IC50 values. 4-Trifluoromethyl-2,6-bis[3'-(N-tosyl-6'-methoxyl-indolyl)] pyridine was identified as the most ... aid9216.table aid9216.tbin
9217 1 Dose required for in vitro cytotoxic activity against A-549 lung carcinoma cells at concentration of 10 ug/ml; NA is no cytotoxicity aid9217.table aid9217.tbin
9218 3 Title: Antitumor agents. 134. New shiraiachrome-A- and calphostin-C-related perylene derivatives as cytotoxic and antiviral agents and inhibitors of protein kinase C. Abstract: Shiraiachrome-A and -B have been isolated from the mycelium of the Chinese bamboo fungus Shiraia bambusicola as the cytotoxic principles. A series of new perylene derivatives (7-27) related to Shiraiachrome-A and -B as well as Calphostin-C have been synthesized and evaluated for their cytotoxicity, antiviral activity, and... aid9218.table aid9218.tbin
9219 1 Title: Antitumor agents. 134. New shiraiachrome-A- and calphostin-C-related perylene derivatives as cytotoxic and antiviral agents and inhibitors of protein kinase C. Abstract: Shiraiachrome-A and -B have been isolated from the mycelium of the Chinese bamboo fungus Shiraia bambusicola as the cytotoxic principles. A series of new perylene derivatives (7-27) related to Shiraiachrome-A and -B as well as Calphostin-C have been synthesized and evaluated for their cytotoxicity, antiviral activity, and... aid9219.table aid9219.tbin
9220 1 Title: Synthesis and preliminary biological evaluations of CC-1065 analogues: effects of different linkers and terminal amides on biological activity. Abstract: CC-1065 analogues possessing a biologically active CBI functional group and amide-substituted indole and benzofuran were synthesized. The IC(50) values of compounds 26, bearing two indoles, and 25, bearing only one indole, are 0.4 and 3 nM, respectively, against U937 leukemia cells in vitro. The IC(50) values of compounds 28, bearing a b... aid9220.table aid9220.tbin
9221 16 Title: Antimicrobial peptides: synthesis and antibacterial activity of linear and cyclic drosocin and apidaecin 1b analogues. Abstract: Drosocin and apidaecin Ib are two insect antimicrobial peptides showing a significant sequence homology and a common mechanism of action, which includes stereoselective elements but is devoid of any pore-forming activity. A substantial difference between the two peptides is the presence in the drosocin sequence of an O-glycosylated threonine residue, which is im... aid9221.table aid9221.tbin
9222 4 Title: Synthesis and antibacterial activity of thiazolo-, oxazolo-, and imidazolo[3,2-a][1,8]naphthyridinecarboxylic acids. Abstract: It is known that thiazolo[3,2-a][1,8]naphthyridine derivatives (3a) exhibit good antibacterial activity. Accordingly, several analogues of 3a, viz. oxazolo- and imidazolo[3,2-a][1,8]naphthyridine derivatives 3b and 3c, were synthesized and evaluated for antibacterial activity in vitro and for inhibitory activity against DNA gyrase of Escherichia coli K-12 C600. Co... aid9222.table aid9222.tbin
9223 11 Title: Synthesis, antifungal activity, and molecular modeling studies of new inverted oxime ethers of oxiconazole. Abstract: Some new oxime ethers of types 7 and 8, in which the methyleneaminoxy group, C=N-O, of oxiconazole 6 is in an inverted atomic sequence, were synthesized and tested for their antifungal activities. Among them, the type 7 compounds, such as the N-ethoxy-morpholino-substituted derivatives 7l-o (Table 1), showed good antifungal properties against the Candida strains tested, wi... aid9223.table aid9223.tbin
9224 11 Title: Synthesis, antifungal activity, and molecular modeling studies of new inverted oxime ethers of oxiconazole. Abstract: Some new oxime ethers of types 7 and 8, in which the methyleneaminoxy group, C=N-O, of oxiconazole 6 is in an inverted atomic sequence, were synthesized and tested for their antifungal activities. Among them, the type 7 compounds, such as the N-ethoxy-morpholino-substituted derivatives 7l-o (Table 1), showed good antifungal properties against the Candida strains tested, wi... aid9224.table aid9224.tbin
9225 2 Title: Design, synthesis and biological evaluation of hetaryl-nucleoside derivatives as inhibitors of chitin synthase. Abstract: We report here the design, synthesis and biological evaluation of new models of sugar analogues for chitin synthase. These UDP-GlcNAc mimetics associate a sugar-mimicking hetaryl group and uridine, linked with different pyrophosphate bioisosteres. The compounds displayed weak inhibition activity on chitin synthase and their antifungal potencies have been assayed agains... aid9225.table aid9225.tbin
9226 11 Title: Diguanidino and &quot;reversed&quot; diamidino 2,5-diarylfurans as antimicrobial agents. Abstract: Dicationic 2,5-bis(4-guanidinophenyl)furans 5a-5f, 2,5-bis[4-(arylimino)aminophenyl]furans 6a-6b and 6e-6k, and 2,5-bis[4-(alkylimino)aminophenyl]furans 6c-6d have been synthesized starting from 2,5-bis[tri-n-butylstannyl]furan. Thermal melting studies with poly dA*dT and the duplex oligomer d(CGCGAATTCGCG)2 demonstrated high DNA binding affinities for a number of the compounds. The binding ... aid9226.table aid9226.tbin
9227 1 Title: Diguanidino and &quot;reversed&quot; diamidino 2,5-diarylfurans as antimicrobial agents. Abstract: Dicationic 2,5-bis(4-guanidinophenyl)furans 5a-5f, 2,5-bis[4-(arylimino)aminophenyl]furans 6a-6b and 6e-6k, and 2,5-bis[4-(alkylimino)aminophenyl]furans 6c-6d have been synthesized starting from 2,5-bis[tri-n-butylstannyl]furan. Thermal melting studies with poly dA*dT and the duplex oligomer d(CGCGAATTCGCG)2 demonstrated high DNA binding affinities for a number of the compounds. The binding ... aid9227.table aid9227.tbin
9228 13 Title: Diguanidino and &quot;reversed&quot; diamidino 2,5-diarylfurans as antimicrobial agents. Abstract: Dicationic 2,5-bis(4-guanidinophenyl)furans 5a-5f, 2,5-bis[4-(arylimino)aminophenyl]furans 6a-6b and 6e-6k, and 2,5-bis[4-(alkylimino)aminophenyl]furans 6c-6d have been synthesized starting from 2,5-bis[tri-n-butylstannyl]furan. Thermal melting studies with poly dA*dT and the duplex oligomer d(CGCGAATTCGCG)2 demonstrated high DNA binding affinities for a number of the compounds. The binding ... aid9228.table aid9228.tbin
9229 2 Title: Diguanidino and &quot;reversed&quot; diamidino 2,5-diarylfurans as antimicrobial agents. Abstract: Dicationic 2,5-bis(4-guanidinophenyl)furans 5a-5f, 2,5-bis[4-(arylimino)aminophenyl]furans 6a-6b and 6e-6k, and 2,5-bis[4-(alkylimino)aminophenyl]furans 6c-6d have been synthesized starting from 2,5-bis[tri-n-butylstannyl]furan. Thermal melting studies with poly dA*dT and the duplex oligomer d(CGCGAATTCGCG)2 demonstrated high DNA binding affinities for a number of the compounds. The binding ... aid9229.table aid9229.tbin
9230 11 Title: Synthesis, antifungal activity, and molecular modeling studies of new inverted oxime ethers of oxiconazole. Abstract: Some new oxime ethers of types 7 and 8, in which the methyleneaminoxy group, C=N-O, of oxiconazole 6 is in an inverted atomic sequence, were synthesized and tested for their antifungal activities. Among them, the type 7 compounds, such as the N-ethoxy-morpholino-substituted derivatives 7l-o (Table 1), showed good antifungal properties against the Candida strains tested, wi... aid9230.table aid9230.tbin
9231 19 Title: Synthesis, antifungal activity, and molecular modeling studies of new inverted oxime ethers of oxiconazole. Abstract: Some new oxime ethers of types 7 and 8, in which the methyleneaminoxy group, C=N-O, of oxiconazole 6 is in an inverted atomic sequence, were synthesized and tested for their antifungal activities. Among them, the type 7 compounds, such as the N-ethoxy-morpholino-substituted derivatives 7l-o (Table 1), showed good antifungal properties against the Candida strains tested, wi... aid9231.table aid9231.tbin
9232 1 Title: Bispyridinamines: a new class of topical antimicrobial agents as inhibitors of dental plaque. Abstract: A series of N,N'-polyalkylenebis[4-(substituted-amino)pyridines] has been prepared, and members have been evaluated as potential anti-dental plaque agents. From among the most active members of the series, one compound, N,N'-[1,10-decanediyldi-1(4H)-pyridinyl-4-ylidene]bis(1-octanam ine) dihydrochloride, octenidine, was selected as a candidate for clinical study. aid9232.table aid9232.tbin
9233 1 Title: Bispyridinamines: a new class of topical antimicrobial agents as inhibitors of dental plaque. Abstract: A series of N,N'-polyalkylenebis[4-(substituted-amino)pyridines] has been prepared, and members have been evaluated as potential anti-dental plaque agents. From among the most active members of the series, one compound, N,N'-[1,10-decanediyldi-1(4H)-pyridinyl-4-ylidene]bis(1-octanam ine) dihydrochloride, octenidine, was selected as a candidate for clinical study. aid9233.table aid9233.tbin
9234 14 Title: Quinolones: novel probes in antifilarial chemotheraphy. Abstract: Quinolones have been discovered in our laboratory as a new class of antifilarial agents. This has led to the design, synthesis, and antifilarial evaluation of a number of N-substituted quinol-4(1H)-one-3-carboxamide derivatives 4-6. The macrofilaricidal activity of the target compounds was initially evaluated in vivo against Acanthoeilonema viteae by oral administration of 200 mg/kg x 5 days. Among all the synthesized compo... aid9234.table aid9234.tbin
9235 14 Title: Quinolones: novel probes in antifilarial chemotheraphy. Abstract: Quinolones have been discovered in our laboratory as a new class of antifilarial agents. This has led to the design, synthesis, and antifilarial evaluation of a number of N-substituted quinol-4(1H)-one-3-carboxamide derivatives 4-6. The macrofilaricidal activity of the target compounds was initially evaluated in vivo against Acanthoeilonema viteae by oral administration of 200 mg/kg x 5 days. Among all the synthesized compo... aid9235.table aid9235.tbin
9236 2 Title: Osteoadsorptive bisphosphonate derivatives of fluoroquinolone antibacterials. Abstract: Bisphosphonates conjugated to fluoroquinolone antibacterials through an intermediate carbon had better activity than conjugates lacking the carbon. Virtually all molar-based activity of these esterified bisphosphonate derivatives was identical to that of its parent. De-esterified free-acid forms retained good activity against most Gram-negative bacteria, but not against Gram-positives. A free-acid deri... aid9236.table aid9236.tbin
9237 1 Title: Osteoadsorptive bisphosphonate derivatives of fluoroquinolone antibacterials. Abstract: Bisphosphonates conjugated to fluoroquinolone antibacterials through an intermediate carbon had better activity than conjugates lacking the carbon. Virtually all molar-based activity of these esterified bisphosphonate derivatives was identical to that of its parent. De-esterified free-acid forms retained good activity against most Gram-negative bacteria, but not against Gram-positives. A free-acid deri... aid9237.table aid9237.tbin
9238 2 Title: Osteoadsorptive bisphosphonate derivatives of fluoroquinolone antibacterials. Abstract: Bisphosphonates conjugated to fluoroquinolone antibacterials through an intermediate carbon had better activity than conjugates lacking the carbon. Virtually all molar-based activity of these esterified bisphosphonate derivatives was identical to that of its parent. De-esterified free-acid forms retained good activity against most Gram-negative bacteria, but not against Gram-positives. A free-acid deri... aid9238.table aid9238.tbin
9239 1 Title: Tricyclic benzimidazoles as potent poly(ADP-ribose) polymerase-1 inhibitors. Abstract: Novel tricyclic benzimidazole carboxamide poly(ADP-ribose) polymerase-1 (PARP-1) inhibitors have been synthesized. Several compounds were found to be powerful chemopotentiators of temozolomide and topotecan in both A549 and LoVo cell lines. In vitro inhibition of PARP-1 was confirmed by direct measurement of NAD+ depletion and ADP-ribose polymer formation caused by chemically induced DNA damage. aid9239.table aid9239.tbin
9240 1 Title: Tricyclic benzimidazoles as potent poly(ADP-ribose) polymerase-1 inhibitors. Abstract: Novel tricyclic benzimidazole carboxamide poly(ADP-ribose) polymerase-1 (PARP-1) inhibitors have been synthesized. Several compounds were found to be powerful chemopotentiators of temozolomide and topotecan in both A549 and LoVo cell lines. In vitro inhibition of PARP-1 was confirmed by direct measurement of NAD+ depletion and ADP-ribose polymer formation caused by chemically induced DNA damage. aid9240.table aid9240.tbin
9241 2 Title: Antitumor agents. 207. Design, synthesis, and biological testing of 4beta-anilino-2-fluoro-4'-demethylpodophyllotoxin analogues as cytotoxic and antiviral agents. Abstract: 2-Fluoropodophyllotoxin (11) and several 4beta-anilino-2-fluoro-4'-O-demethyl analogues were synthesized and evaluated in both antineoplastic and antiviral assays. These compounds were moderately active against some cancer cell lines, but they were less active than the corresponding nonfluorinated analogues. Compound 1... aid9241.table aid9241.tbin
9242 2 Title: Antitumor agents. 207. Design, synthesis, and biological testing of 4beta-anilino-2-fluoro-4'-demethylpodophyllotoxin analogues as cytotoxic and antiviral agents. Abstract: 2-Fluoropodophyllotoxin (11) and several 4beta-anilino-2-fluoro-4'-O-demethyl analogues were synthesized and evaluated in both antineoplastic and antiviral assays. These compounds were moderately active against some cancer cell lines, but they were less active than the corresponding nonfluorinated analogues. Compound 1... aid9242.table aid9242.tbin
9243 2 Title: Antitumor agents. 207. Design, synthesis, and biological testing of 4beta-anilino-2-fluoro-4'-demethylpodophyllotoxin analogues as cytotoxic and antiviral agents. Abstract: 2-Fluoropodophyllotoxin (11) and several 4beta-anilino-2-fluoro-4'-O-demethyl analogues were synthesized and evaluated in both antineoplastic and antiviral assays. These compounds were moderately active against some cancer cell lines, but they were less active than the corresponding nonfluorinated analogues. Compound 1... aid9243.table aid9243.tbin
9244 11 Title: Antitumor agents. 207. Design, synthesis, and biological testing of 4beta-anilino-2-fluoro-4'-demethylpodophyllotoxin analogues as cytotoxic and antiviral agents. Abstract: 2-Fluoropodophyllotoxin (11) and several 4beta-anilino-2-fluoro-4'-O-demethyl analogues were synthesized and evaluated in both antineoplastic and antiviral assays. These compounds were moderately active against some cancer cell lines, but they were less active than the corresponding nonfluorinated analogues. Compound 1... aid9244.table aid9244.tbin
9245 1 Title: Tricyclic benzimidazoles as potent poly(ADP-ribose) polymerase-1 inhibitors. Abstract: Novel tricyclic benzimidazole carboxamide poly(ADP-ribose) polymerase-1 (PARP-1) inhibitors have been synthesized. Several compounds were found to be powerful chemopotentiators of temozolomide and topotecan in both A549 and LoVo cell lines. In vitro inhibition of PARP-1 was confirmed by direct measurement of NAD+ depletion and ADP-ribose polymer formation caused by chemically induced DNA damage. aid9245.table aid9245.tbin
9246 1 Title: Syntheses and biological activities of a novel group of steroidal derived inhibitors for human Cdc25A protein phosphatase. Abstract: Silica gel supported pyrolysis of an azido-homo-oxa steroid led to rearrangement, presumably by a mechanism similar to that of solution phase Schmidt fragmentation, to produce a group of novel inhibitors for the oncogenic cell cycle regulator Cdc25A phosphatase. Cyano-containing acid 17, one of the best inhibitors in this group, inhibited the activity of Cdc... aid9246.table aid9246.tbin
9247 1 Title: 1,3-Dialkyl-3-acyltriazenes, a novel class of antineoplastic alkylating agents. Abstract: Aliphatic triazenes, such as 1,3-dimethyltriazene, are potent biological alkylating agents because they form alkyldiazonium ions. They are also subject to very rapid proteolytic decomposition, even at physiological pH. The acylated analogues 1,3-dialkyl-3-acyltrizenes are much more stable in aqueous solution, but they also give rise to alkyldiazonium ions. Four acylated 1,3-dimethyltriazenes, where t... aid9247.table aid9247.tbin
9248 1 Title: 1,3-Dialkyl-3-acyltriazenes, a novel class of antineoplastic alkylating agents. Abstract: Aliphatic triazenes, such as 1,3-dimethyltriazene, are potent biological alkylating agents because they form alkyldiazonium ions. They are also subject to very rapid proteolytic decomposition, even at physiological pH. The acylated analogues 1,3-dialkyl-3-acyltrizenes are much more stable in aqueous solution, but they also give rise to alkyldiazonium ions. Four acylated 1,3-dimethyltriazenes, where t... aid9248.table aid9248.tbin
9249 3 Title: 4-Substituted 4-hydroxycyclohexa-2,5-dien-1-ones with selective activities against colon and renal cancer cell lines. Abstract: The synthesis and antitumor evaluation of a series of new heteroaromatic- and aromatic-substituted hydroxycyclohexadienones (&quot;quinols&quot;), and their imine counterparts, are described. The quinols were synthesized via the addition of a lithiated aromatic moiety to a quinone ketal followed by deprotection. When the aromatic portion of the molecule is a fuse... aid9249.table aid9249.tbin
9250 7 Title: 4-Substituted 4-hydroxycyclohexa-2,5-dien-1-ones with selective activities against colon and renal cancer cell lines. Abstract: The synthesis and antitumor evaluation of a series of new heteroaromatic- and aromatic-substituted hydroxycyclohexadienones (&quot;quinols&quot;), and their imine counterparts, are described. The quinols were synthesized via the addition of a lithiated aromatic moiety to a quinone ketal followed by deprotection. When the aromatic portion of the molecule is a fuse... aid9250.table aid9250.tbin
9251 1 Title: Indole naphthyridinones as inhibitors of bacterial enoyl-ACP reductases FabI and FabK. Abstract: Bacterial enoyl-ACP reductase (FabI) is responsible for catalyzing the final step of bacterial fatty acid biosynthesis and is an attractive target for the development of novel antibacterial agents. Previously we reported the development of FabI inhibitor 4 with narrow spectrum antimicrobial activity and in vivo efficacy against Staphylococcus aureus via intraperitoneal (ip) administration. Thr... aid9251.table aid9251.tbin
9252 2 Title: Development of potential antitumor agents. Synthesis and biological evaluation of a new set of sulfonamide derivatives as histone deacetylase inhibitors. Abstract: A series of sulfonamide hydroxamic acids and anilides have been synthesized and studied as histone deacetylase (HDAC) inhibitors that can induce hyperacetylation of histones in human cancer cells. The inhibition of HDAC activity represents a novel approach for intervening in cell cycle regulation. The lead candidates were scree... aid9252.table aid9252.tbin
9253 20 Title: Synthesis and antitumor activity of structural analogues of the epipodophyllotoxins. Abstract: Several ring-contracted analogues of the antitumor agent etoposide have been prepared. The synthesis of the simple indanyl system 3 is described along with two bicyclic systems of general structure 4 prepared through a stereoselective allylation of the keto-ester 6. A cis-fused lactone analogue 5, which is isomeric with the etoposide aglycone, has been synthesized via a dialkylation of the inden... aid9253.table aid9253.tbin
9254 27 Title: Acetogenins as selective inhibitors of the human ovarian 1A9 tumor cell line. Abstract: Several bioactive acetogenins were selective against 1A9 (ovarian cancer) cell replication but did not show a corresponding hyperactivity against other cell lines. The most active compound (26, molvizarin) was a selective inhibitor of 1A9 cell replication with a potency (ED(50) = 5 pg/mL) of over 1 million times more than that for other cell lines. aid9254.table aid9254.tbin
9255 2 Title: Acetogenins as selective inhibitors of the human ovarian 1A9 tumor cell line. Abstract: Several bioactive acetogenins were selective against 1A9 (ovarian cancer) cell replication but did not show a corresponding hyperactivity against other cell lines. The most active compound (26, molvizarin) was a selective inhibitor of 1A9 cell replication with a potency (ED(50) = 5 pg/mL) of over 1 million times more than that for other cell lines. aid9255.table aid9255.tbin
9256 13 Title: Rational design, synthesis and structure-activity relationships of antitumor (E)-2-benzylidene-1-tetralones and (E)-2-benzylidene-1-indanones. Abstract: Novel substituted 6,7-dimethoxy-1-tetralones and 5,6-dimethoxy-1-indanones have been synthesized and evaluated for their cytotoxicity. Compounds with 3'-lipophilic, 3',5'-dilipophilic, or 3',5'-dilipophilic-4'-hydrophilic substituents on (E)-2-benzylidene moiety showed highly cytotoxic effects. The unique structure of 42 possibly matches ... aid9256.table aid9256.tbin
9257 33 Title: Rational design, synthesis and structure-activity relationships of antitumor (E)-2-benzylidene-1-tetralones and (E)-2-benzylidene-1-indanones. Abstract: Novel substituted 6,7-dimethoxy-1-tetralones and 5,6-dimethoxy-1-indanones have been synthesized and evaluated for their cytotoxicity. Compounds with 3'-lipophilic, 3',5'-dilipophilic, or 3',5'-dilipophilic-4'-hydrophilic substituents on (E)-2-benzylidene moiety showed highly cytotoxic effects. The unique structure of 42 possibly matches ... aid9257.table aid9257.tbin
9258 6 Title: Rational design, synthesis and structure-activity relationships of antitumor (E)-2-benzylidene-1-tetralones and (E)-2-benzylidene-1-indanones. Abstract: Novel substituted 6,7-dimethoxy-1-tetralones and 5,6-dimethoxy-1-indanones have been synthesized and evaluated for their cytotoxicity. Compounds with 3'-lipophilic, 3',5'-dilipophilic, or 3',5'-dilipophilic-4'-hydrophilic substituents on (E)-2-benzylidene moiety showed highly cytotoxic effects. The unique structure of 42 possibly matches ... aid9258.table aid9258.tbin
9259 1 In vitro inhibitory activity against A549 tumor cell culture aid9259.table aid9259.tbin
9260 3 In vitro inhibitory activity against A549 tumor cell culture; IA= Inactive aid9260.table aid9260.tbin
9261 1 Title: Synthesis and biological evaluation of 2-indolyloxazolines as a new class of tubulin polymerization inhibitors. Discovery of A-289099 as an orally active antitumor agent. Abstract: A series of indole containing oxazolines has been discovered as a result of structural modifications of the lead compound A-105972. The compounds exert their anticancer activity through inhibition of tubulin polymerization by binding at the colchicine site. A-289099 was identified as an orally active antimitoti... aid9261.table aid9261.tbin
9262 9 Title: Syntheses and biological activities of a novel group of steroidal derived inhibitors for human Cdc25A protein phosphatase. Abstract: Silica gel supported pyrolysis of an azido-homo-oxa steroid led to rearrangement, presumably by a mechanism similar to that of solution phase Schmidt fragmentation, to produce a group of novel inhibitors for the oncogenic cell cycle regulator Cdc25A phosphatase. Cyano-containing acid 17, one of the best inhibitors in this group, inhibited the activity of Cdc... aid9262.table aid9262.tbin
9263 2 Title: Synthesis of N-[4-[1-ethyl-2-(2,4-diaminofuro[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-L-glutamic acid as an antifolate. Abstract: N-[4-[1-Ethyl-2-(2,4-diaminofuro[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-L-glutamic acid 3 was designed and synthesized to investigate the effect of homologation of a C9-methyl to an ethyl on dihydrofolate reductase (DHFR) inhibition and on antitumor activity. Compound 3 was obtained via a concise seven step synthesis starting from palladium-catalyzed carbonylation of ... aid9263.table aid9263.tbin
9264 10 Title: Structures and cytotoxic properties of trichoverroids and their macrolide analogues produced by saltwater culture of Myrothecium verrucaria. Abstract: Saltwater culture of Myrothecium verrucaria, separated from a Spongia sp. collected in Hawaii, was a source of three new trichothecenes, 3-hydroxyroridin E (1a), 13'-acetyltrichoverrin B (2), and miophytocen C (3) and nine known related compounds (1b, 4, 5, 6, 7a, 7b, 8, 9a, and 9b). The stereostructures of the new compounds were establishe... aid9264.table aid9264.tbin
9265 2 Title: Design, synthesis, and biological activities of classical N-[4-[2-(2-amino-4-ethylpyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-l-glutamic acid and its 6-methyl derivative as potential dual inhibitors of thymidylate synthase and dihydrofolate reductase and as potential antitumor agents. Abstract: Two novel analogues, N-[2-amino-4-ethyl[(pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-l-glutamic acid (2) and N-[2-amino-4-ethyl-6-methyl[(pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-l-glutamic acid... aid9265.table aid9265.tbin
9266 1 Title: Design, synthesis, and biological activities of classical N-[4-[2-(2-amino-4-ethylpyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-l-glutamic acid and its 6-methyl derivative as potential dual inhibitors of thymidylate synthase and dihydrofolate reductase and as potential antitumor agents. Abstract: Two novel analogues, N-[2-amino-4-ethyl[(pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-l-glutamic acid (2) and N-[2-amino-4-ethyl-6-methyl[(pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-l-glutamic acid... aid9266.table aid9266.tbin
9267 4 In vitro cytotoxicity against human Non-small cell lung cancer A549/ATCC cell line. aid9267.table aid9267.tbin
9268 3 Title: Arylsulfonyl-N,N-diethyl-dithiocarbamates: a novel class of antitumor agents. Abstract: A series of alkyl/arylsulfonyl-N,N-diethyl-dithiocarbamates has been prepared by reaction of sodium N,N-diethyldithiocarbamate with alkyl/arylsulfonyl halides. The reactivity of these new derivatives against cysteine and glutathione has been investigated in order to identify derivatives that might label a critical cysteine residue of tubulin (Cys 239 of human beta2 tubulin chain). Some of the most reac... aid9268.table aid9268.tbin
9269 2 Title: 6-Substituted 2,4-diaminopyrido[3,2-d]pyrimidine analogues of piritrexim as inhibitors of dihydrofolate reductase from rat liver, Pneumocystis carinii, and Toxoplasma gondii and as antitumor agents. Abstract: The synthesis and biological activity are reported for 21 6-substituted 2,4-diaminopyrido[3,2-d]pyrimidine analogues (4-24) of piritrexim (PTX) as inhibitors of dihydrofolate reductase (DHFR) and as antitumor agents. Recombinant DHFR from Pneumocystis carinii (pc) and native DHFR fro... aid9269.table aid9269.tbin
9270 2 Title: Arylsulfonyl-N,N-diethyl-dithiocarbamates: a novel class of antitumor agents. Abstract: A series of alkyl/arylsulfonyl-N,N-diethyl-dithiocarbamates has been prepared by reaction of sodium N,N-diethyldithiocarbamate with alkyl/arylsulfonyl halides. The reactivity of these new derivatives against cysteine and glutathione has been investigated in order to identify derivatives that might label a critical cysteine residue of tubulin (Cys 239 of human beta2 tubulin chain). Some of the most reac... aid9270.table aid9270.tbin
9271 4 Tested for in vitro cytotoxicity against non-small cell lung cancer cell line A549/ATCC aid9271.table aid9271.tbin
9272 14 Title: Design and synthesis of ellipticinium salts and 1,2-dihydroellipticines with high selectivities against human CNS cancers in vitro. Abstract: 9-Methoxy-2-methylellipticinium acetate (6), along with the 9-methyl and 9-chloro derivatives (7, and 8, respectively) have shown remarkable selectivities in vitro against the NCI human CNS cancer subpanel. In order to target these types of compounds to the CNS in vivo, a series of 1,2-dihydroellipticines was synthesized. 9-Methoxy-2-methyl-1,2-dihy... aid9272.table aid9272.tbin
9273 5 Title: 6-Substituted 2,4-diaminopyrido[3,2-d]pyrimidine analogues of piritrexim as inhibitors of dihydrofolate reductase from rat liver, Pneumocystis carinii, and Toxoplasma gondii and as antitumor agents. Abstract: The synthesis and biological activity are reported for 21 6-substituted 2,4-diaminopyrido[3,2-d]pyrimidine analogues (4-24) of piritrexim (PTX) as inhibitors of dihydrofolate reductase (DHFR) and as antitumor agents. Recombinant DHFR from Pneumocystis carinii (pc) and native DHFR fro... aid9273.table aid9273.tbin
9274 4 Title: Synthesis and potent antifolate activity and cytotoxicity of B-ring deaza analogues of the nonpolyglutamatable dihydrofolate reductase inhibitor Nalpha-(4-amino-4-deoxypteroyl)-Ndelta-hemiphthaloyl- L-ornithine (PT523). Abstract: Six new B-ring analogues of the nonpolyglutamatable antifolate Nalpha-(4-amino-4-deoxypteroyl)-Ndelta-hemiphthaloy l-L-ornithine (PT523, 3) were synthesized with a view to determining the effect of modifications at the 5- and/or 8-position on dihydrofolate reduct... aid9274.table aid9274.tbin
9275 6 Title: 6-Substituted 2,4-diaminopyrido[3,2-d]pyrimidine analogues of piritrexim as inhibitors of dihydrofolate reductase from rat liver, Pneumocystis carinii, and Toxoplasma gondii and as antitumor agents. Abstract: The synthesis and biological activity are reported for 21 6-substituted 2,4-diaminopyrido[3,2-d]pyrimidine analogues (4-24) of piritrexim (PTX) as inhibitors of dihydrofolate reductase (DHFR) and as antitumor agents. Recombinant DHFR from Pneumocystis carinii (pc) and native DHFR fro... aid9275.table aid9275.tbin
9276 2 Compound was evaluated for cytotoxic activity against non-small lung cancer A549/ATCC cell lines. aid9276.table aid9276.tbin
9277 1 Title: Pyrrolo[1,2-a]benzimidazole-based aziridinyl quinones. A new class of DNA cleaving agent exhibiting G and A base specificity. Abstract: Pyrrolo[1,2-a]benzimidazole(PBI)-based aziridinyl quinones cleave DNA under reducing conditions specifically at G + A bases without any significant cleavage at C + T bases. The postulated mechanisms involve phosphate alkylation by the reductively activated aziridine to afford a hydrolytically labile phosphotriester as well as the classic N(7) purine alkyl... aid9277.table aid9277.tbin
9278 1 Title: Antitumour benzothiazoles. Part 20: 3'-cyano and 3'-alkynyl-substituted 2-(4'-aminophenyl)benzothiazoles as new potent and selective analogues. Abstract: The synthesis of a new series of antitumour 2-(4-aminophenyl)benzothiazole analogues, substituted in the 3'-position by cyano or alkynyl groups, is described. Several of the analogues, notably the 5-fluorinated compounds 7c and 9c, were found to possess potent in vitro activity against MCF-7 and MDA 468 human cancer cell lines. More comp... aid9278.table aid9278.tbin
9279 1 Title: Linker length modulates DNA cross-linking reactivity and cytotoxic potency of C8/C8' ether-linked C2-exo-unsaturated pyrrolo[2,1-c][1,4]benzodiazepine (PBD) dimers. Abstract: A C2/C2'-exo-unsaturated pyrrolo[2,1-c][1,4]benzodiazepine (PBD) dimer 4b (DRG-16) with a C8-O(CH2)nO-C8' diether linkage (n = 5) has been synthesized that shows markedly superior in vitro cytotoxic potency (e.g., &gt;3400-fold in IGROV1 ovarian cells) and interstrand DNA cross-linking reactivity (&gt;10-fold) compar... aid9279.table aid9279.tbin
9280 4 Title: Structure-activity studies of benzimidazole-based DNA-cleaving agents. Comparison of benzimidazole, pyrrolobenzimidazole, and tetrahydropyridobenzimidazole analogues. Abstract: The synthesis and cytotoxic properties of benzimidazole-based DNA-cleaving agents are presented herein. These agents include pyrrolo[1,2-a]benzimidazole (PBI), benzimidazole (BI), and tetrahydropyrido[1,2-a]benzimidazole (TPBI) analogues. As a result of these studies, it is concluded that the pyrrolo ring is not ne... aid9280.table aid9280.tbin
9281 1 Title: Synthesis and evaluation of a series of benzylaniline hydrochlorides as potential cytotoxic and antimitotic agents acting by inhibition of tubulin polymerization. Abstract: Although certain substituted cis-stilbenes have displayed potent tubulin polymerization inhibitory activity and significant cytotoxicities in cancer cell cultures, these compounds have limited aqueous solubility and are therefore difficult to formulate for in vivo evaluation. A series of water-soluble N-(3,4,5-trimetho... aid9281.table aid9281.tbin
9282 18 Title: Antitumor agents. 141. Synthesis and biological evaluation of novel thiocolchicine analogs: N-acyl-, N-aroyl-, and N-(substituted benzyl)deacetylthiocolchicines as potent cytotoxic and antimitotic compounds. Abstract: Three series of novel thiocolchicine analogs, N-acyl-, N-aroyl-, and N-(substituted benzyl)-deacetylthiocolchicinoids, have been synthesized and evaluated for their cytotoxicity against various tumor cell lines, especially solid tumor cell lines, and for their inhibitory eff... aid9282.table aid9282.tbin
9283 2 Title: Design and synthesis of ellipticinium salts and 1,2-dihydroellipticines with high selectivities against human CNS cancers in vitro. Abstract: 9-Methoxy-2-methylellipticinium acetate (6), along with the 9-methyl and 9-chloro derivatives (7, and 8, respectively) have shown remarkable selectivities in vitro against the NCI human CNS cancer subpanel. In order to target these types of compounds to the CNS in vivo, a series of 1,2-dihydroellipticines was synthesized. 9-Methoxy-2-methyl-1,2-dihy... aid9283.table aid9283.tbin
9284 5 Title: Synthesis and anticancer evaluation of certain alpha-methylene-gamma-(4-substituted phenyl)-gamma-butyrolactone bearing thymine, uracil, and 5-bromouracil. Abstract: Certain alpha-methylene-gamma-(4-substituted phenyl)-gamma-butyrolactone bearing thymine, uracil, and 5-bromouracil were synthesized and evaluated for their anticancer activity. These compounds demonstrated a strong growth inhibitory activity against leukemia cell lines. The anticancer potency for the substituents of the lact... aid9284.table aid9284.tbin
9285 1 Title: 4-Substituted 4-hydroxycyclohexa-2,5-dien-1-ones with selective activities against colon and renal cancer cell lines. Abstract: The synthesis and antitumor evaluation of a series of new heteroaromatic- and aromatic-substituted hydroxycyclohexadienones (&quot;quinols&quot;), and their imine counterparts, are described. The quinols were synthesized via the addition of a lithiated aromatic moiety to a quinone ketal followed by deprotection. When the aromatic portion of the molecule is a fuse... aid9285.table aid9285.tbin
9286 8 Title: 1,3-Dialkyl-3-acyltriazenes, a novel class of antineoplastic alkylating agents. Abstract: Aliphatic triazenes, such as 1,3-dimethyltriazene, are potent biological alkylating agents because they form alkyldiazonium ions. They are also subject to very rapid proteolytic decomposition, even at physiological pH. The acylated analogues 1,3-dialkyl-3-acyltrizenes are much more stable in aqueous solution, but they also give rise to alkyldiazonium ions. Four acylated 1,3-dimethyltriazenes, where t... aid9286.table aid9286.tbin
9287 3 Title: A paclitaxel analogue with a 2(3--&gt;20)abeotaxane skeleton: synthesis and biological evaluation. Abstract: A paclitaxel analogue having an unusual tricyclic [9.3.1.1] hexadecane skeleton was synthesized from deaminoacyltaxine A, a 2(3--&gt;20) abeotaxane isolated in considerable amounts from the leaves of Taxus baccata L. In preliminary studies, this compound showed a much lower cytotoxicity than paclitaxel. aid9287.table aid9287.tbin
9288 1 Title: Substituted 3-amino biaryl propionic acids as potent VLA-4 antagonists. Abstract: A series of substituted N-(3,5-dichlorobenzenesulfonyl)-(L)-prolyl- and (L)-azetidyl-beta-biaryl beta-alanine derivatives was prepared as selective and potent VLA-4 antagonists. The 2,6-dioxygenated biaryl substitution pattern is important for optimizing potency. Oral bioavailability was variable and may be a result of binding to circulating plasma proteins. aid9288.table aid9288.tbin
9289 1 Title: Aryl tetrahydropyridine inhibitors of farnesyltransferase: bioavailable analogues with improved cellular potency. Abstract: Inhibitors of farnesyltransferase are effective against a variety of tumors in mouse models of cancer. Clinical trials to evaluate these agents in humans are ongoing. In our effort to develop new farnesyltransferase inhibitors, we have discovered bioavailable aryl tetrahydropyridines that are potent in cell culture. The design, synthesis, SAR and biological propertie... aid9289.table aid9289.tbin
9290 1 Title: Aryl tetrahydropyridine inhibitors of farnesyltransferase: bioavailable analogues with improved cellular potency. Abstract: Inhibitors of farnesyltransferase are effective against a variety of tumors in mouse models of cancer. Clinical trials to evaluate these agents in humans are ongoing. In our effort to develop new farnesyltransferase inhibitors, we have discovered bioavailable aryl tetrahydropyridines that are potent in cell culture. The design, synthesis, SAR and biological propertie... aid9290.table aid9290.tbin
9291 8 Title: 2-Arylindoles as gonadotropin releasing hormone (GnRH) antagonists: optimization of the tryptamine side chain. Abstract: A series of 2-arylindoles containing novel heteroaromatic substituents on the tryptamine tether, based on compound 1, was prepared and evaluated for their ability to act as gonadotropin releasing hormone (GnRH) antagonists. Successful modifications of 1 included chain length variation (reduction) and replacement of the pyridine with heteroaromatic groups. These alterati... aid9291.table aid9291.tbin
9292 1 Title: 2-Arylindoles as gonadotropin releasing hormone (GnRH) antagonists: optimization of the tryptamine side chain. Abstract: A series of 2-arylindoles containing novel heteroaromatic substituents on the tryptamine tether, based on compound 1, was prepared and evaluated for their ability to act as gonadotropin releasing hormone (GnRH) antagonists. Successful modifications of 1 included chain length variation (reduction) and replacement of the pyridine with heteroaromatic groups. These alterati... aid9292.table aid9292.tbin
9293 12 Title: Discovery of potent imidazole and cyanophenyl containing farnesyltransferase inhibitors with improved oral bioavailability. Abstract: A pyridyl moiety was introduced into a previously developed series of farnesyltransferase inhibitors containing imidazole and cyanophenyl (such as 4), resulting in potent inhibitors with improved pharmacokinetics. aid9293.table aid9293.tbin
9294 1 Title: Design and synthesis of 1,5-diarylbenzimidazoles as inhibitors of the VEGF-receptor KDR. Abstract: 1,5-Diarylbenzimidazoles have been identified as potent inhibitors of KDR kinase activity. The series was developed with a goal of finding compounds with optimal drug-like properties. This communication describes structural modifications in the series that enhance solubility, lower protein binding, and provide compounds with excellent potency and pharmacokinetic profiles. aid9294.table aid9294.tbin
9295 1 Title: Design and synthesis of 1,5-diarylbenzimidazoles as inhibitors of the VEGF-receptor KDR. Abstract: 1,5-Diarylbenzimidazoles have been identified as potent inhibitors of KDR kinase activity. The series was developed with a goal of finding compounds with optimal drug-like properties. This communication describes structural modifications in the series that enhance solubility, lower protein binding, and provide compounds with excellent potency and pharmacokinetic profiles. aid9295.table aid9295.tbin
9296 1 Title: Design of selective thrombin inhibitors based on the (R)-Phe-Pro-Arg sequence. Abstract: Potent and selective inhibitors of thrombin were sought based on the (R)-Phe-Pro-Arg sequence. The objective was to generate similar binding interactions to those achieved by potent competitive inhibitors of the argatroban type, so eliminating the need for covalent interaction with the catalytic serine function, as utilized by aldehyde and boronic acid type inhibitors. Improving the S(1) subsite inter... aid9296.table aid9296.tbin
9297 2 Title: Synthesis and biological evaluation of 2-indolyloxazolines as a new class of tubulin polymerization inhibitors. Discovery of A-289099 as an orally active antitumor agent. Abstract: A series of indole containing oxazolines has been discovered as a result of structural modifications of the lead compound A-105972. The compounds exert their anticancer activity through inhibition of tubulin polymerization by binding at the colchicine site. A-289099 was identified as an orally active antimitoti... aid9297.table aid9297.tbin
9298 2 Title: L-770,644: a potent and selective human beta3 adrenergic receptor agonist with improved oral bioavailability. Abstract: L-770,644 (9c) is a potent and selective agonist of the human beta3 adrenergic receptor (EC50 = 13 nM). It shows good oral bioavailability in both dogs and rats (%F = 27), and is a full agonist for glycerolemia in the rhesus monkey (ED50 = 0.21 mg/kg). Based on its desirable in vitro and in vivo properties, L-770,644 was chosen for further preclinical evaluation. aid9298.table aid9298.tbin
9299 1 Title: 3-Aminopyrrolidinone farnesyltransferase inhibitors: design of macrocyclic compounds with improved pharmacokinetics and excellent cell potency. Abstract: A series of macrocyclic 3-aminopyrrolidinone farnesyltransferase inhibitors (FTIs) has been synthesized. Compared with previously described linear 3-aminopyrrolidinone FTIs such as compound 1, macrocycles such as 49 combined improved pharmacokinetic properties with a reduced potential for side effects. In dogs, oral bioavailability was g... aid9299.table aid9299.tbin
9300 7 Title: HIV-1 protease inhibitors with picomolar potency against PI-resistant HIV-1 by modification of the P1' substituent. Abstract: Transposition of the pyridyl nitrogen from the P(3) substituent to the P(1)' substituent in HIV-1 protease inhibitors (PI) affords compounds such as 3 with an improved inhibitory profile against multiple P450 isoforms. These compounds also displayed increased potency, with 3 inhibiting viral spread (CIC(95)) at &lt;8 nM for every strain of PI-resistant HIV-1 tested... aid9300.table aid9300.tbin
9301 1 Title: Potent and orally bioavailable noncysteine-containing inhibitors of protein farnesyltransferase. Abstract: Potent and orally bioavailable nonthiol-containing inhibitors of protein farnesyltransferase are described. Oral bioavailability was achieved by replacement of the pyridyl ether moiety of 1 with a 2-substituted furan ether to give 4. Potency was regained with 2,5-disubstituted furan ethers while maintaining the bioavailability inherent in 4. p-Chlorophenylfuran ether 24 is 0.7 nM in ... aid9301.table aid9301.tbin
9302 2 Title: Discovery and evaluation of potent P1 aryl heterocycle-based thrombin inhibitors. Abstract: In an effort to discover potent, clinically useful thrombin inhibitors, a rapid analogue synthetic approach was used to explore the P(1) region. Various benzylamines were coupled to a pyridine/pyrazinone P(2)-P(3) template. One compound with an o-thiadiazole benzylic substitution was found to have a thrombin K(i) of 0.84 nM. A study of ortho-substituted five-membered-ring heterocycles was undertake... aid9302.table aid9302.tbin
9303 2 Title: Syntheses and structure-activity relationship studies of piperidine-substituted quinolones as nonpeptide gonadotropin releasing hormone antagonists. Abstract: Syntheses and structure-activity relationships of piperidine-substituted quinolones as nonpeptide gonadotropin releasing hormone antagonists are described. Some of substituents on the piperidine ring that were investigated included a fused phenyl group, a (6R)-trifluoromethyl group, (6S) and (6R)-methyl group. This study showed that... aid9303.table aid9303.tbin
9304 3 Title: Novel CCR1 antagonists with improved metabolic stability. Abstract: The synthesis, biological activity, and pharmacokinetic profile of novel CCR1 antagonists are described. aid9304.table aid9304.tbin
9305 1 Title: Novel CCR1 antagonists with improved metabolic stability. Abstract: The synthesis, biological activity, and pharmacokinetic profile of novel CCR1 antagonists are described. aid9305.table aid9305.tbin
9306 3 Title: Modification of the pyridine moiety of non-peptidyl indole GnRH receptor antagonists. Abstract: The synthesis of a number of indole GnRH antagonists is described. Oxidation of the pyridine ring nitrogen, combined with alkylation at the two position, led to a compound with an excellent in vitro activity profile as well as oral bioavailability in both rats and dogs. aid9306.table aid9306.tbin
9307 1 Title: Pharmacokinetic optimization of 3-amino-6-chloropyrazinone acetamide thrombin inhibitors. Implementation of P3 pyridine N-oxides to deliver an orally bioavailable series containing P1 N-benzylamides. Abstract: In this manuscript we demonstrate that a modification principally directed toward the improvement of the aqueous solubility (i.e., introduction a P3 pyridine N-oxide) of the previous lead compound afforded a new series of potent orally bioavailable P1 N-benzylamide thrombin inhibito... aid9307.table aid9307.tbin
9308 2 Oral bioavailability aid9308.table aid9308.tbin
9309 3 Oral bioavailability in dog (dosed as neat powder in hard gelatin capsule) aid9309.table aid9309.tbin
9310 1 Oral bioavailability administered in solution in rats aid9310.table aid9310.tbin
9311 1 Title: Structure-based design, synthesis, and biological evaluation of irreversible human rhinovirus 3C protease inhibitors. 6. Structure-activity studies of orally bioavailable, 2-pyridone-containing peptidomimetics. Abstract: The structure-based design, chemical synthesis, and biological evaluation of various 2-pyridone-containing human rhinovirus (HRV) 3C protease (3CP) inhibitors are described. These compounds are comprised of a peptidomimetic binding determinant and a Michael acceptor moiet... aid9311.table aid9311.tbin
9312 1 Title: Imidazo[4,5-c]pyridines as corticotropin releasing factor receptor ligands. Abstract: A series of high affinity CRF receptor ligands with an imidazo[4,5-c]pyridine core is described. Individual analogues were synthesized and tested in vitro in rat brain receptors to determine binding affinity. The best compound was further tested in the dog N-in-1 pharmacokinetic model to assess oral bioavailability at 1 mg/kg po. aid9312.table aid9312.tbin
9313 2 Title: Optimization of the indolyl quinolinone class of KDR (VEGFR-2) kinase inhibitors: effects of 5-amido- and 5-sulphonamido-indolyl groups on pharmacokinetics and hERG binding. Abstract: Modifications to the basic side-chain of early lead structures of the indolyl quinolinone class of KDR kinase inhibitors resulted in improved pharmacokinetic and ancillary profiles. Specifically, compounds bearing 5-amido- and 5-sulphonamido-indolyl substituents exhibited lower plasma clearance and weaker bi... aid9313.table aid9313.tbin
9314 1 Title: Optimization of the indolyl quinolinone class of KDR (VEGFR-2) kinase inhibitors: effects of 5-amido- and 5-sulphonamido-indolyl groups on pharmacokinetics and hERG binding. Abstract: Modifications to the basic side-chain of early lead structures of the indolyl quinolinone class of KDR kinase inhibitors resulted in improved pharmacokinetic and ancillary profiles. Specifically, compounds bearing 5-amido- and 5-sulphonamido-indolyl substituents exhibited lower plasma clearance and weaker bi... aid9314.table aid9314.tbin
9315 1 Title: Design, synthesis and testing of amino-bicycloaryl based orally bioavailable thrombin inhibitors. Abstract: Replacement of the highly basic benzamidine moiety with moderate basic amino-bicycloaryl moieties in a series of thrombin inhibitors related to NAPAMP provided potent enzyme inhibition and significant improvements in membrane transport and oral bioavailability. aid9315.table aid9315.tbin
9316 1 Title: The identification of clinical candidate SB-480848: a potent inhibitor of lipoprotein-associated phospholipase A2. Abstract: Modification of the pyrimidone 5-substituent in clinical candidate SB-435495 has given a series of inhibitors of recombinant lipoprotein-associated phospholipase A(2) with sub-nanomolar potency. Cyclopentyl fused derivative 21, SB-480848, showed an enhanced in vitro and in vivo profile versus SB-435495 and has been selected for progression to man. aid9316.table aid9316.tbin
9317 10 Title: Rational design, synthesis and structure-activity relationships of a cyclic succinate series of TNF-alpha converting enzyme inhibitors. Part 2: lead optimization. Abstract: Modifications of the lead TACE inhibitor 1 (N-hydroxy-trans-2-[[4-(4-quinolinyloxymethyl)anilinyl]carbonyl]-1-cyclohexanecarboxamide) at the cyclohexyl ring and the quinoline moiety led to the identification of a series of piperidine containing TACE inhibitors with potent activity in the inhibition of TNF-alpha release... aid9317.table aid9317.tbin
9318 2 Title: Substituted acrylamides as factor Xa inhibitors: improving bioavailability by P1 modification. Abstract: To overcome the low bioavailability of our substituted acrylamide P1 benzamidine factor Xa inhibitors reported previously, neutral and less basic groups were used to replace the benzamidine. As a result, a series of P1 aminoisoquinoline substituted acrylamide Xa inhibitors was identified to be potent, selective, and orally bioavailable. Modification of P4 moiety of these compounds furt... aid9318.table aid9318.tbin
9319 1 Title: Substituted acrylamides as factor Xa inhibitors: improving bioavailability by P1 modification. Abstract: To overcome the low bioavailability of our substituted acrylamide P1 benzamidine factor Xa inhibitors reported previously, neutral and less basic groups were used to replace the benzamidine. As a result, a series of P1 aminoisoquinoline substituted acrylamide Xa inhibitors was identified to be potent, selective, and orally bioavailable. Modification of P4 moiety of these compounds furt... aid9319.table aid9319.tbin
9320 1 Title: Peptidomimetic growth hormone secretagogues. Design considerations and therapeutic potential. aid9320.table aid9320.tbin
9321 6 Title: Orally bioavailable, indole-based nonpeptide GnRH receptor antagonists with high potency and functional activity. Abstract: Stereospecific introduction of a methyl group to the indole-3-side chain enhanced activity in our tryptamine-derived series of GnRH receptor antagonists. Further improvements were achieved by variation of the bicyclic amino moiety of the tertiary amide and by adjustment of the tether length to a pyridine or pyridone terminus. These modifications culminated in analogu... aid9321.table aid9321.tbin
9322 1 Title: p38 Inhibitors: piperidine- and 4-aminopiperidine-substituted naphthyridinones, quinolinones, and dihydroquinazolinones. Abstract: We have synthesized a series of C7-piperidine- and 4-aminopiperidine-substituted naphthyridinones, quinolinones, and dihydroquinazolinones that are highly potent inhibitors of both p38MAP kinase activity and TNF-alpha release. The 4-aminopentamethylpiperidine naphthyridinone 5, which was designed to block metabolism at major 'hot spots', combined excellent inh... aid9322.table aid9322.tbin
9323 1 Title: Muscarinic M(3) receptor antagonists with (2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxyphenylacetamide Structures. Part 2. Abstract: Optimization of the amine part of our original muscarinic M(3) receptor antagonist 1 was performed to identify M(3) receptor antagonists that are superior to 1. Compounds carrying a variety of diamine moieties without hydrophobic substituent on the nitrogen atom were screened against the binding affinity for the M(3) receptor and the selectivity for M(3) o... aid9323.table aid9323.tbin
9324 2 Title: Synthesis, pharmacology and pharmacokinetics of 3-(4-aryl-piperazin-1-ylalkyl)-uracils as uroselective alpha1A-antagonists. Abstract: Predominance in the urethra and prostate of the alpha(1A)-adrenoceptor subtype, which is believed to be the receptor mediating noradrenaline induced smooth muscle contraction in these tissues, led to the preparation of alpha(1A)-selective antagonists to be tested as uroselective compounds for the treatment of benign prostatic hyperplasia. Thus, a number of ... aid9324.table aid9324.tbin
9325 2 Title: Synthesis, pharmacology and pharmacokinetics of 3-(4-aryl-piperazin-1-ylalkyl)-uracils as uroselective alpha1A-antagonists. Abstract: Predominance in the urethra and prostate of the alpha(1A)-adrenoceptor subtype, which is believed to be the receptor mediating noradrenaline induced smooth muscle contraction in these tissues, led to the preparation of alpha(1A)-selective antagonists to be tested as uroselective compounds for the treatment of benign prostatic hyperplasia. Thus, a number of ... aid9325.table aid9325.tbin
9326 1 Title: N-isonicotinoyl-(L)-4-aminophenylalanine derivatives as tight binding VLA-4 antagonists. Abstract: A series of isonicotinoyl-(L)-aminophenylalanine derivatives was prepared and evaluated as VLA-4 antagonists. These compounds exhibit subnanomolar binding affinity to VLA-4 and significant off-rates. The interplay between off-rate, protein binding and pharmacokinetics is discussed. aid9326.table aid9326.tbin
9327 1 Title: The discovery of sulfonylated dipeptides as potent VLA-4 antagonists. Abstract: Directed screening of a carboxylic acid-containing combinatorial library led to the discovery of potent inhibitors of the integrin VLA-4. Subsequent optimization by solid-phase synthesis afforded a series of sulfonylated dipeptide inhibitors with structural components that when combined in a single hybrid molecule gave a sub-nanomolar inhibitor as a lead for medicinal chemistry. Preliminary metabolic studies l... aid9327.table aid9327.tbin
9328 1 Title: L-770,644: a potent and selective human beta3 adrenergic receptor agonist with improved oral bioavailability. Abstract: L-770,644 (9c) is a potent and selective agonist of the human beta3 adrenergic receptor (EC50 = 13 nM). It shows good oral bioavailability in both dogs and rats (%F = 27), and is a full agonist for glycerolemia in the rhesus monkey (ED50 = 0.21 mg/kg). Based on its desirable in vitro and in vivo properties, L-770,644 was chosen for further preclinical evaluation. aid9328.table aid9328.tbin
9329 3 Title: Potent, selective 3-pyridylethanolamine beta3 adrenergic receptor agonists possessing a thiazole benzenesulfonamide pharmacophore. Abstract: A series of thiazole benzenesulfonamide-substituted 3-pyridylethanolamines was prepared and evaluated for their human beta3 adrenergic receptor agonist activity. Incorporation of aryl and heteroaryl substitution in the 4-position of the thiazole ring resulted in a number of highly potent and selective beta3 agonists. Results of preliminary in vivo ev... aid9329.table aid9329.tbin
9330 2 Title: Design and synthesis of factor Xa inhibitors and their prodrugs. Abstract: In addition to our previously reported fluoro acrylamides Xa inhibitors 2 and 3, a series of potent and novel cyclic diimide amidine compounds has been identified. In efforts to improve their oral bioavailability, replacement of the amidine group with methyl amidrazone gives compounds of moderate potency (14, IC(50)=0.028 microM). In the amidoxime prodrug approach, the amidoxime compounds show good oral bioavailabi... aid9330.table aid9330.tbin
9331 21 Title: Pyridone-containing farnesyltransferase inhibitors: synthesis and biological evaluation. Abstract: Farnesyltransferase inhibitors (FTIs) have been developed as potential anti-cancer agents due to their efficacy in blocking malignant growth in a variety of murine models of human tumors. To that end, we have developed a series of pyridone farnesyltransferase inhibitors with potent in vitro and cellular activity. The synthesis, SAR and biological properties of these compounds will be discuss... aid9331.table aid9331.tbin
9332 1 Title: The identification of clinical candidate SB-480848: a potent inhibitor of lipoprotein-associated phospholipase A2. Abstract: Modification of the pyrimidone 5-substituent in clinical candidate SB-435495 has given a series of inhibitors of recombinant lipoprotein-associated phospholipase A(2) with sub-nanomolar potency. Cyclopentyl fused derivative 21, SB-480848, showed an enhanced in vitro and in vivo profile versus SB-435495 and has been selected for progression to man. aid9332.table aid9332.tbin
9333 3 Title: Pharmacokinetic optimization of 3-amino-6-chloropyrazinone acetamide thrombin inhibitors. Implementation of P3 pyridine N-oxides to deliver an orally bioavailable series containing P1 N-benzylamides. Abstract: In this manuscript we demonstrate that a modification principally directed toward the improvement of the aqueous solubility (i.e., introduction a P3 pyridine N-oxide) of the previous lead compound afforded a new series of potent orally bioavailable P1 N-benzylamide thrombin inhibito... aid9333.table aid9333.tbin
9334 1 Title: Oxyguanidines: application to non-peptidic phenyl-based thrombin inhibitors. Abstract: Although thrombin has been extensively researched with many examples of potent and selective inhibitors, the key characteristics of oral bioavailability and long half-life have been elusive. We report here a novel series non-peptidic phenyl-based, highly potent, highly selective and orally bioavailable thrombin inhibitors using oxyguanidines as guanidine-mimetics. aid9334.table aid9334.tbin
9335 1 Title: Pyran-containing sulfonamide hydroxamic acids: potent MMP inhibitors that spare MMP-1. Abstract: The SAR of a series of sterically hindered sulfonamide hydroxamic acids with relatively large P1' groups is described. The compounds typically spare MMP-1 while being potent inhibitors of MMP-13. The metabolically more stable compounds in the series contain either a monocyclic or bicyclic pyran ring adjacent to the hydroxamate group. Despite the sparing of MMP-1, pre-clinical and clinical stud... aid9335.table aid9335.tbin
9336 1 Title: Design, synthesis, and SAR of anthranilamide-based factor Xa inhibitors with improved functional activity. Abstract: Compound 2 containing an aminomethylbenzoyl moiety as the S4 binding motif was synthesized in order to modulate hydrophlicity of anthranilamide-based factor Xa inhibitors with substituted biphenyl P4 groups. Structure-activity relationship studies around 2 have led to a series of potent factor Xa inhibitors which are highly active in the human plasma-based thrombin generati... aid9336.table aid9336.tbin
9337 5 Title: Pyridone-containing farnesyltransferase inhibitors: synthesis and biological evaluation. Abstract: Farnesyltransferase inhibitors (FTIs) have been developed as potential anti-cancer agents due to their efficacy in blocking malignant growth in a variety of murine models of human tumors. To that end, we have developed a series of pyridone farnesyltransferase inhibitors with potent in vitro and cellular activity. The synthesis, SAR and biological properties of these compounds will be discuss... aid9337.table aid9337.tbin
9338 1 Oral bioavailability in dog aid9338.table aid9338.tbin
9339 1 Title: Modification of the pyridine moiety of non-peptidyl indole GnRH receptor antagonists. Abstract: The synthesis of a number of indole GnRH antagonists is described. Oxidation of the pyridine ring nitrogen, combined with alkylation at the two position, led to a compound with an excellent in vitro activity profile as well as oral bioavailability in both rats and dogs. aid9339.table aid9339.tbin
9340 6 Title: Antagonists of human CCR5 receptor containing 4-(pyrazolyl)piperidine side chains. Part 3: SAR studies on the benzylpyrazole segment. Abstract: Extensive SAR studies in our benzylpyrazole series of CCR5 antagonists have shown that both lipophilic and hydrophilic substituents on the phenyl of the benzyl group increase antiviral potency. However, improvements in pharmacokinetic profiles were generally only observed with more lipophilic substitutions. 4-Biphenyl (51) performed the best in th... aid9340.table aid9340.tbin
9341 2 Title: Antagonists of human CCR5 receptor containing 4-(pyrazolyl)piperidine side chains. Part 2: Discovery of potent, selective, and orally bioavailable compounds. Abstract: Modifications of the alkyl acetic acid portion and the phenyl on pyrrolidine in our lead pyrazole compound 1 afforded the isopropyl compound 9. This compound is a potent CCR5 antagonist showing good in vitro antiviral activity against HIV-1, an excellent selectivity profile, and good oral bioavailability in three animal spe... aid9341.table aid9341.tbin
9342 2 Title: Antagonists of human CCR5 receptor containing 4-(pyrazolyl)piperidine side chains. Part 3: SAR studies on the benzylpyrazole segment. Abstract: Extensive SAR studies in our benzylpyrazole series of CCR5 antagonists have shown that both lipophilic and hydrophilic substituents on the phenyl of the benzyl group increase antiviral potency. However, improvements in pharmacokinetic profiles were generally only observed with more lipophilic substitutions. 4-Biphenyl (51) performed the best in th... aid9342.table aid9342.tbin
9343 1 Title: 1,3,4-Trisubstituted pyrrolidine CCR5 receptor antagonists: modifications of the arylpropylpiperidine side chains. Abstract: The 4-(3-phenylprop-1-yl)piperidine moiety of the 1,3,4-trisubstituted pyrrolidine CCR5 antagonist 1 was modified with electron deficient aromatics as well as replacement of the benzylic methylene with sulfones, gem-difluoromethylenes and alcohols in an effort to balance the antiviral potency with reasonable pharmacokinetics. aid9343.table aid9343.tbin
9344 6 Title: Non-peptide alpha(v)beta(3) antagonists: identification of potent, chain-shortened RGD mimetics that incorporate a central pyrrolidinone constraint. Abstract: Antagonists of the integrin receptor alpha(v)beta(3) are expected to have utility in the treatment of osteoporosis through inhibition of bone resorption. A series of potent, chain-shortened, pyrrolidinone-containing alpha(v)beta(3) receptor antagonists is described. Two sets of diasteromeric pairs of high-affinity antagonists demons... aid9344.table aid9344.tbin
9345 4 Title: Discovery of a potent, orally bioavailable beta(3) adrenergic receptor agonist, (R)-N-[4-[2-[[2-hydroxy-2-(3-pyridinyl)ethyl]amino]ethyl]phenyl]-4-[4 -[4-(trifluoromethyl)phenyl]thiazol-2-yl]benzenesulfonamide. Abstract: As part of our investigation into the development of orally bioavailable beta(3) adrenergic receptor agonists, we have identified a series of pyridylethanolamine analogues possessing a substituted thiazole benzenesulfonamide pharmacophore that are potent human beta(3) ago... aid9345.table aid9345.tbin
9346 4 Title: Non-peptide alphavbeta3 antagonists. Part 6: design and synthesis of alphavbeta3 antagonists containing a pyridone or pyrazinone central scaffold. Abstract: Two novel series of small-molecule RGD mimetics containing either a substituted pyridone or pyrazinone central constraint were prepared. Modification of the beta-alanine 3-substituent produced compounds that are potent and selective alpha(v)beta(3) antagonists and exhibit a range of physicochemical properties. aid9346.table aid9346.tbin
9347 4 Title: Non-peptide alphavbeta3 antagonists. Part 6: design and synthesis of alphavbeta3 antagonists containing a pyridone or pyrazinone central scaffold. Abstract: Two novel series of small-molecule RGD mimetics containing either a substituted pyridone or pyrazinone central constraint were prepared. Modification of the beta-alanine 3-substituent produced compounds that are potent and selective alpha(v)beta(3) antagonists and exhibit a range of physicochemical properties. aid9347.table aid9347.tbin
9348 1 Title: 4-Amino cyclohexylglycine analogues as potent dipeptidyl peptidase IV inhibitors. Abstract: Substituted 4-amino cyclohexylglycine analogues were evaluated for DP-IV inhibitory properties. Bis-sulfonamide 15e was an extremely potent 2.6 nM inhibitor of the enzyme with excellent selectivity over all counterscreens. 2,4-difluorobenzenesulfonamide 15b and 1-naphthyl amide 16b, however, combined an acceptable in vitro profile with good pharmacokinetic properties in the rat, and 15b was orally ... aid9348.table aid9348.tbin
9349 1 Title: Modification of the pyridine moiety of non-peptidyl indole GnRH receptor antagonists. Abstract: The synthesis of a number of indole GnRH antagonists is described. Oxidation of the pyridine ring nitrogen, combined with alkylation at the two position, led to a compound with an excellent in vitro activity profile as well as oral bioavailability in both rats and dogs. aid9349.table aid9349.tbin
9350 5 Title: Non-peptide alpha(v)beta(3) antagonists. Part 5: identification of potent RGD mimetics incorporating 2-aryl beta-amino acids as aspartic acid replacements. Abstract: A series of novel, highly potent alpha(v)beta(3) receptor antagonists with favorable pharmacokinetic profiles has been identified. In this series of antagonists, 2-aryl beta-amino acids function as potent aspartic acid replacements. aid9350.table aid9350.tbin
9351 2 Title: HIV protease inhibitors with picomolar potency against PI-Resistant HIV-1 by extension of the P3 substituent. Abstract: A biaryl pyridylfuran P(3) substituent on the hydroxyethylene isostere scaffold affords HIV protease inhibitors (PI's) with picomolar (IC(50)) potency against the protease enzymes from PI-resistant HIV-1 strains. Inclusion of a gem-dimethyl substituent afforded compound 3 with 100% oral bioavailability (dogs) and more than double the t(1/2) of indinavir. Inhibition of mu... aid9351.table aid9351.tbin
9352 1 Title: HIV protease inhibitors with picomolar potency against PI-Resistant HIV-1 by extension of the P3 substituent. Abstract: A biaryl pyridylfuran P(3) substituent on the hydroxyethylene isostere scaffold affords HIV protease inhibitors (PI's) with picomolar (IC(50)) potency against the protease enzymes from PI-resistant HIV-1 strains. Inclusion of a gem-dimethyl substituent afforded compound 3 with 100% oral bioavailability (dogs) and more than double the t(1/2) of indinavir. Inhibition of mu... aid9352.table aid9352.tbin
9353 2 Title: HIV protease inhibitors with picomolar potency against PI-Resistant HIV-1 by extension of the P3 substituent. Abstract: A biaryl pyridylfuran P(3) substituent on the hydroxyethylene isostere scaffold affords HIV protease inhibitors (PI's) with picomolar (IC(50)) potency against the protease enzymes from PI-resistant HIV-1 strains. Inclusion of a gem-dimethyl substituent afforded compound 3 with 100% oral bioavailability (dogs) and more than double the t(1/2) of indinavir. Inhibition of mu... aid9353.table aid9353.tbin
9354 2 Title: Synthesis, antiviral activity and pharmacokinetics of P1/P1' substituted 3-aminoindazole cyclic urea HIV protease inhibitors. Abstract: A series of P1/P1' substituted cyclic urea analogues were prepared in an attempt to increase the intra-cellular antiviral potency of the nonsymmetrical 3-aminoindazoles DMP 850 and DMP 851. The effect of alkyl substitution of the P1/P1' residues on cellular antiviral potency, protein binding, resistance profile and pharmacokinetics are described. aid9354.table aid9354.tbin
9355 1 Title: Synthesis and biological results of the technetium-99m-labeled 4-nitroimidazole for imaging tumor hypoxia. Abstract: 1-(4-Nitroimidazole-1-yl)-propanhydroxyiminoamide (N4IPA) was synthesized. The biodistribution of 99mTc-N4IPA in mice bearing S180 tumor demonstrated that the complex showed accumulation in tumor and slow clearance from it. The tumor-to-tissue uptake ratios increase with time. These results suggest that 99mTc-N4IPA would be a marker for imaging tumor hypoxia. aid9355.table aid9355.tbin
9356 1 Title: Synthesis and biological results of the technetium-99m-labeled 4-nitroimidazole for imaging tumor hypoxia. Abstract: 1-(4-Nitroimidazole-1-yl)-propanhydroxyiminoamide (N4IPA) was synthesized. The biodistribution of 99mTc-N4IPA in mice bearing S180 tumor demonstrated that the complex showed accumulation in tumor and slow clearance from it. The tumor-to-tissue uptake ratios increase with time. These results suggest that 99mTc-N4IPA would be a marker for imaging tumor hypoxia. aid9356.table aid9356.tbin
9357 1 Title: Synthesis and biological results of the technetium-99m-labeled 4-nitroimidazole for imaging tumor hypoxia. Abstract: 1-(4-Nitroimidazole-1-yl)-propanhydroxyiminoamide (N4IPA) was synthesized. The biodistribution of 99mTc-N4IPA in mice bearing S180 tumor demonstrated that the complex showed accumulation in tumor and slow clearance from it. The tumor-to-tissue uptake ratios increase with time. These results suggest that 99mTc-N4IPA would be a marker for imaging tumor hypoxia. aid9357.table aid9357.tbin
9358 1 Title: Synthesis and biological results of the technetium-99m-labeled 4-nitroimidazole for imaging tumor hypoxia. Abstract: 1-(4-Nitroimidazole-1-yl)-propanhydroxyiminoamide (N4IPA) was synthesized. The biodistribution of 99mTc-N4IPA in mice bearing S180 tumor demonstrated that the complex showed accumulation in tumor and slow clearance from it. The tumor-to-tissue uptake ratios increase with time. These results suggest that 99mTc-N4IPA would be a marker for imaging tumor hypoxia. aid9358.table aid9358.tbin
9359 1 Title: Synthesis and biological results of the technetium-99m-labeled 4-nitroimidazole for imaging tumor hypoxia. Abstract: 1-(4-Nitroimidazole-1-yl)-propanhydroxyiminoamide (N4IPA) was synthesized. The biodistribution of 99mTc-N4IPA in mice bearing S180 tumor demonstrated that the complex showed accumulation in tumor and slow clearance from it. The tumor-to-tissue uptake ratios increase with time. These results suggest that 99mTc-N4IPA would be a marker for imaging tumor hypoxia. aid9359.table aid9359.tbin
9360 1 Title: Synthesis and biological results of the technetium-99m-labeled 4-nitroimidazole for imaging tumor hypoxia. Abstract: 1-(4-Nitroimidazole-1-yl)-propanhydroxyiminoamide (N4IPA) was synthesized. The biodistribution of 99mTc-N4IPA in mice bearing S180 tumor demonstrated that the complex showed accumulation in tumor and slow clearance from it. The tumor-to-tissue uptake ratios increase with time. These results suggest that 99mTc-N4IPA would be a marker for imaging tumor hypoxia. aid9360.table aid9360.tbin
9361 1 Title: Synthesis and biological results of the technetium-99m-labeled 4-nitroimidazole for imaging tumor hypoxia. Abstract: 1-(4-Nitroimidazole-1-yl)-propanhydroxyiminoamide (N4IPA) was synthesized. The biodistribution of 99mTc-N4IPA in mice bearing S180 tumor demonstrated that the complex showed accumulation in tumor and slow clearance from it. The tumor-to-tissue uptake ratios increase with time. These results suggest that 99mTc-N4IPA would be a marker for imaging tumor hypoxia. aid9361.table aid9361.tbin
9362 1 Title: Synthesis and biological results of the technetium-99m-labeled 4-nitroimidazole for imaging tumor hypoxia. Abstract: 1-(4-Nitroimidazole-1-yl)-propanhydroxyiminoamide (N4IPA) was synthesized. The biodistribution of 99mTc-N4IPA in mice bearing S180 tumor demonstrated that the complex showed accumulation in tumor and slow clearance from it. The tumor-to-tissue uptake ratios increase with time. These results suggest that 99mTc-N4IPA would be a marker for imaging tumor hypoxia. aid9362.table aid9362.tbin
9363 1 Title: Synthesis and biological results of the technetium-99m-labeled 4-nitroimidazole for imaging tumor hypoxia. Abstract: 1-(4-Nitroimidazole-1-yl)-propanhydroxyiminoamide (N4IPA) was synthesized. The biodistribution of 99mTc-N4IPA in mice bearing S180 tumor demonstrated that the complex showed accumulation in tumor and slow clearance from it. The tumor-to-tissue uptake ratios increase with time. These results suggest that 99mTc-N4IPA would be a marker for imaging tumor hypoxia. aid9363.table aid9363.tbin
9364 1 Title: Synthesis and biological results of the technetium-99m-labeled 4-nitroimidazole for imaging tumor hypoxia. Abstract: 1-(4-Nitroimidazole-1-yl)-propanhydroxyiminoamide (N4IPA) was synthesized. The biodistribution of 99mTc-N4IPA in mice bearing S180 tumor demonstrated that the complex showed accumulation in tumor and slow clearance from it. The tumor-to-tissue uptake ratios increase with time. These results suggest that 99mTc-N4IPA would be a marker for imaging tumor hypoxia. aid9364.table aid9364.tbin
9365 1 Title: Synthesis and biological results of the technetium-99m-labeled 4-nitroimidazole for imaging tumor hypoxia. Abstract: 1-(4-Nitroimidazole-1-yl)-propanhydroxyiminoamide (N4IPA) was synthesized. The biodistribution of 99mTc-N4IPA in mice bearing S180 tumor demonstrated that the complex showed accumulation in tumor and slow clearance from it. The tumor-to-tissue uptake ratios increase with time. These results suggest that 99mTc-N4IPA would be a marker for imaging tumor hypoxia. aid9365.table aid9365.tbin
9366 1 Title: Synthesis and biological results of the technetium-99m-labeled 4-nitroimidazole for imaging tumor hypoxia. Abstract: 1-(4-Nitroimidazole-1-yl)-propanhydroxyiminoamide (N4IPA) was synthesized. The biodistribution of 99mTc-N4IPA in mice bearing S180 tumor demonstrated that the complex showed accumulation in tumor and slow clearance from it. The tumor-to-tissue uptake ratios increase with time. These results suggest that 99mTc-N4IPA would be a marker for imaging tumor hypoxia. aid9366.table aid9366.tbin
9367 1 Title: Synthesis and biological results of the technetium-99m-labeled 4-nitroimidazole for imaging tumor hypoxia. Abstract: 1-(4-Nitroimidazole-1-yl)-propanhydroxyiminoamide (N4IPA) was synthesized. The biodistribution of 99mTc-N4IPA in mice bearing S180 tumor demonstrated that the complex showed accumulation in tumor and slow clearance from it. The tumor-to-tissue uptake ratios increase with time. These results suggest that 99mTc-N4IPA would be a marker for imaging tumor hypoxia. aid9367.table aid9367.tbin
9368 1 Title: Synthesis and biological results of the technetium-99m-labeled 4-nitroimidazole for imaging tumor hypoxia. Abstract: 1-(4-Nitroimidazole-1-yl)-propanhydroxyiminoamide (N4IPA) was synthesized. The biodistribution of 99mTc-N4IPA in mice bearing S180 tumor demonstrated that the complex showed accumulation in tumor and slow clearance from it. The tumor-to-tissue uptake ratios increase with time. These results suggest that 99mTc-N4IPA would be a marker for imaging tumor hypoxia. aid9368.table aid9368.tbin
9369 1 Title: Synthesis and biological results of the technetium-99m-labeled 4-nitroimidazole for imaging tumor hypoxia. Abstract: 1-(4-Nitroimidazole-1-yl)-propanhydroxyiminoamide (N4IPA) was synthesized. The biodistribution of 99mTc-N4IPA in mice bearing S180 tumor demonstrated that the complex showed accumulation in tumor and slow clearance from it. The tumor-to-tissue uptake ratios increase with time. These results suggest that 99mTc-N4IPA would be a marker for imaging tumor hypoxia. aid9369.table aid9369.tbin
9370 1 Title: Synthesis and biological results of the technetium-99m-labeled 4-nitroimidazole for imaging tumor hypoxia. Abstract: 1-(4-Nitroimidazole-1-yl)-propanhydroxyiminoamide (N4IPA) was synthesized. The biodistribution of 99mTc-N4IPA in mice bearing S180 tumor demonstrated that the complex showed accumulation in tumor and slow clearance from it. The tumor-to-tissue uptake ratios increase with time. These results suggest that 99mTc-N4IPA would be a marker for imaging tumor hypoxia. aid9370.table aid9370.tbin
9371 1 Title: Synthesis and biological results of the technetium-99m-labeled 4-nitroimidazole for imaging tumor hypoxia. Abstract: 1-(4-Nitroimidazole-1-yl)-propanhydroxyiminoamide (N4IPA) was synthesized. The biodistribution of 99mTc-N4IPA in mice bearing S180 tumor demonstrated that the complex showed accumulation in tumor and slow clearance from it. The tumor-to-tissue uptake ratios increase with time. These results suggest that 99mTc-N4IPA would be a marker for imaging tumor hypoxia. aid9371.table aid9371.tbin
9372 1 Title: Synthesis and biological results of the technetium-99m-labeled 4-nitroimidazole for imaging tumor hypoxia. Abstract: 1-(4-Nitroimidazole-1-yl)-propanhydroxyiminoamide (N4IPA) was synthesized. The biodistribution of 99mTc-N4IPA in mice bearing S180 tumor demonstrated that the complex showed accumulation in tumor and slow clearance from it. The tumor-to-tissue uptake ratios increase with time. These results suggest that 99mTc-N4IPA would be a marker for imaging tumor hypoxia. aid9372.table aid9372.tbin
9373 1 Title: Synthesis and biological results of the technetium-99m-labeled 4-nitroimidazole for imaging tumor hypoxia. Abstract: 1-(4-Nitroimidazole-1-yl)-propanhydroxyiminoamide (N4IPA) was synthesized. The biodistribution of 99mTc-N4IPA in mice bearing S180 tumor demonstrated that the complex showed accumulation in tumor and slow clearance from it. The tumor-to-tissue uptake ratios increase with time. These results suggest that 99mTc-N4IPA would be a marker for imaging tumor hypoxia. aid9373.table aid9373.tbin
9374 1 Title: Synthesis and biological results of the technetium-99m-labeled 4-nitroimidazole for imaging tumor hypoxia. Abstract: 1-(4-Nitroimidazole-1-yl)-propanhydroxyiminoamide (N4IPA) was synthesized. The biodistribution of 99mTc-N4IPA in mice bearing S180 tumor demonstrated that the complex showed accumulation in tumor and slow clearance from it. The tumor-to-tissue uptake ratios increase with time. These results suggest that 99mTc-N4IPA would be a marker for imaging tumor hypoxia. aid9374.table aid9374.tbin
9375 1 Title: Synthesis and biological results of the technetium-99m-labeled 4-nitroimidazole for imaging tumor hypoxia. Abstract: 1-(4-Nitroimidazole-1-yl)-propanhydroxyiminoamide (N4IPA) was synthesized. The biodistribution of 99mTc-N4IPA in mice bearing S180 tumor demonstrated that the complex showed accumulation in tumor and slow clearance from it. The tumor-to-tissue uptake ratios increase with time. These results suggest that 99mTc-N4IPA would be a marker for imaging tumor hypoxia. aid9375.table aid9375.tbin
9376 1 Title: Synthesis and biological results of the technetium-99m-labeled 4-nitroimidazole for imaging tumor hypoxia. Abstract: 1-(4-Nitroimidazole-1-yl)-propanhydroxyiminoamide (N4IPA) was synthesized. The biodistribution of 99mTc-N4IPA in mice bearing S180 tumor demonstrated that the complex showed accumulation in tumor and slow clearance from it. The tumor-to-tissue uptake ratios increase with time. These results suggest that 99mTc-N4IPA would be a marker for imaging tumor hypoxia. aid9376.table aid9376.tbin
9377 1 Title: Synthesis and biological results of the technetium-99m-labeled 4-nitroimidazole for imaging tumor hypoxia. Abstract: 1-(4-Nitroimidazole-1-yl)-propanhydroxyiminoamide (N4IPA) was synthesized. The biodistribution of 99mTc-N4IPA in mice bearing S180 tumor demonstrated that the complex showed accumulation in tumor and slow clearance from it. The tumor-to-tissue uptake ratios increase with time. These results suggest that 99mTc-N4IPA would be a marker for imaging tumor hypoxia. aid9377.table aid9377.tbin
9378 1 Title: Synthesis and biological results of the technetium-99m-labeled 4-nitroimidazole for imaging tumor hypoxia. Abstract: 1-(4-Nitroimidazole-1-yl)-propanhydroxyiminoamide (N4IPA) was synthesized. The biodistribution of 99mTc-N4IPA in mice bearing S180 tumor demonstrated that the complex showed accumulation in tumor and slow clearance from it. The tumor-to-tissue uptake ratios increase with time. These results suggest that 99mTc-N4IPA would be a marker for imaging tumor hypoxia. aid9378.table aid9378.tbin
9379 1 Title: Synthesis and biological results of the technetium-99m-labeled 4-nitroimidazole for imaging tumor hypoxia. Abstract: 1-(4-Nitroimidazole-1-yl)-propanhydroxyiminoamide (N4IPA) was synthesized. The biodistribution of 99mTc-N4IPA in mice bearing S180 tumor demonstrated that the complex showed accumulation in tumor and slow clearance from it. The tumor-to-tissue uptake ratios increase with time. These results suggest that 99mTc-N4IPA would be a marker for imaging tumor hypoxia. aid9379.table aid9379.tbin
9380 1 Title: Synthesis and biological results of the technetium-99m-labeled 4-nitroimidazole for imaging tumor hypoxia. Abstract: 1-(4-Nitroimidazole-1-yl)-propanhydroxyiminoamide (N4IPA) was synthesized. The biodistribution of 99mTc-N4IPA in mice bearing S180 tumor demonstrated that the complex showed accumulation in tumor and slow clearance from it. The tumor-to-tissue uptake ratios increase with time. These results suggest that 99mTc-N4IPA would be a marker for imaging tumor hypoxia. aid9380.table aid9380.tbin
9381 1 Title: Synthesis and biological results of the technetium-99m-labeled 4-nitroimidazole for imaging tumor hypoxia. Abstract: 1-(4-Nitroimidazole-1-yl)-propanhydroxyiminoamide (N4IPA) was synthesized. The biodistribution of 99mTc-N4IPA in mice bearing S180 tumor demonstrated that the complex showed accumulation in tumor and slow clearance from it. The tumor-to-tissue uptake ratios increase with time. These results suggest that 99mTc-N4IPA would be a marker for imaging tumor hypoxia. aid9381.table aid9381.tbin
9382 1 Title: Synthesis and biological results of the technetium-99m-labeled 4-nitroimidazole for imaging tumor hypoxia. Abstract: 1-(4-Nitroimidazole-1-yl)-propanhydroxyiminoamide (N4IPA) was synthesized. The biodistribution of 99mTc-N4IPA in mice bearing S180 tumor demonstrated that the complex showed accumulation in tumor and slow clearance from it. The tumor-to-tissue uptake ratios increase with time. These results suggest that 99mTc-N4IPA would be a marker for imaging tumor hypoxia. aid9382.table aid9382.tbin
9383 1 Title: Synthesis and biological results of the technetium-99m-labeled 4-nitroimidazole for imaging tumor hypoxia. Abstract: 1-(4-Nitroimidazole-1-yl)-propanhydroxyiminoamide (N4IPA) was synthesized. The biodistribution of 99mTc-N4IPA in mice bearing S180 tumor demonstrated that the complex showed accumulation in tumor and slow clearance from it. The tumor-to-tissue uptake ratios increase with time. These results suggest that 99mTc-N4IPA would be a marker for imaging tumor hypoxia. aid9383.table aid9383.tbin
9384 1 Title: Synthesis and biological results of the technetium-99m-labeled 4-nitroimidazole for imaging tumor hypoxia. Abstract: 1-(4-Nitroimidazole-1-yl)-propanhydroxyiminoamide (N4IPA) was synthesized. The biodistribution of 99mTc-N4IPA in mice bearing S180 tumor demonstrated that the complex showed accumulation in tumor and slow clearance from it. The tumor-to-tissue uptake ratios increase with time. These results suggest that 99mTc-N4IPA would be a marker for imaging tumor hypoxia. aid9384.table aid9384.tbin
9385 1 Title: Synthesis and biological results of the technetium-99m-labeled 4-nitroimidazole for imaging tumor hypoxia. Abstract: 1-(4-Nitroimidazole-1-yl)-propanhydroxyiminoamide (N4IPA) was synthesized. The biodistribution of 99mTc-N4IPA in mice bearing S180 tumor demonstrated that the complex showed accumulation in tumor and slow clearance from it. The tumor-to-tissue uptake ratios increase with time. These results suggest that 99mTc-N4IPA would be a marker for imaging tumor hypoxia. aid9385.table aid9385.tbin
9386 1 Title: Synthesis and biological results of the technetium-99m-labeled 4-nitroimidazole for imaging tumor hypoxia. Abstract: 1-(4-Nitroimidazole-1-yl)-propanhydroxyiminoamide (N4IPA) was synthesized. The biodistribution of 99mTc-N4IPA in mice bearing S180 tumor demonstrated that the complex showed accumulation in tumor and slow clearance from it. The tumor-to-tissue uptake ratios increase with time. These results suggest that 99mTc-N4IPA would be a marker for imaging tumor hypoxia. aid9386.table aid9386.tbin
9387 1 Title: Synthesis and biological results of the technetium-99m-labeled 4-nitroimidazole for imaging tumor hypoxia. Abstract: 1-(4-Nitroimidazole-1-yl)-propanhydroxyiminoamide (N4IPA) was synthesized. The biodistribution of 99mTc-N4IPA in mice bearing S180 tumor demonstrated that the complex showed accumulation in tumor and slow clearance from it. The tumor-to-tissue uptake ratios increase with time. These results suggest that 99mTc-N4IPA would be a marker for imaging tumor hypoxia. aid9387.table aid9387.tbin
9388 1 Title: Synthesis and biological results of the technetium-99m-labeled 4-nitroimidazole for imaging tumor hypoxia. Abstract: 1-(4-Nitroimidazole-1-yl)-propanhydroxyiminoamide (N4IPA) was synthesized. The biodistribution of 99mTc-N4IPA in mice bearing S180 tumor demonstrated that the complex showed accumulation in tumor and slow clearance from it. The tumor-to-tissue uptake ratios increase with time. These results suggest that 99mTc-N4IPA would be a marker for imaging tumor hypoxia. aid9388.table aid9388.tbin
9389 1 Title: Synthesis and biological results of the technetium-99m-labeled 4-nitroimidazole for imaging tumor hypoxia. Abstract: 1-(4-Nitroimidazole-1-yl)-propanhydroxyiminoamide (N4IPA) was synthesized. The biodistribution of 99mTc-N4IPA in mice bearing S180 tumor demonstrated that the complex showed accumulation in tumor and slow clearance from it. The tumor-to-tissue uptake ratios increase with time. These results suggest that 99mTc-N4IPA would be a marker for imaging tumor hypoxia. aid9389.table aid9389.tbin
9390 1 Title: Synthesis and biological results of the technetium-99m-labeled 4-nitroimidazole for imaging tumor hypoxia. Abstract: 1-(4-Nitroimidazole-1-yl)-propanhydroxyiminoamide (N4IPA) was synthesized. The biodistribution of 99mTc-N4IPA in mice bearing S180 tumor demonstrated that the complex showed accumulation in tumor and slow clearance from it. The tumor-to-tissue uptake ratios increase with time. These results suggest that 99mTc-N4IPA would be a marker for imaging tumor hypoxia. aid9390.table aid9390.tbin
9391 1 Title: Synthesis and biological results of the technetium-99m-labeled 4-nitroimidazole for imaging tumor hypoxia. Abstract: 1-(4-Nitroimidazole-1-yl)-propanhydroxyiminoamide (N4IPA) was synthesized. The biodistribution of 99mTc-N4IPA in mice bearing S180 tumor demonstrated that the complex showed accumulation in tumor and slow clearance from it. The tumor-to-tissue uptake ratios increase with time. These results suggest that 99mTc-N4IPA would be a marker for imaging tumor hypoxia. aid9391.table aid9391.tbin
9392 1 Title: Synthesis and biological results of the technetium-99m-labeled 4-nitroimidazole for imaging tumor hypoxia. Abstract: 1-(4-Nitroimidazole-1-yl)-propanhydroxyiminoamide (N4IPA) was synthesized. The biodistribution of 99mTc-N4IPA in mice bearing S180 tumor demonstrated that the complex showed accumulation in tumor and slow clearance from it. The tumor-to-tissue uptake ratios increase with time. These results suggest that 99mTc-N4IPA would be a marker for imaging tumor hypoxia. aid9392.table aid9392.tbin
9393 1 Title: Synthesis and biological results of the technetium-99m-labeled 4-nitroimidazole for imaging tumor hypoxia. Abstract: 1-(4-Nitroimidazole-1-yl)-propanhydroxyiminoamide (N4IPA) was synthesized. The biodistribution of 99mTc-N4IPA in mice bearing S180 tumor demonstrated that the complex showed accumulation in tumor and slow clearance from it. The tumor-to-tissue uptake ratios increase with time. These results suggest that 99mTc-N4IPA would be a marker for imaging tumor hypoxia. aid9393.table aid9393.tbin
9394 1 Title: Synthesis and biological results of the technetium-99m-labeled 4-nitroimidazole for imaging tumor hypoxia. Abstract: 1-(4-Nitroimidazole-1-yl)-propanhydroxyiminoamide (N4IPA) was synthesized. The biodistribution of 99mTc-N4IPA in mice bearing S180 tumor demonstrated that the complex showed accumulation in tumor and slow clearance from it. The tumor-to-tissue uptake ratios increase with time. These results suggest that 99mTc-N4IPA would be a marker for imaging tumor hypoxia. aid9394.table aid9394.tbin
9395 1 Title: Synthesis and biological results of the technetium-99m-labeled 4-nitroimidazole for imaging tumor hypoxia. Abstract: 1-(4-Nitroimidazole-1-yl)-propanhydroxyiminoamide (N4IPA) was synthesized. The biodistribution of 99mTc-N4IPA in mice bearing S180 tumor demonstrated that the complex showed accumulation in tumor and slow clearance from it. The tumor-to-tissue uptake ratios increase with time. These results suggest that 99mTc-N4IPA would be a marker for imaging tumor hypoxia. aid9395.table aid9395.tbin
9396 1 Title: Synthesis and biological results of the technetium-99m-labeled 4-nitroimidazole for imaging tumor hypoxia. Abstract: 1-(4-Nitroimidazole-1-yl)-propanhydroxyiminoamide (N4IPA) was synthesized. The biodistribution of 99mTc-N4IPA in mice bearing S180 tumor demonstrated that the complex showed accumulation in tumor and slow clearance from it. The tumor-to-tissue uptake ratios increase with time. These results suggest that 99mTc-N4IPA would be a marker for imaging tumor hypoxia. aid9396.table aid9396.tbin
9397 1 Title: Synthesis and biological results of the technetium-99m-labeled 4-nitroimidazole for imaging tumor hypoxia. Abstract: 1-(4-Nitroimidazole-1-yl)-propanhydroxyiminoamide (N4IPA) was synthesized. The biodistribution of 99mTc-N4IPA in mice bearing S180 tumor demonstrated that the complex showed accumulation in tumor and slow clearance from it. The tumor-to-tissue uptake ratios increase with time. These results suggest that 99mTc-N4IPA would be a marker for imaging tumor hypoxia. aid9397.table aid9397.tbin
9398 1 Title: Synthesis and biological results of the technetium-99m-labeled 4-nitroimidazole for imaging tumor hypoxia. Abstract: 1-(4-Nitroimidazole-1-yl)-propanhydroxyiminoamide (N4IPA) was synthesized. The biodistribution of 99mTc-N4IPA in mice bearing S180 tumor demonstrated that the complex showed accumulation in tumor and slow clearance from it. The tumor-to-tissue uptake ratios increase with time. These results suggest that 99mTc-N4IPA would be a marker for imaging tumor hypoxia. aid9398.table aid9398.tbin
9399 1 Title: Structure-function studies of amphiphilic antibacterial peptides. Abstract: The synthesis of 11 peptides, ranging in composition from 9 to 17 amino acid residues, by solid-phase methodology was accomplished with the purpose of studying how the amphiphilic and hydrophobic character, the size of the molecule, and the charge distribution modulate the antibacterial activity. It was found that peptides composed of 16 and 17 amino acid residues, with high hydrophobic (mainly due to Trp or Phe) ... aid9399.table aid9399.tbin
9400 1 Title: Structure-function studies of amphiphilic antibacterial peptides. Abstract: The synthesis of 11 peptides, ranging in composition from 9 to 17 amino acid residues, by solid-phase methodology was accomplished with the purpose of studying how the amphiphilic and hydrophobic character, the size of the molecule, and the charge distribution modulate the antibacterial activity. It was found that peptides composed of 16 and 17 amino acid residues, with high hydrophobic (mainly due to Trp or Phe) ... aid9400.table aid9400.tbin
9401 1 Title: Structure-function studies of amphiphilic antibacterial peptides. Abstract: The synthesis of 11 peptides, ranging in composition from 9 to 17 amino acid residues, by solid-phase methodology was accomplished with the purpose of studying how the amphiphilic and hydrophobic character, the size of the molecule, and the charge distribution modulate the antibacterial activity. It was found that peptides composed of 16 and 17 amino acid residues, with high hydrophobic (mainly due to Trp or Phe) ... aid9401.table aid9401.tbin
9402 2 Title: Structure-function studies of amphiphilic antibacterial peptides. Abstract: The synthesis of 11 peptides, ranging in composition from 9 to 17 amino acid residues, by solid-phase methodology was accomplished with the purpose of studying how the amphiphilic and hydrophobic character, the size of the molecule, and the charge distribution modulate the antibacterial activity. It was found that peptides composed of 16 and 17 amino acid residues, with high hydrophobic (mainly due to Trp or Phe) ... aid9402.table aid9402.tbin
9403 1 Title: Synthesis and antibacterial activity of thiazolo-, oxazolo-, and imidazolo[3,2-a][1,8]naphthyridinecarboxylic acids. Abstract: It is known that thiazolo[3,2-a][1,8]naphthyridine derivatives (3a) exhibit good antibacterial activity. Accordingly, several analogues of 3a, viz. oxazolo- and imidazolo[3,2-a][1,8]naphthyridine derivatives 3b and 3c, were synthesized and evaluated for antibacterial activity in vitro and for inhibitory activity against DNA gyrase of Escherichia coli K-12 C600. Co... aid9403.table aid9403.tbin
9404 5 Title: Peptide science: exploring the use of chemical principles and interdisciplinary collaboration for understanding life processes. aid9404.table aid9404.tbin
9405 8 Title: Peptide science: exploring the use of chemical principles and interdisciplinary collaboration for understanding life processes. aid9405.table aid9405.tbin
9406 1 Title: The in vitro dental plaque inhibitory properties of a series of N-[1-alkyl-4(1H)-pyridinylidene]alkylamines. Abstract: A series of novel N-[1-alkyl-4(1H)-pyridinylidene]alkylamine hydrohalides has been prepared and evaluated as inhibitors of dental plaque formation, in vitro. Several members of the series exhibited potency ca. 9-fold greater than that of chlorhexidine vs Streptococcus sobrinus 6715-13. The di-n-octyl analogue, 11 (pirtenidine), was found to be highly efficacious against s... aid9406.table aid9406.tbin
9407 1 Title: The in vitro dental plaque inhibitory properties of a series of N-[1-alkyl-4(1H)-pyridinylidene]alkylamines. Abstract: A series of novel N-[1-alkyl-4(1H)-pyridinylidene]alkylamine hydrohalides has been prepared and evaluated as inhibitors of dental plaque formation, in vitro. Several members of the series exhibited potency ca. 9-fold greater than that of chlorhexidine vs Streptococcus sobrinus 6715-13. The di-n-octyl analogue, 11 (pirtenidine), was found to be highly efficacious against s... aid9407.table aid9407.tbin
9408 1 Title: The in vitro dental plaque inhibitory properties of a series of N-[1-alkyl-4(1H)-pyridinylidene]alkylamines. Abstract: A series of novel N-[1-alkyl-4(1H)-pyridinylidene]alkylamine hydrohalides has been prepared and evaluated as inhibitors of dental plaque formation, in vitro. Several members of the series exhibited potency ca. 9-fold greater than that of chlorhexidine vs Streptococcus sobrinus 6715-13. The di-n-octyl analogue, 11 (pirtenidine), was found to be highly efficacious against s... aid9408.table aid9408.tbin
9409 1 Title: The in vitro dental plaque inhibitory properties of a series of N-[1-alkyl-4(1H)-pyridinylidene]alkylamines. Abstract: A series of novel N-[1-alkyl-4(1H)-pyridinylidene]alkylamine hydrohalides has been prepared and evaluated as inhibitors of dental plaque formation, in vitro. Several members of the series exhibited potency ca. 9-fold greater than that of chlorhexidine vs Streptococcus sobrinus 6715-13. The di-n-octyl analogue, 11 (pirtenidine), was found to be highly efficacious against s... aid9409.table aid9409.tbin
9410 1 Title: The in vitro dental plaque inhibitory properties of a series of N-[1-alkyl-4(1H)-pyridinylidene]alkylamines. Abstract: A series of novel N-[1-alkyl-4(1H)-pyridinylidene]alkylamine hydrohalides has been prepared and evaluated as inhibitors of dental plaque formation, in vitro. Several members of the series exhibited potency ca. 9-fold greater than that of chlorhexidine vs Streptococcus sobrinus 6715-13. The di-n-octyl analogue, 11 (pirtenidine), was found to be highly efficacious against s... aid9410.table aid9410.tbin
9411 1 Title: The in vitro dental plaque inhibitory properties of a series of N-[1-alkyl-4(1H)-pyridinylidene]alkylamines. Abstract: A series of novel N-[1-alkyl-4(1H)-pyridinylidene]alkylamine hydrohalides has been prepared and evaluated as inhibitors of dental plaque formation, in vitro. Several members of the series exhibited potency ca. 9-fold greater than that of chlorhexidine vs Streptococcus sobrinus 6715-13. The di-n-octyl analogue, 11 (pirtenidine), was found to be highly efficacious against s... aid9411.table aid9411.tbin
9412 1 Title: The in vitro dental plaque inhibitory properties of a series of N-[1-alkyl-4(1H)-pyridinylidene]alkylamines. Abstract: A series of novel N-[1-alkyl-4(1H)-pyridinylidene]alkylamine hydrohalides has been prepared and evaluated as inhibitors of dental plaque formation, in vitro. Several members of the series exhibited potency ca. 9-fold greater than that of chlorhexidine vs Streptococcus sobrinus 6715-13. The di-n-octyl analogue, 11 (pirtenidine), was found to be highly efficacious against s... aid9412.table aid9412.tbin
9413 1 Title: The in vitro dental plaque inhibitory properties of a series of N-[1-alkyl-4(1H)-pyridinylidene]alkylamines. Abstract: A series of novel N-[1-alkyl-4(1H)-pyridinylidene]alkylamine hydrohalides has been prepared and evaluated as inhibitors of dental plaque formation, in vitro. Several members of the series exhibited potency ca. 9-fold greater than that of chlorhexidine vs Streptococcus sobrinus 6715-13. The di-n-octyl analogue, 11 (pirtenidine), was found to be highly efficacious against s... aid9413.table aid9413.tbin
9414 8 Compound was tested for its inhibitory activity using brine shrimp (Artemia salina) immobilization assay aid9414.table aid9414.tbin
9415 1 Compound was tested for its inhibitory activity using brine shrimp (Artemia salina) immobilization assay; highest level tested, showed <100% activity aid9415.table aid9415.tbin
9416 1 Title: Synthesis and biological activity of a series of diaryl-substituted alpha-cyano-beta-hydroxypropenamides, a new class of anthelmintic agents. Abstract: A series of alpha-cyano-beta-hydroxypropenamides was prepared and tested for anthelmintic activity. alpha-Cyano-beta-hydroxy-N-[4- (trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]propenamide (1) showed good activity against the nematode Nematospirodes dubius in a mixed parasite infection in mice; several of the analogues were also ef... aid9416.table aid9416.tbin
9417 1 Title: Synthesis and biological activity of a series of diaryl-substituted alpha-cyano-beta-hydroxypropenamides, a new class of anthelmintic agents. Abstract: A series of alpha-cyano-beta-hydroxypropenamides was prepared and tested for anthelmintic activity. alpha-Cyano-beta-hydroxy-N-[4- (trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]propenamide (1) showed good activity against the nematode Nematospirodes dubius in a mixed parasite infection in mice; several of the analogues were also ef... aid9417.table aid9417.tbin
9418 1 Title: Synthesis and biological activity of a series of diaryl-substituted alpha-cyano-beta-hydroxypropenamides, a new class of anthelmintic agents. Abstract: A series of alpha-cyano-beta-hydroxypropenamides was prepared and tested for anthelmintic activity. alpha-Cyano-beta-hydroxy-N-[4- (trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]propenamide (1) showed good activity against the nematode Nematospirodes dubius in a mixed parasite infection in mice; several of the analogues were also ef... aid9418.table aid9418.tbin
9419 1 Title: Synthesis and biological activity of a series of diaryl-substituted alpha-cyano-beta-hydroxypropenamides, a new class of anthelmintic agents. Abstract: A series of alpha-cyano-beta-hydroxypropenamides was prepared and tested for anthelmintic activity. alpha-Cyano-beta-hydroxy-N-[4- (trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]propenamide (1) showed good activity against the nematode Nematospirodes dubius in a mixed parasite infection in mice; several of the analogues were also ef... aid9419.table aid9419.tbin
9420 1 Title: Synthesis and biological activity of a series of diaryl-substituted alpha-cyano-beta-hydroxypropenamides, a new class of anthelmintic agents. Abstract: A series of alpha-cyano-beta-hydroxypropenamides was prepared and tested for anthelmintic activity. alpha-Cyano-beta-hydroxy-N-[4- (trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]propenamide (1) showed good activity against the nematode Nematospirodes dubius in a mixed parasite infection in mice; several of the analogues were also ef... aid9420.table aid9420.tbin
9421 1 Title: Synthesis and biological activity of a series of diaryl-substituted alpha-cyano-beta-hydroxypropenamides, a new class of anthelmintic agents. Abstract: A series of alpha-cyano-beta-hydroxypropenamides was prepared and tested for anthelmintic activity. alpha-Cyano-beta-hydroxy-N-[4- (trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]propenamide (1) showed good activity against the nematode Nematospirodes dubius in a mixed parasite infection in mice; several of the analogues were also ef... aid9421.table aid9421.tbin
9422 1 Title: Synthesis and biological activity of a series of diaryl-substituted alpha-cyano-beta-hydroxypropenamides, a new class of anthelmintic agents. Abstract: A series of alpha-cyano-beta-hydroxypropenamides was prepared and tested for anthelmintic activity. alpha-Cyano-beta-hydroxy-N-[4- (trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]propenamide (1) showed good activity against the nematode Nematospirodes dubius in a mixed parasite infection in mice; several of the analogues were also ef... aid9422.table aid9422.tbin
9423 1 Title: Synthesis and biological activity of a series of diaryl-substituted alpha-cyano-beta-hydroxypropenamides, a new class of anthelmintic agents. Abstract: A series of alpha-cyano-beta-hydroxypropenamides was prepared and tested for anthelmintic activity. alpha-Cyano-beta-hydroxy-N-[4- (trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]propenamide (1) showed good activity against the nematode Nematospirodes dubius in a mixed parasite infection in mice; several of the analogues were also ef... aid9423.table aid9423.tbin
9424 1 Title: Synthesis and biological activity of a series of diaryl-substituted alpha-cyano-beta-hydroxypropenamides, a new class of anthelmintic agents. Abstract: A series of alpha-cyano-beta-hydroxypropenamides was prepared and tested for anthelmintic activity. alpha-Cyano-beta-hydroxy-N-[4- (trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]propenamide (1) showed good activity against the nematode Nematospirodes dubius in a mixed parasite infection in mice; several of the analogues were also ef... aid9424.table aid9424.tbin
9425 1 Title: Synthesis and biological activity of a series of diaryl-substituted alpha-cyano-beta-hydroxypropenamides, a new class of anthelmintic agents. Abstract: A series of alpha-cyano-beta-hydroxypropenamides was prepared and tested for anthelmintic activity. alpha-Cyano-beta-hydroxy-N-[4- (trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]propenamide (1) showed good activity against the nematode Nematospirodes dubius in a mixed parasite infection in mice; several of the analogues were also ef... aid9425.table aid9425.tbin
9426 1 Title: Synthesis and biological activity of a series of diaryl-substituted alpha-cyano-beta-hydroxypropenamides, a new class of anthelmintic agents. Abstract: A series of alpha-cyano-beta-hydroxypropenamides was prepared and tested for anthelmintic activity. alpha-Cyano-beta-hydroxy-N-[4- (trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]propenamide (1) showed good activity against the nematode Nematospirodes dubius in a mixed parasite infection in mice; several of the analogues were also ef... aid9426.table aid9426.tbin
9427 1 Title: Synthesis and biological activity of a series of diaryl-substituted alpha-cyano-beta-hydroxypropenamides, a new class of anthelmintic agents. Abstract: A series of alpha-cyano-beta-hydroxypropenamides was prepared and tested for anthelmintic activity. alpha-Cyano-beta-hydroxy-N-[4- (trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]propenamide (1) showed good activity against the nematode Nematospirodes dubius in a mixed parasite infection in mice; several of the analogues were also ef... aid9427.table aid9427.tbin
9428 1 Title: Bispyridinamines: a new class of topical antimicrobial agents as inhibitors of dental plaque. Abstract: A series of N,N'-polyalkylenebis[4-(substituted-amino)pyridines] has been prepared, and members have been evaluated as potential anti-dental plaque agents. From among the most active members of the series, one compound, N,N'-[1,10-decanediyldi-1(4H)-pyridinyl-4-ylidene]bis(1-octanam ine) dihydrochloride, octenidine, was selected as a candidate for clinical study. aid9428.table aid9428.tbin
9429 13 Title: Bispyridinamines: a new class of topical antimicrobial agents as inhibitors of dental plaque. Abstract: A series of N,N'-polyalkylenebis[4-(substituted-amino)pyridines] has been prepared, and members have been evaluated as potential anti-dental plaque agents. From among the most active members of the series, one compound, N,N'-[1,10-decanediyldi-1(4H)-pyridinyl-4-ylidene]bis(1-octanam ine) dihydrochloride, octenidine, was selected as a candidate for clinical study. aid9429.table aid9429.tbin
9430 1 Title: The in vitro dental plaque inhibitory properties of a series of N-[1-alkyl-4(1H)-pyridinylidene]alkylamines. Abstract: A series of novel N-[1-alkyl-4(1H)-pyridinylidene]alkylamine hydrohalides has been prepared and evaluated as inhibitors of dental plaque formation, in vitro. Several members of the series exhibited potency ca. 9-fold greater than that of chlorhexidine vs Streptococcus sobrinus 6715-13. The di-n-octyl analogue, 11 (pirtenidine), was found to be highly efficacious against s... aid9430.table aid9430.tbin
9431 24 Title: The in vitro dental plaque inhibitory properties of a series of N-[1-alkyl-4(1H)-pyridinylidene]alkylamines. Abstract: A series of novel N-[1-alkyl-4(1H)-pyridinylidene]alkylamine hydrohalides has been prepared and evaluated as inhibitors of dental plaque formation, in vitro. Several members of the series exhibited potency ca. 9-fold greater than that of chlorhexidine vs Streptococcus sobrinus 6715-13. The di-n-octyl analogue, 11 (pirtenidine), was found to be highly efficacious against s... aid9431.table aid9431.tbin
9432 1 Title: The in vitro dental plaque inhibitory properties of a series of N-[1-alkyl-4(1H)-pyridinylidene]alkylamines. Abstract: A series of novel N-[1-alkyl-4(1H)-pyridinylidene]alkylamine hydrohalides has been prepared and evaluated as inhibitors of dental plaque formation, in vitro. Several members of the series exhibited potency ca. 9-fold greater than that of chlorhexidine vs Streptococcus sobrinus 6715-13. The di-n-octyl analogue, 11 (pirtenidine), was found to be highly efficacious against s... aid9432.table aid9432.tbin
9433 1 Title: The in vitro dental plaque inhibitory properties of a series of N-[1-alkyl-4(1H)-pyridinylidene]alkylamines. Abstract: A series of novel N-[1-alkyl-4(1H)-pyridinylidene]alkylamine hydrohalides has been prepared and evaluated as inhibitors of dental plaque formation, in vitro. Several members of the series exhibited potency ca. 9-fold greater than that of chlorhexidine vs Streptococcus sobrinus 6715-13. The di-n-octyl analogue, 11 (pirtenidine), was found to be highly efficacious against s... aid9433.table aid9433.tbin
9434 1 Title: The in vitro dental plaque inhibitory properties of a series of N-[1-alkyl-4(1H)-pyridinylidene]alkylamines. Abstract: A series of novel N-[1-alkyl-4(1H)-pyridinylidene]alkylamine hydrohalides has been prepared and evaluated as inhibitors of dental plaque formation, in vitro. Several members of the series exhibited potency ca. 9-fold greater than that of chlorhexidine vs Streptococcus sobrinus 6715-13. The di-n-octyl analogue, 11 (pirtenidine), was found to be highly efficacious against s... aid9434.table aid9434.tbin
9435 1 Title: The in vitro dental plaque inhibitory properties of a series of N-[1-alkyl-4(1H)-pyridinylidene]alkylamines. Abstract: A series of novel N-[1-alkyl-4(1H)-pyridinylidene]alkylamine hydrohalides has been prepared and evaluated as inhibitors of dental plaque formation, in vitro. Several members of the series exhibited potency ca. 9-fold greater than that of chlorhexidine vs Streptococcus sobrinus 6715-13. The di-n-octyl analogue, 11 (pirtenidine), was found to be highly efficacious against s... aid9435.table aid9435.tbin
9436 25 Title: The in vitro dental plaque inhibitory properties of a series of N-[1-alkyl-4(1H)-pyridinylidene]alkylamines. Abstract: A series of novel N-[1-alkyl-4(1H)-pyridinylidene]alkylamine hydrohalides has been prepared and evaluated as inhibitors of dental plaque formation, in vitro. Several members of the series exhibited potency ca. 9-fold greater than that of chlorhexidine vs Streptococcus sobrinus 6715-13. The di-n-octyl analogue, 11 (pirtenidine), was found to be highly efficacious against s... aid9436.table aid9436.tbin
9437 2 Title: The in vitro dental plaque inhibitory properties of a series of N-[1-alkyl-4(1H)-pyridinylidene]alkylamines. Abstract: A series of novel N-[1-alkyl-4(1H)-pyridinylidene]alkylamine hydrohalides has been prepared and evaluated as inhibitors of dental plaque formation, in vitro. Several members of the series exhibited potency ca. 9-fold greater than that of chlorhexidine vs Streptococcus sobrinus 6715-13. The di-n-octyl analogue, 11 (pirtenidine), was found to be highly efficacious against s... aid9437.table aid9437.tbin
9438 1 Title: The in vitro dental plaque inhibitory properties of a series of N-[1-alkyl-4(1H)-pyridinylidene]alkylamines. Abstract: A series of novel N-[1-alkyl-4(1H)-pyridinylidene]alkylamine hydrohalides has been prepared and evaluated as inhibitors of dental plaque formation, in vitro. Several members of the series exhibited potency ca. 9-fold greater than that of chlorhexidine vs Streptococcus sobrinus 6715-13. The di-n-octyl analogue, 11 (pirtenidine), was found to be highly efficacious against s... aid9438.table aid9438.tbin
9439 1 Title: The in vitro dental plaque inhibitory properties of a series of N-[1-alkyl-4(1H)-pyridinylidene]alkylamines. Abstract: A series of novel N-[1-alkyl-4(1H)-pyridinylidene]alkylamine hydrohalides has been prepared and evaluated as inhibitors of dental plaque formation, in vitro. Several members of the series exhibited potency ca. 9-fold greater than that of chlorhexidine vs Streptococcus sobrinus 6715-13. The di-n-octyl analogue, 11 (pirtenidine), was found to be highly efficacious against s... aid9439.table aid9439.tbin
9440 1 Title: The in vitro dental plaque inhibitory properties of a series of N-[1-alkyl-4(1H)-pyridinylidene]alkylamines. Abstract: A series of novel N-[1-alkyl-4(1H)-pyridinylidene]alkylamine hydrohalides has been prepared and evaluated as inhibitors of dental plaque formation, in vitro. Several members of the series exhibited potency ca. 9-fold greater than that of chlorhexidine vs Streptococcus sobrinus 6715-13. The di-n-octyl analogue, 11 (pirtenidine), was found to be highly efficacious against s... aid9440.table aid9440.tbin
9441 2 Title: 2-acetylpyridine thiosemicarbazones. 13. Derivatives with antifilarial activity. Abstract: Several members of a series of 2-acetylpyridine thiosemicarbazones possess in vivo and in vitro macrofilaricidal properties. The most promising of the group tested is N4-(2-aminophenyl)-2-[1-(2-pyridinyl)ethylidene]-hydrazinecarbothioam ide (4), which suppressed 100% of the macrofilariae of Brugia pahangi and 94% of those of Acanthocheilonema viteae in the jird at a dose of 25 mg/kg per day x 5. Com... aid9441.table aid9441.tbin
9442 11 Title: 2-acetylpyridine thiosemicarbazones. 13. Derivatives with antifilarial activity. Abstract: Several members of a series of 2-acetylpyridine thiosemicarbazones possess in vivo and in vitro macrofilaricidal properties. The most promising of the group tested is N4-(2-aminophenyl)-2-[1-(2-pyridinyl)ethylidene]-hydrazinecarbothioam ide (4), which suppressed 100% of the macrofilariae of Brugia pahangi and 94% of those of Acanthocheilonema viteae in the jird at a dose of 25 mg/kg per day x 5. Com... aid9442.table aid9442.tbin
9443 8 Title: 2-acetylpyridine thiosemicarbazones. 13. Derivatives with antifilarial activity. Abstract: Several members of a series of 2-acetylpyridine thiosemicarbazones possess in vivo and in vitro macrofilaricidal properties. The most promising of the group tested is N4-(2-aminophenyl)-2-[1-(2-pyridinyl)ethylidene]-hydrazinecarbothioam ide (4), which suppressed 100% of the macrofilariae of Brugia pahangi and 94% of those of Acanthocheilonema viteae in the jird at a dose of 25 mg/kg per day x 5. Com... aid9443.table aid9443.tbin
9444 2 Title: 2-acetylpyridine thiosemicarbazones. 13. Derivatives with antifilarial activity. Abstract: Several members of a series of 2-acetylpyridine thiosemicarbazones possess in vivo and in vitro macrofilaricidal properties. The most promising of the group tested is N4-(2-aminophenyl)-2-[1-(2-pyridinyl)ethylidene]-hydrazinecarbothioam ide (4), which suppressed 100% of the macrofilariae of Brugia pahangi and 94% of those of Acanthocheilonema viteae in the jird at a dose of 25 mg/kg per day x 5. Com... aid9444.table aid9444.tbin
9445 9 Title: 2-acetylpyridine thiosemicarbazones. 13. Derivatives with antifilarial activity. Abstract: Several members of a series of 2-acetylpyridine thiosemicarbazones possess in vivo and in vitro macrofilaricidal properties. The most promising of the group tested is N4-(2-aminophenyl)-2-[1-(2-pyridinyl)ethylidene]-hydrazinecarbothioam ide (4), which suppressed 100% of the macrofilariae of Brugia pahangi and 94% of those of Acanthocheilonema viteae in the jird at a dose of 25 mg/kg per day x 5. Com... aid9445.table aid9445.tbin
9446 7 Title: 1,3-Dialkyl-3-acyltriazenes, a novel class of antineoplastic alkylating agents. Abstract: Aliphatic triazenes, such as 1,3-dimethyltriazene, are potent biological alkylating agents because they form alkyldiazonium ions. They are also subject to very rapid proteolytic decomposition, even at physiological pH. The acylated analogues 1,3-dialkyl-3-acyltrizenes are much more stable in aqueous solution, but they also give rise to alkyldiazonium ions. Four acylated 1,3-dimethyltriazenes, where t... aid9446.table aid9446.tbin
9447 8 Title: 1,3-Dialkyl-3-acyltriazenes, a novel class of antineoplastic alkylating agents. Abstract: Aliphatic triazenes, such as 1,3-dimethyltriazene, are potent biological alkylating agents because they form alkyldiazonium ions. They are also subject to very rapid proteolytic decomposition, even at physiological pH. The acylated analogues 1,3-dialkyl-3-acyltrizenes are much more stable in aqueous solution, but they also give rise to alkyldiazonium ions. Four acylated 1,3-dimethyltriazenes, where t... aid9447.table aid9447.tbin
9448 1 Tested for inhibition of ET-1 induced phosphoinositide (PI) turnover in A7r5 smooth muscle cells aid9448.table aid9448.tbin
9449 8 Title: Synthesis and biological characterization of 1,4,5,6-tetrahydropyrimidine and 2-amino-3,4,5,6-tetrahydropyridine derivatives as selective m1 agonists. Abstract: Previous studies identified several novel tetrahydropyrimidine derivatives exhibiting muscarinic agonist activity in rat brain. Such compounds might be useful in treating cognitive and memory deficits associated with low acetylcholine levels, as found in Alzheimer's disease. To determine the molecular features of ligands important... aid9449.table aid9449.tbin
9450 8 Title: Synthesis and biological characterization of 1,4,5,6-tetrahydropyrimidine and 2-amino-3,4,5,6-tetrahydropyridine derivatives as selective m1 agonists. Abstract: Previous studies identified several novel tetrahydropyrimidine derivatives exhibiting muscarinic agonist activity in rat brain. Such compounds might be useful in treating cognitive and memory deficits associated with low acetylcholine levels, as found in Alzheimer's disease. To determine the molecular features of ligands important... aid9450.table aid9450.tbin
9451 4 Title: Antitumor agents. Part 215: antitubulin effects of cytotoxic B-ring modified allocolchicinoids. Abstract: N-Acetylcolchinol methyl ether 1 served as the starting material to prepare the chloroacetamide (3) and epoxide (5) analogues. Both 3 and 5 were potent inhibitors of tubulin polymerization in vitro. Compound 3 was also 4-fold more cytotoxic than colchicine against the 1A9 tumor cell line and showed a unique cross-resistance profile. aid9451.table aid9451.tbin
9452 1 Title: Antitumor agents. Part 215: antitubulin effects of cytotoxic B-ring modified allocolchicinoids. Abstract: N-Acetylcolchinol methyl ether 1 served as the starting material to prepare the chloroacetamide (3) and epoxide (5) analogues. Both 3 and 5 were potent inhibitors of tubulin polymerization in vitro. Compound 3 was also 4-fold more cytotoxic than colchicine against the 1A9 tumor cell line and showed a unique cross-resistance profile. aid9452.table aid9452.tbin
9453 8 Title: 3-(3,5-Dimethoxyphenyl)-1,6-naphthyridine-2,7-diamines and related 2-urea derivatives are potent and selective inhibitors of the FGF receptor-1 tyrosine kinase. Abstract: A series of 3-aryl-1,6-naphthyridine-2,7-diamines and related 2-ureas were prepared and evaluated as inhibitors of the FGF receptor-1 tyrosine kinase. Condensation of 4,6-diaminonicotinaldehyde and substituted phenylacetonitriles gave intermediate naphthyridine-2,7-diamines, and direct reaction of the monoanion of these ... aid9453.table aid9453.tbin
9454 16 Title: Functionally selective M1 muscarinic agonists. 3. Side chains and azacycles contributing to functional muscarinic selectivity among pyrazinylazacycles. Abstract: In an attempt to improve upon the M1 agonist activity of the selective M1 agonist xanomeline and related compounds, the M1 muscarinic efficacies and potencies of 3- and 6-substituted pyrazinylazacycles were varied by changing both the 3- and 6-substituents as well as the azacycle. Significant improvements in efficacy and potency ... aid9454.table aid9454.tbin
9455 26 Title: Functionally selective M1 muscarinic agonists. 3. Side chains and azacycles contributing to functional muscarinic selectivity among pyrazinylazacycles. Abstract: In an attempt to improve upon the M1 agonist activity of the selective M1 agonist xanomeline and related compounds, the M1 muscarinic efficacies and potencies of 3- and 6-substituted pyrazinylazacycles were varied by changing both the 3- and 6-substituents as well as the azacycle. Significant improvements in efficacy and potency ... aid9455.table aid9455.tbin
9456 20 Title: Muscarinic receptor binding and activation of second messengers by substituted N-methyl-N-[4-(1-azacycloalkyl)-2-butynyl]acetamides. Abstract: A series of substituted azacycloalkyl analogues of the muscarinic agonist UH 5 (N-methyl-N-[4-(1-pyrrolidinyl)-2-butynyl]acetamide, 1a) were synthesized and evaluated pharmacologically. These compounds were developed as intermediates for further derivatization leading to functionalized congeners of 1a. The compounds were synthesized by using a Mann... aid9456.table aid9456.tbin
9457 3 Title: Muscarinic receptor binding and activation of second messengers by substituted N-methyl-N-[4-(1-azacycloalkyl)-2-butynyl]acetamides. Abstract: A series of substituted azacycloalkyl analogues of the muscarinic agonist UH 5 (N-methyl-N-[4-(1-pyrrolidinyl)-2-butynyl]acetamide, 1a) were synthesized and evaluated pharmacologically. These compounds were developed as intermediates for further derivatization leading to functionalized congeners of 1a. The compounds were synthesized by using a Mann... aid9457.table aid9457.tbin
9458 8 Title: Muscarinic receptor binding and activation of second messengers by substituted N-methyl-N-[4-(1-azacycloalkyl)-2-butynyl]acetamides. Abstract: A series of substituted azacycloalkyl analogues of the muscarinic agonist UH 5 (N-methyl-N-[4-(1-pyrrolidinyl)-2-butynyl]acetamide, 1a) were synthesized and evaluated pharmacologically. These compounds were developed as intermediates for further derivatization leading to functionalized congeners of 1a. The compounds were synthesized by using a Mann... aid9458.table aid9458.tbin
9459 28 Title: Muscarinic receptor binding and activation of second messengers by substituted N-methyl-N-[4-(1-azacycloalkyl)-2-butynyl]acetamides. Abstract: A series of substituted azacycloalkyl analogues of the muscarinic agonist UH 5 (N-methyl-N-[4-(1-pyrrolidinyl)-2-butynyl]acetamide, 1a) were synthesized and evaluated pharmacologically. These compounds were developed as intermediates for further derivatization leading to functionalized congeners of 1a. The compounds were synthesized by using a Mann... aid9459.table aid9459.tbin
9460 1 Title: Muscarinic receptor binding and activation of second messengers by substituted N-methyl-N-[4-(1-azacycloalkyl)-2-butynyl]acetamides. Abstract: A series of substituted azacycloalkyl analogues of the muscarinic agonist UH 5 (N-methyl-N-[4-(1-pyrrolidinyl)-2-butynyl]acetamide, 1a) were synthesized and evaluated pharmacologically. These compounds were developed as intermediates for further derivatization leading to functionalized congeners of 1a. The compounds were synthesized by using a Mann... aid9460.table aid9460.tbin
9461 2 Title: Muscarinic receptor binding and activation of second messengers by substituted N-methyl-N-[4-(1-azacycloalkyl)-2-butynyl]acetamides. Abstract: A series of substituted azacycloalkyl analogues of the muscarinic agonist UH 5 (N-methyl-N-[4-(1-pyrrolidinyl)-2-butynyl]acetamide, 1a) were synthesized and evaluated pharmacologically. These compounds were developed as intermediates for further derivatization leading to functionalized congeners of 1a. The compounds were synthesized by using a Mann... aid9461.table aid9461.tbin
9462 2 Title: Synthesis and biological evaluation of 6-amino-1H-pyrrolo[3,2-c]pyridin-4(5H)-one (3,7-dideazaguanine). Abstract: The synthesis of 6-amino-1H-pyrrolo[3,2-c]pyridin-4(5H)-one (3,7-dideazaguanine, 2) has been accomplished from 3-(ethoxycarbonyl)pyrrole-2-acetonitrile. In contrast to 3-deazaguanine, compound 2 did not show any antitumor, antiviral, or antibacterial properties. Furthermore, it was not a substrate for hypoxanthine-guanine phosphoribosyltransferase or purine nucleoside phosphor... aid9462.table aid9462.tbin
9463 1 Title: 6-N-Acyltriciribine analogues: structure-activity relationship between acyl carbon chain length and activity against HIV-1. Abstract: Triciribine (TCN) and triciribine-5'-monophosphate (TCN-P) are active against HIV-1 at submicromolar concentrations. In an effort to improve and better understand this activity, we have conducted a structure-activity relationship study to explore the tolerance of TCN to structural modifications at the 6-position. A number of 6-N-acyltriciribine analogues we... aid9463.table aid9463.tbin
9464 1 Title: 6-N-Acyltriciribine analogues: structure-activity relationship between acyl carbon chain length and activity against HIV-1. Abstract: Triciribine (TCN) and triciribine-5'-monophosphate (TCN-P) are active against HIV-1 at submicromolar concentrations. In an effort to improve and better understand this activity, we have conducted a structure-activity relationship study to explore the tolerance of TCN to structural modifications at the 6-position. A number of 6-N-acyltriciribine analogues we... aid9464.table aid9464.tbin
9465 1 Title: Anti-HIV michellamines from Ancistrocladus korupensis. Abstract: Here we report details of the isolation and determination of the absolute configurations and comparative anti-HIV activities of novel, atropisomeric naphthylisoquinoline alkaloid dimers, michellamines A, B, and C, from a newly described species of Ancistrocladus from the Korup rainforest of Cameroon. We further provide a more extensive analysis of the range of anti-HIV activity of michellamine B, the most potent and abundant... aid9465.table aid9465.tbin
9466 1 Title: Anti-HIV michellamines from Ancistrocladus korupensis. Abstract: Here we report details of the isolation and determination of the absolute configurations and comparative anti-HIV activities of novel, atropisomeric naphthylisoquinoline alkaloid dimers, michellamines A, B, and C, from a newly described species of Ancistrocladus from the Korup rainforest of Cameroon. We further provide a more extensive analysis of the range of anti-HIV activity of michellamine B, the most potent and abundant... aid9466.table aid9466.tbin
9467 1 Title: In vitro anti-human immunodeficiency virus (HIV) activity of the chromanone derivative, 12-oxocalanolide A, a novel NNRTI. Abstract: The three chromanone derivatives, (+)-, (-)-, and (+/-)-12-oxocalanolide A (2), were evaluated for in vitro antiviral activities against HIV and simian immunodeficiency virus (SIV). The compounds were determined to be inhibitors of HIV-1 reverse transcriptase (RT) and exhibited activity against a variety of viruses selected for resistance to other HIV-1 nonn... aid9467.table aid9467.tbin
9468 1 Title: In vitro anti-human immunodeficiency virus (HIV) activity of the chromanone derivative, 12-oxocalanolide A, a novel NNRTI. Abstract: The three chromanone derivatives, (+)-, (-)-, and (+/-)-12-oxocalanolide A (2), were evaluated for in vitro antiviral activities against HIV and simian immunodeficiency virus (SIV). The compounds were determined to be inhibitors of HIV-1 reverse transcriptase (RT) and exhibited activity against a variety of viruses selected for resistance to other HIV-1 nonn... aid9468.table aid9468.tbin
9469 7 Title: Synthesis and evaluation of DNA-targeted spatially separated bis(aniline mustards) as potential alkylating agents with enhanced DNA cross-linking capability. Abstract: DNA-targeted separated bis-mustards were synthesized by attaching aniline mono-mustards at the 4- and 9-positions of the DNA-intercalating ligand 9-aminoacridine-4-carboxamide, with the intention of improving the low cross-link to monoadduct ratio found with most alkylating agents. The geometry of these compounds requires t... aid9469.table aid9469.tbin
9470 14 Title: DNA-directed alkylating agents. 4. 4-anilinoquinoline-based minor groove directed aniline mustards. Abstract: A series of 4-anilinoquinoline-linked aniline mustards of widely varying mustard reactivity were prepared and evaluated for their antitumor activity. The compounds were designed as minor grove binding agents, where the aniline mustard ring is itself part of the DNA-binding ligand. While there was a general trend for cytotoxicity to correlate with mustard reactivity, this was much ... aid9470.table aid9470.tbin
9471 1 Title: Hypoxia-selective antitumor agents. 8. Bis(nitroimidazolyl)alkanecarboxamides: a new class of hypoxia-selective cytotoxins and hypoxic cell radiosensitisers. Abstract: A series of novel bis(nitroimidazolyl)alkanecarboxamides has been prepared and evaluated for hypoxia-selective cytotoxicity and hypoxic cell radiosensitisation in vitro and in vivo. The compounds were prepared by direct coupling of preformed side chain acid and amine components, using diethyl phosphorocyanidate at room temp... aid9471.table aid9471.tbin
9472 8 Title: Hypoxia-selective antitumor agents. 8. Bis(nitroimidazolyl)alkanecarboxamides: a new class of hypoxia-selective cytotoxins and hypoxic cell radiosensitisers. Abstract: A series of novel bis(nitroimidazolyl)alkanecarboxamides has been prepared and evaluated for hypoxia-selective cytotoxicity and hypoxic cell radiosensitisation in vitro and in vivo. The compounds were prepared by direct coupling of preformed side chain acid and amine components, using diethyl phosphorocyanidate at room temp... aid9472.table aid9472.tbin
9473 3 Title: Hypoxia-selective antitumor agents. 8. Bis(nitroimidazolyl)alkanecarboxamides: a new class of hypoxia-selective cytotoxins and hypoxic cell radiosensitisers. Abstract: A series of novel bis(nitroimidazolyl)alkanecarboxamides has been prepared and evaluated for hypoxia-selective cytotoxicity and hypoxic cell radiosensitisation in vitro and in vivo. The compounds were prepared by direct coupling of preformed side chain acid and amine components, using diethyl phosphorocyanidate at room temp... aid9473.table aid9473.tbin
9474 3 Title: Hypoxia-selective antitumor agents. 8. Bis(nitroimidazolyl)alkanecarboxamides: a new class of hypoxia-selective cytotoxins and hypoxic cell radiosensitisers. Abstract: A series of novel bis(nitroimidazolyl)alkanecarboxamides has been prepared and evaluated for hypoxia-selective cytotoxicity and hypoxic cell radiosensitisation in vitro and in vivo. The compounds were prepared by direct coupling of preformed side chain acid and amine components, using diethyl phosphorocyanidate at room temp... aid9474.table aid9474.tbin
9475 10 Title: Hypoxia-selective antitumor agents. 8. Bis(nitroimidazolyl)alkanecarboxamides: a new class of hypoxia-selective cytotoxins and hypoxic cell radiosensitisers. Abstract: A series of novel bis(nitroimidazolyl)alkanecarboxamides has been prepared and evaluated for hypoxia-selective cytotoxicity and hypoxic cell radiosensitisation in vitro and in vivo. The compounds were prepared by direct coupling of preformed side chain acid and amine components, using diethyl phosphorocyanidate at room temp... aid9475.table aid9475.tbin
9476 6 Title: Hypoxia-selective antitumor agents. 14. Synthesis and hypoxic cell cytotoxicity of regioisomers of the hypoxia-selective cytotoxin 5-[N,N-bis(2-chloroethyl)amino]-2,4-dinitrobenzamide. Abstract: A series of regioisomers of the novel hypoxia-selective cytotoxin (HSC) 5-[N,N-bis(2-chloroethyl)-amino]-2,4-dinitrobenzamide (2a) have been prepared by displacement of the chloro group from methyl chlorodinitrobenzoates or the corresponding carboxamides with diethanolamine, followed by dimesylati... aid9476.table aid9476.tbin
9477 14 Title: Hypoxia-selective antitumor agents. 13. Effects of acridine substitution on the hypoxia-selective cytotoxicity and metabolic reduction of the bis-bioreductive agent nitracrine N-oxide. Abstract: A series of nuclear-substituted derivatives of nitracrine N-oxide (2; a bis-bioreductive hypoxia-selective cytotoxin) were prepared and evaluated, seeking analogues of lower nitroacridine reduction potential. Disubstitution with Me or OMe groups at the 4- and 5-positions did not provide analogues ... aid9477.table aid9477.tbin
9478 4 Title: Hypoxia-selective antitumor agents. 11. Chlorambucil N-oxide: a reappraisal of its synthesis, stability, and selective toxicity for hypoxic cells. Abstract: The potential hypoxia-selective cytotoxin 4-[4'-[N,N-bis(2&quot;-chloroethyl)amino]phenyl]butanoic acid N-oxide (chlorambucil N-oxide, 4) was synthesized and characterized as its hydrochloride salt. This compound was shown to be unstable, decomposing in some organic solvents to the hydroxylamine 4-[4'-[N-(2&quot;-chloroethoxy)-N-(2&qu... aid9478.table aid9478.tbin
9479 1 Title: Hypoxia-selective antitumor agents. 8. Bis(nitroimidazolyl)alkanecarboxamides: a new class of hypoxia-selective cytotoxins and hypoxic cell radiosensitisers. Abstract: A series of novel bis(nitroimidazolyl)alkanecarboxamides has been prepared and evaluated for hypoxia-selective cytotoxicity and hypoxic cell radiosensitisation in vitro and in vivo. The compounds were prepared by direct coupling of preformed side chain acid and amine components, using diethyl phosphorocyanidate at room temp... aid9479.table aid9479.tbin
9480 10 Title: Hypoxia-selective antitumor agents. 8. Bis(nitroimidazolyl)alkanecarboxamides: a new class of hypoxia-selective cytotoxins and hypoxic cell radiosensitisers. Abstract: A series of novel bis(nitroimidazolyl)alkanecarboxamides has been prepared and evaluated for hypoxia-selective cytotoxicity and hypoxic cell radiosensitisation in vitro and in vivo. The compounds were prepared by direct coupling of preformed side chain acid and amine components, using diethyl phosphorocyanidate at room temp... aid9480.table aid9480.tbin
9481 3 Title: Hypoxia-selective antitumor agents. 8. Bis(nitroimidazolyl)alkanecarboxamides: a new class of hypoxia-selective cytotoxins and hypoxic cell radiosensitisers. Abstract: A series of novel bis(nitroimidazolyl)alkanecarboxamides has been prepared and evaluated for hypoxia-selective cytotoxicity and hypoxic cell radiosensitisation in vitro and in vivo. The compounds were prepared by direct coupling of preformed side chain acid and amine components, using diethyl phosphorocyanidate at room temp... aid9481.table aid9481.tbin
9482 20 Title: Hypoxia-selective antitumor agents. 10. bis(nitroimidazoles) and related Bis(nitroheterocycles): development of derivatives with higher rates of metabolic activation under hypoxia and improved aqueous solubility. Abstract: A series of analogues of the previously described compound N-[2-(2-methyl-5-nitroimidazol-1H-yl)ethyl]-4-(2-nitroimidazol- 1H-yl)butanamide (4), a novel hypoxic cell cytotoxin and radiosensitizer, have been prepared and evaluated for hypoxia-selective cytotoxicity and h... aid9482.table aid9482.tbin
9483 1 Title: Hypoxia-selective antitumor agents. 10. bis(nitroimidazoles) and related Bis(nitroheterocycles): development of derivatives with higher rates of metabolic activation under hypoxia and improved aqueous solubility. Abstract: A series of analogues of the previously described compound N-[2-(2-methyl-5-nitroimidazol-1H-yl)ethyl]-4-(2-nitroimidazol- 1H-yl)butanamide (4), a novel hypoxic cell cytotoxin and radiosensitizer, have been prepared and evaluated for hypoxia-selective cytotoxicity and h... aid9483.table aid9483.tbin
9484 22 Title: Hypoxia-selective antitumor agents. 15. Modification of rate of nitroreduction and extent of lysosomal uptake by polysubstitution of 4-(alkylamino)-5-nitroquinoline bioreductive drugs. Abstract: Studies have shown that 4-(alkylamino)-5-nitroquinolines possess high selectivity (20-60-fold) for hypoxic tumor cells in vitro, but are not active as hypoxia-selective cytotoxins (HSCs) in vivo. The compounds show inadequate rates of extravascular diffusion, likely due both to sequestration of th... aid9484.table aid9484.tbin
9485 1 Title: Hypoxia-selective antitumor agents. 15. Modification of rate of nitroreduction and extent of lysosomal uptake by polysubstitution of 4-(alkylamino)-5-nitroquinoline bioreductive drugs. Abstract: Studies have shown that 4-(alkylamino)-5-nitroquinolines possess high selectivity (20-60-fold) for hypoxic tumor cells in vitro, but are not active as hypoxia-selective cytotoxins (HSCs) in vivo. The compounds show inadequate rates of extravascular diffusion, likely due both to sequestration of th... aid9485.table aid9485.tbin
9486 24 Title: Hypoxia-selective antitumor agents. 9. Structure-activity relationships for hypoxia-selective cytotoxicity among analogues of 5-[N,N-bis(2-chloroethyl)amino]-2,4-dinitrobenzamide. Abstract: A series of analogues of the novel hypoxia-selective cytotoxin 5-[N,N-bis(2-chloroethyl)amino]-2,4-dinitrobenzamide (6) have been prepared and evaluated, in a search for compounds which retain high hypoxic selectivity but have increased potency and/or aqueous solubility. Several analogues with ionizabl... aid9486.table aid9486.tbin
9487 23 Title: Hypoxia-selective antitumor agents. 10. bis(nitroimidazoles) and related Bis(nitroheterocycles): development of derivatives with higher rates of metabolic activation under hypoxia and improved aqueous solubility. Abstract: A series of analogues of the previously described compound N-[2-(2-methyl-5-nitroimidazol-1H-yl)ethyl]-4-(2-nitroimidazol- 1H-yl)butanamide (4), a novel hypoxic cell cytotoxin and radiosensitizer, have been prepared and evaluated for hypoxia-selective cytotoxicity and h... aid9487.table aid9487.tbin
9488 22 Title: Hypoxia-selective antitumor agents. 12. Nitrobenzyl quaternary salts as bioreductive prodrugs of the alkylating agent mechlorethamine. Abstract: A series of benzene-substituted analogues of the novel hypoxia-selective cytotoxin N,N-bis(2-chloroethyl)-N-methyl-N-(2-nitrobenzyl)ammonium chloride (3a), together with three corresponding tetrahydroisoquinolinium &quot;cyclic&quot; analogues 21a-23a and two naphthalene derivatives (19a and 20a), have been prepared and evaluated for cytotoxicity... aid9488.table aid9488.tbin
9489 21 Title: Hypoxia-selective antitumor agents. 14. Synthesis and hypoxic cell cytotoxicity of regioisomers of the hypoxia-selective cytotoxin 5-[N,N-bis(2-chloroethyl)amino]-2,4-dinitrobenzamide. Abstract: A series of regioisomers of the novel hypoxia-selective cytotoxin (HSC) 5-[N,N-bis(2-chloroethyl)-amino]-2,4-dinitrobenzamide (2a) have been prepared by displacement of the chloro group from methyl chlorodinitrobenzoates or the corresponding carboxamides with diethanolamine, followed by dimesylati... aid9489.table aid9489.tbin
9490 3 Title: Synthesis, antiviral activity and pharmacokinetics of P1/P1' substituted 3-aminoindazole cyclic urea HIV protease inhibitors. Abstract: A series of P1/P1' substituted cyclic urea analogues were prepared in an attempt to increase the intra-cellular antiviral potency of the nonsymmetrical 3-aminoindazoles DMP 850 and DMP 851. The effect of alkyl substitution of the P1/P1' residues on cellular antiviral potency, protein binding, resistance profile and pharmacokinetics are described. aid9490.table aid9490.tbin
9491 1 Title: Acetylenic TACE inhibitors. Part 1. SAR of the acyclic sulfonamide hydroxamates. Abstract: The SAR of a series of potent sulfonamide hydroxamate TACE inhibitors, all bearing a butynyloxy P1' group, was explored. In particular, compound 5j has excellent in vitro potency against isolated TACE enzyme and in cells, good selectivity over MMP-1 and MMP-9, and oral activity in an in vivo model of TNF-alpha production and a collagen-induced arthritis model. aid9491.table aid9491.tbin
9492 3 Title: Pyridopyrimidine analogues as novel adenosine kinase inhibitors. Abstract: A novel series of pyridopyrimidine analogues 9 was identified as potent adenosine kinase inhibitors based on the SAR and computational studies. Substitution of the C7 position of the pyridopyrimidino core with C2' substituted pyridino moiety increased the in vivo potency and enhanced oral bioavailability of these adenosine kinase inhibitors. aid9492.table aid9492.tbin
9493 4 Title: Pyridopyrimidine analogues as novel adenosine kinase inhibitors. Abstract: A novel series of pyridopyrimidine analogues 9 was identified as potent adenosine kinase inhibitors based on the SAR and computational studies. Substitution of the C7 position of the pyridopyrimidino core with C2' substituted pyridino moiety increased the in vivo potency and enhanced oral bioavailability of these adenosine kinase inhibitors. aid9493.table aid9493.tbin
9494 2 Title: NR2B-selective N-methyl-D-aspartate antagonists: synthesis and evaluation of 5-substituted benzimidazoles. Abstract: Two classes of 5-substituted benzimidazoles were identified as potent antagonists of the NR2B subtype of the N-methyl-d-aspartate (NMDA) receptor. Selected compounds show very good selectivity versus the NR2A, NR2C, and NR2D subtypes of the NMDA receptor as well as versus hERG-channel activity and alpha(1)-adrenergic binding. Benzimidazole 37a shows excellent activity in th... aid9494.table aid9494.tbin
9495 1 Title: 2,4,5-Trisubstituted imidazoles: novel nontoxic modulators of P-glycoprotein mediated multidrug resistance. Part 2. Abstract: Solution-phase combinatorial chemistry was applied to the optimization and development of clinical candidate OC144-093 (22), a novel and nontoxic modulator of P-glycoprotein mediated multidrug resistance. aid9495.table aid9495.tbin
9496 3 Title: 2,4,5-Trisubstituted imidazoles: novel nontoxic modulators of P-glycoprotein mediated multidrug resistance. Part 2. Abstract: Solution-phase combinatorial chemistry was applied to the optimization and development of clinical candidate OC144-093 (22), a novel and nontoxic modulator of P-glycoprotein mediated multidrug resistance. aid9496.table aid9496.tbin
9497 2 Title: 1,3,4-Trisubstituted pyrrolidine CCR5 receptor antagonists. Part 4: synthesis of N-1 acidic functionality affording analogues with enhanced antiviral activity against HIV. Abstract: A series of alpha-(pyrrolidin-1-yl)acetic acids is presented as selective and potent antivirals against HIV. Several of the pyrrolidine zwitterions demonstrated reasonable in vitro properties, enhanced antiviral activities and improved pharmacokinetic profiles over pyrrolidine 1. aid9497.table aid9497.tbin
9498 3 Title: 3-Aminopyrrolidinone farnesyltransferase inhibitors: design of macrocyclic compounds with improved pharmacokinetics and excellent cell potency. Abstract: A series of macrocyclic 3-aminopyrrolidinone farnesyltransferase inhibitors (FTIs) has been synthesized. Compared with previously described linear 3-aminopyrrolidinone FTIs such as compound 1, macrocycles such as 49 combined improved pharmacokinetic properties with a reduced potential for side effects. In dogs, oral bioavailability was g... aid9498.table aid9498.tbin
9499 1 Title: 3-Aminopyrrolidinone farnesyltransferase inhibitors: design of macrocyclic compounds with improved pharmacokinetics and excellent cell potency. Abstract: A series of macrocyclic 3-aminopyrrolidinone farnesyltransferase inhibitors (FTIs) has been synthesized. Compared with previously described linear 3-aminopyrrolidinone FTIs such as compound 1, macrocycles such as 49 combined improved pharmacokinetic properties with a reduced potential for side effects. In dogs, oral bioavailability was g... aid9499.table aid9499.tbin
9500 1 Title: A simple stereoselective synthesis and biological evaluation of FR181157: orally active prostacyclin mimetic. Abstract: Synthetic method of a novel prostaglandin (PG) mimetic: FR181175 without PG skeleton are described. The key to success is creation of a chiral epoxide using Sharpless AD reaction with high ee yield. FR181157 shows high potency and agonist efficacy at the IP receptor and has good bioavailability. aid9500.table aid9500.tbin
9501 5 Title: Expedited discovery of second generation NK-1 antagonists: identification of a nonbasic aryloxy substituent. Abstract: Solution-phase, parallel-synthesis techniques were used to optimize a series of nonbasic NK-1 antagonists, resulting in the identification of (R)-26, an orally bioavailable compound with subnanomolar potency. aid9501.table aid9501.tbin
9502 4 Title: Bromobenzofuran-based non-peptide antagonists of angiotensin II: GR138950, a potent antihypertensive agent with high oral bioavailability. Abstract: We have identified GR138950, a potent antagonist of the angiotensin II receptor with high oral bioavailability, as our second drug candidate to GR117289. Using GR117289, a compound with moderate bioavailability (20%) in man as a lead, we pursued a strategy aimed at enhancing bioavailability. The strategy was based on SAR established around th... aid9502.table aid9502.tbin
9503 1 Title: Bromobenzofuran-based non-peptide antagonists of angiotensin II: GR138950, a potent antihypertensive agent with high oral bioavailability. Abstract: We have identified GR138950, a potent antagonist of the angiotensin II receptor with high oral bioavailability, as our second drug candidate to GR117289. Using GR117289, a compound with moderate bioavailability (20%) in man as a lead, we pursued a strategy aimed at enhancing bioavailability. The strategy was based on SAR established around th... aid9503.table aid9503.tbin
9504 2 Title: Amidinohydrazones as guanidine bioisosteres: application to a new class of potent, selective and orally bioavailable, non-amide-based small-molecule thrombin inhibitors. Abstract: We describe a new class of potent, non-amide-based small molecule thrombin inhibitors in which an amidinohydrazone is used as a guanidine bioisostere on a non-peptide scaffold. Compound 4 exhibits nM inhibition of thrombin, is selective for thrombin, and shows 60 and 23% bioavailability in rabbits and dogs, resp... aid9504.table aid9504.tbin
9505 3 Title: Human beta3-adrenergic receptor agonists containing 1,2,3-triazole-substituted benzenesulfonamides. Abstract: Compounds containing a 1,2,3-triazole-substituted benzenesulfonamide were prepared and found to be potent and selective human beta3-adrenergic receptor agonists. The most interesting compound, trifluoromethylbenzyl analogue 12e (beta3 EC50 = 3.1 nM with &gt;1500-fold selectivity over binding to both beta1- and beta2 receptors), stimulates lipolysis in the rhesus monkey (ED50 = 0.3... aid9505.table aid9505.tbin
9506 8 Title: Identification of potent and selective oxytocin antagonists. Part 1: indole and benzofuran derivatives. Abstract: Studies to discover novel, potent and selective oxytocin antagonists are reported. Combinatorial libraries designed to find novel replacements of fragments of oxytocin antagonist L-371,257, identified pyrimidine, thiazole, indole and benzofuran as potential alternatives to the benzoic acid moiety of L-371,257. Additional investigations identified indole and benzofuran derivati... aid9506.table aid9506.tbin
9507 1 Title: Platelet glycoprotein IIb-IIIa antagonists as prototypical integrin blockers: novel parenteral and potential oral antithrombotic agents. aid9507.table aid9507.tbin
9508 1 Title: Structure-based design, synthesis, and biological evaluation of irreversible human rhinovirus 3C protease inhibitors. 8. Pharmacological optimization of orally bioavailable 2-pyridone-containing peptidomimetics. Abstract: The optimization of the pharmacokinetic performance of various 2-pyridone-containing human rhinovirus (HRV) 3C protease (3CP) inhibitors following oral administration to either beagle dogs or CM-monkeys is described. The molecules described in this work are composed of a... aid9508.table aid9508.tbin
9509 6 Title: Structure-based design, synthesis, and biological evaluation of irreversible human rhinovirus 3C protease inhibitors. 8. Pharmacological optimization of orally bioavailable 2-pyridone-containing peptidomimetics. Abstract: The optimization of the pharmacokinetic performance of various 2-pyridone-containing human rhinovirus (HRV) 3C protease (3CP) inhibitors following oral administration to either beagle dogs or CM-monkeys is described. The molecules described in this work are composed of a... aid9509.table aid9509.tbin
9510 2 Title: Structure-based design, synthesis, and biological evaluation of irreversible human rhinovirus 3C protease inhibitors. 8. Pharmacological optimization of orally bioavailable 2-pyridone-containing peptidomimetics. Abstract: The optimization of the pharmacokinetic performance of various 2-pyridone-containing human rhinovirus (HRV) 3C protease (3CP) inhibitors following oral administration to either beagle dogs or CM-monkeys is described. The molecules described in this work are composed of a... aid9510.table aid9510.tbin
9511 6 Title: New active series of growth hormone secretagogues. Abstract: New growth hormone secretagogue (GHS) analogues were synthesized and evaluated for growth hormone releasing activity. This series derived from EP-51389 is based on a gem-diamino structure. Compounds that exhibited higher in vivo GH-releasing potency than hexarelin in rat (subcutaneous administration) were then tested per os in beagle dogs and for their binding affinity to human pituitary GHS receptors and to hGHS-R 1a. Compound ... aid9511.table aid9511.tbin
9512 1 Title: Synthesis and biological activity of peptidyl aldehyde urokinase inhibitors. Abstract: Solid- and solution-phase synthesis of peptidomimetic inhibitors of urokinase-type plasminogen activator based on the sequence dSerAlaArg-al are described. The biological activities of these unique inhibitors are reported herein. Carbonate prodrugs were prepared and tested as potential drug delivery systems. aid9512.table aid9512.tbin
9513 1 Title: Synthesis and SAR of benzyl and phenoxymethylene oxadiazole benzenesulfonamides as selective beta3 adrenergic receptor agonist antiobesity agents. Abstract: Benzyl and phenoxymethylene substituted oxadiazoles are potent and orally bioavailable beta3 adrenergic receptor (AR) agonists. The 4-trifluormethoxy substituted 5-benzyl oxadiazole 5f has an EC50 of 8 nM in the beta3 AR agonist assay with 100-fold selectivity over beta1 and beta2 AR binding inhibition activity. Its oral bioavailabili... aid9513.table aid9513.tbin
9514 1 Title: SAR in the alkoxy lactone series: the discovery of DFP, a potent and orally active COX-2 inhibitor. Abstract: Extensive SAR has been established in the alkoxy lactone series and this has lead to the discovery of DFP (5,5-dimethyl-3-(2-propoxy)-4-methanesulfonylphenyl)-2(5H)-furanon e), a potent COX-2 inhibitor exhibiting in vivo efficacy in all models studied. aid9514.table aid9514.tbin
9515 1 Title: Discovery of LB30057, a benzamidrazone-based selective oral thrombin inhibitor. Abstract: Systematic variation of the so-called P-pocket moiety of benzamidrazone-based selective thrombin inhibitors led to the discovery of LB30057. It is potent (Ki = 0.38 nM for human thrombin), selective (Ki = 3290 nM for bovine trypsin), and orally bioavailable (58% oral bioavailability in dogs). LB30057 was efficacious in thrombosis animal models. aid9515.table aid9515.tbin
9516 1 Title: Synthesis and SAR of benzyl and phenoxymethylene oxadiazole benzenesulfonamides as selective beta3 adrenergic receptor agonist antiobesity agents. Abstract: Benzyl and phenoxymethylene substituted oxadiazoles are potent and orally bioavailable beta3 adrenergic receptor (AR) agonists. The 4-trifluormethoxy substituted 5-benzyl oxadiazole 5f has an EC50 of 8 nM in the beta3 AR agonist assay with 100-fold selectivity over beta1 and beta2 AR binding inhibition activity. Its oral bioavailabili... aid9516.table aid9516.tbin
9517 1 Biodistribution of compound was measured in bile at 2 hr post-injection in canine deep vein thrombosis model (DVT) aid9517.table aid9517.tbin
9518 1 Biodistribution of compound was measured in heart at 2 hr post-injection in canine deep vein thrombosis model (DVT) aid9518.table aid9518.tbin
9519 1 Biodistribution of compound was measured in kidney at 2 hr post-injection in canine deep vein thrombosis model (DVT) aid9519.table aid9519.tbin
9520 1 Biodistribution of compound was measured in liver at 2 hr post-injection in canine deep vein thrombosis model (DVT) aid9520.table aid9520.tbin
9521 1 Biodistribution of compound was measured in lung at 2 hr post-injection in canine deep vein thrombosis model (DVT) aid9521.table aid9521.tbin
9522 1 Biodistribution of compound was measured in spleen at 2 hr post-injection in canine deep vein thrombosis model (DVT) aid9522.table aid9522.tbin
9523 2 Title: Amidinohydrazones as guanidine bioisosteres: application to a new class of potent, selective and orally bioavailable, non-amide-based small-molecule thrombin inhibitors. Abstract: We describe a new class of potent, non-amide-based small molecule thrombin inhibitors in which an amidinohydrazone is used as a guanidine bioisostere on a non-peptide scaffold. Compound 4 exhibits nM inhibition of thrombin, is selective for thrombin, and shows 60 and 23% bioavailability in rabbits and dogs, resp... aid9523.table aid9523.tbin
9524 23 Title: Pharmacokinetic optimization of 3-amino-6-chloropyrazinone acetamide thrombin inhibitors. Implementation of P3 pyridine N-oxides to deliver an orally bioavailable series containing P1 N-benzylamides. Abstract: In this manuscript we demonstrate that a modification principally directed toward the improvement of the aqueous solubility (i.e., introduction a P3 pyridine N-oxide) of the previous lead compound afforded a new series of potent orally bioavailable P1 N-benzylamide thrombin inhibito... aid9524.table aid9524.tbin
9525 4 Title: Pharmacokinetic optimization of 3-amino-6-chloropyrazinone acetamide thrombin inhibitors. Implementation of P3 pyridine N-oxides to deliver an orally bioavailable series containing P1 N-benzylamides. Abstract: In this manuscript we demonstrate that a modification principally directed toward the improvement of the aqueous solubility (i.e., introduction a P3 pyridine N-oxide) of the previous lead compound afforded a new series of potent orally bioavailable P1 N-benzylamide thrombin inhibito... aid9525.table aid9525.tbin
9526 1 Title: N-(cycloalkylamino)acyl-2-aminothiazole inhibitors of cyclin-dependent kinase 2. N-[5-[[[5-(1,1-dimethylethyl)-2-oxazolyl]methyl]thio]-2-thiazolyl]-4- piperidinecarboxamide (BMS-387032), a highly efficacious and selective antitumor agent. Abstract: N-Acyl-2-aminothiazoles with nonaromatic acyl side chains containing a basic amine were found to be potent, selective inhibitors of CDK2/cycE which exhibit antitumor activity in mice. In particular, compound 21 [N-[5-[[[5-(1,1-dimethylethyl)-2-... aid9526.table aid9526.tbin
9527 1 Title: Molecular design and structure--activity relationships leading to the potent, selective, and orally active thrombin active site inhibitor BMS-189664. Abstract: A series of structurally novel small molecule inhibitors of human alpha-thrombin was prepared to elucidate their structure-activity relationships (SARs), selectivity and activity in vivo. BMS-189664 (3) is identified as a potent, selective, and orally active reversible inhibitor of human alpha-thrombin which is efficacious in vivo ... aid9527.table aid9527.tbin
9528 7 Title: Muscarinic M(3) receptor antagonists with (2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxyphenylacetamide Structures. Part 2. Abstract: Optimization of the amine part of our original muscarinic M(3) receptor antagonist 1 was performed to identify M(3) receptor antagonists that are superior to 1. Compounds carrying a variety of diamine moieties without hydrophobic substituent on the nitrogen atom were screened against the binding affinity for the M(3) receptor and the selectivity for M(3) o... aid9528.table aid9528.tbin
9529 1 Title: Synthesis and biological activities of (R)-5,6-dihydro-N,N-dimethyl-4H-imidazo[4,5,1-ij]quinolin-5-amine and its metabolites. Abstract: The imidazoquinoline (R)-5,6-Dihydro-N,N-dimethyl-4H-imidazo[4,5,1-ij]quinolin-5-amine [(R)-3] is a potent dopamine agonist when tested in animals but surprisingly shows very low affinity in in vitro binding assays. When incubated with mouse or monkey liver S9 microsomes, (R)-3 is metabolized by N-demethylation and oxidation to (R)-5,6-dihydro-5-(methylam... aid9529.table aid9529.tbin
9530 1 Title: Synthesis and biological activities of (R)-5,6-dihydro-N,N-dimethyl-4H-imidazo[4,5,1-ij]quinolin-5-amine and its metabolites. Abstract: The imidazoquinoline (R)-5,6-Dihydro-N,N-dimethyl-4H-imidazo[4,5,1-ij]quinolin-5-amine [(R)-3] is a potent dopamine agonist when tested in animals but surprisingly shows very low affinity in in vitro binding assays. When incubated with mouse or monkey liver S9 microsomes, (R)-3 is metabolized by N-demethylation and oxidation to (R)-5,6-dihydro-5-(methylam... aid9530.table aid9530.tbin
9531 1 Title: Synthesis and biological activities of (R)-5,6-dihydro-N,N-dimethyl-4H-imidazo[4,5,1-ij]quinolin-5-amine and its metabolites. Abstract: The imidazoquinoline (R)-5,6-Dihydro-N,N-dimethyl-4H-imidazo[4,5,1-ij]quinolin-5-amine [(R)-3] is a potent dopamine agonist when tested in animals but surprisingly shows very low affinity in in vitro binding assays. When incubated with mouse or monkey liver S9 microsomes, (R)-3 is metabolized by N-demethylation and oxidation to (R)-5,6-dihydro-5-(methylam... aid9531.table aid9531.tbin
9532 2 Title: Oxyguanidines: application to non-peptidic phenyl-based thrombin inhibitors. Abstract: Although thrombin has been extensively researched with many examples of potent and selective inhibitors, the key characteristics of oral bioavailability and long half-life have been elusive. We report here a novel series non-peptidic phenyl-based, highly potent, highly selective and orally bioavailable thrombin inhibitors using oxyguanidines as guanidine-mimetics. aid9532.table aid9532.tbin
9533 1 Title: Discovery of an orally bioavailable alkyl oxadiazole beta3 adrenergic receptor agonist. Abstract: 5-n-Pentyl oxadiazole substituted benzenesulfonamide 8 is a potent and selective beta3 adrenergic receptor agonist (beta3 EC50 = 23 nM, beta1 IC50 = 3000 nM, beta2 IC50 = 3000 nM). The compound has high oral bioavailability in dogs (62%) and rats (36%) and is among the most orally bioavailable beta3 adrenergic receptor agonists reported to date. aid9533.table aid9533.tbin
9534 2 Title: 3-Pyridyloxypropanolamine agonists of the beta 3 adrenergic receptor with improved pharmacokinetic properties. Abstract: Pyridyloxypropanolamines L-749,372 (8, beta 3 EC50 = 3.6 nM) and L-750,355 (29, beta 3 EC50 = 13 nM) are selective partial agonists of the human receptor, with 33% and 49% activation, respectively. Both stimulate lipolysis in rhesus monkeys (ED50 = 2 and 0.8 mg/kg, respectively), with minimal effects on heart rate. Oral bioavailability in dogs, 41% for L-749,372 and 47%... aid9534.table aid9534.tbin
9535 28 Title: Halothiophene benzimidazoles as P1 surrogates of inhibitors of blood coagulation factor Xa. Abstract: Neutral weak halothiophene benzimidazole inhibitors of the serine protease factor Xa were identified via screening of a compound library. The X-ray crystal structure of representative 3a bound to human fXa confirmed the S1 binding mode. Starting from 3a a series of halothiophene benzimidazoles was synthesized and investigated for their factor Xa inhibitory activity. This led to potent and... aid9535.table aid9535.tbin
9536 1 Title: Fluoropyrrolidine amides as dipeptidyl peptidase IV inhibitors. Abstract: Amides derived from fluorinated pyrrolidines and 4-substituted cyclohexylglycine analogues have been prepared and evaluated as inhibitors of dipeptidyl dipeptidase IV (DP-IV). Analogues which incorporated (S)-3-fluoropyrrolidine showed good selectivity for DP-IV over quiescent cell proline dipeptidase (QPP). Compound 48 had good pharmacokinetic properties and was orally active in an oral glucose tolerance test in le... aid9536.table aid9536.tbin
9537 1 Title: Synthesis and SAR of benzyl and phenoxymethylene oxadiazole benzenesulfonamides as selective beta3 adrenergic receptor agonist antiobesity agents. Abstract: Benzyl and phenoxymethylene substituted oxadiazoles are potent and orally bioavailable beta3 adrenergic receptor (AR) agonists. The 4-trifluormethoxy substituted 5-benzyl oxadiazole 5f has an EC50 of 8 nM in the beta3 AR agonist assay with 100-fold selectivity over beta1 and beta2 AR binding inhibition activity. Its oral bioavailabili... aid9537.table aid9537.tbin
9538 1 Title: Synthesis and SAR of benzyl and phenoxymethylene oxadiazole benzenesulfonamides as selective beta3 adrenergic receptor agonist antiobesity agents. Abstract: Benzyl and phenoxymethylene substituted oxadiazoles are potent and orally bioavailable beta3 adrenergic receptor (AR) agonists. The 4-trifluormethoxy substituted 5-benzyl oxadiazole 5f has an EC50 of 8 nM in the beta3 AR agonist assay with 100-fold selectivity over beta1 and beta2 AR binding inhibition activity. Its oral bioavailabili... aid9538.table aid9538.tbin
9539 1 Title: Tricyclic pyridones as functionally selective human GABAA alpha 2/3 receptor-ion channel ligands. Abstract: A series of tricyclic pyridones has been evaluated as benzodiazepine site ligands with functional selectivity for the alpha(3) over the alpha(1) containing subtype of the human GABA(A) receptor ion channel. This investigation led to the identification of a high affinity, functionally selective, orally bioavailable benzodiazepine site ligand that demonstrated activity in rodent anxio... aid9539.table aid9539.tbin
9540 3 Title: Pharmacokinetic optimization of 3-amino-6-chloropyrazinone acetamide thrombin inhibitors. Implementation of P3 pyridine N-oxides to deliver an orally bioavailable series containing P1 N-benzylamides. Abstract: In this manuscript we demonstrate that a modification principally directed toward the improvement of the aqueous solubility (i.e., introduction a P3 pyridine N-oxide) of the previous lead compound afforded a new series of potent orally bioavailable P1 N-benzylamide thrombin inhibito... aid9540.table aid9540.tbin
9541 6 Title: Orally bioavailable small molecule ketoamide-based inhibitors of cathepsin K. Abstract: An orally available series of ketoamide-based inhibitors of cathepsin K has been identified. Starting from a potent inhibitor with poor oral bioavailability, modifications to P1 and P1' elements led to enhancements in solubility and permeability. These improvements resulted in orally available cathepsin K inhibitors. aid9541.table aid9541.tbin
9542 2 Title: Synthesis and biological evaluation of a water soluble phosphate prodrug of 3-aminopyridine-2-carboxaldehyde thiosemicarbazone (3-AP). Abstract: With the aim of improving its biological and pharmaceutical profiles, two water soluble phosphate prodrugs of 3-AP, 3a and 3b were prepared. The detailed synthesis and the preliminary evaluation of these prodrugs are described. aid9542.table aid9542.tbin
9543 1 Title: Bromobenzofuran-based non-peptide antagonists of angiotensin II: GR138950, a potent antihypertensive agent with high oral bioavailability. Abstract: We have identified GR138950, a potent antagonist of the angiotensin II receptor with high oral bioavailability, as our second drug candidate to GR117289. Using GR117289, a compound with moderate bioavailability (20%) in man as a lead, we pursued a strategy aimed at enhancing bioavailability. The strategy was based on SAR established around th... aid9543.table aid9543.tbin
9544 4 Title: Bromobenzofuran-based non-peptide antagonists of angiotensin II: GR138950, a potent antihypertensive agent with high oral bioavailability. Abstract: We have identified GR138950, a potent antagonist of the angiotensin II receptor with high oral bioavailability, as our second drug candidate to GR117289. Using GR117289, a compound with moderate bioavailability (20%) in man as a lead, we pursued a strategy aimed at enhancing bioavailability. The strategy was based on SAR established around th... aid9544.table aid9544.tbin
9545 1 Title: Discovery of zoniporide: a potent and selective sodium-hydrogen exchanger type 1 (NHE-1) inhibitor with high aqueous solubility. Abstract: Zoniporide (CP-597,396) is a potent and selective inhibitor of NHE-1, which exhibits high aqueous solubility and acceptable pharmacokinetics for intravenous administration. The discovery, synthesis, activities, and rat and dog pharmacokinetics of this compound are presented. The potency and selectivity of zoniporide may be due to the conformation that ... aid9545.table aid9545.tbin
9546 11 Title: Synthesis, pharmacology and pharmacokinetics of 3-(4-aryl-piperazin-1-ylalkyl)-uracils as uroselective alpha1A-antagonists. Abstract: Predominance in the urethra and prostate of the alpha(1A)-adrenoceptor subtype, which is believed to be the receptor mediating noradrenaline induced smooth muscle contraction in these tissues, led to the preparation of alpha(1A)-selective antagonists to be tested as uroselective compounds for the treatment of benign prostatic hyperplasia. Thus, a number of ... aid9546.table aid9546.tbin
9547 1 Title: Tiplaxtinin, a novel, orally efficacious inhibitor of plasminogen activator inhibitor-1: design, synthesis, and preclinical characterization. Abstract: Indole oxoacetic acid derivatives were prepared and evaluated for in vitro binding to and inactivation of human plasminogen activator inhibitor-1 (PAI-1). SAR based on biochemical, physiological, and pharmacokinetic attributes led to identification of tiplaxtinin as the optimal selective PAI-1 inhibitor. Tiplaxtinin exhibited in vivo oral ... aid9547.table aid9547.tbin
9548 1 Title: C6 modification of the pyridinone core of thrombin inhibitor L-374,087 as a means of enhancing its oral absorption. Abstract: 1 (L-374,087) is a potent, selective, efficacious, and orally bioavailable thrombin inhibitor that contains a core 3-amino-2-pyridinone moiety. Replacement of the C6 pyridinone methyl group of 1 by a propyl group gave 5 (L-375,052), which retained all the excellent properties of 1, and also yielded higher plasma levels after oral dosing in dogs and rats. aid9548.table aid9548.tbin
9549 1 Title: N-(cycloalkylamino)acyl-2-aminothiazole inhibitors of cyclin-dependent kinase 2. N-[5-[[[5-(1,1-dimethylethyl)-2-oxazolyl]methyl]thio]-2-thiazolyl]-4- piperidinecarboxamide (BMS-387032), a highly efficacious and selective antitumor agent. Abstract: N-Acyl-2-aminothiazoles with nonaromatic acyl side chains containing a basic amine were found to be potent, selective inhibitors of CDK2/cycE which exhibit antitumor activity in mice. In particular, compound 21 [N-[5-[[[5-(1,1-dimethylethyl)-2-... aid9549.table aid9549.tbin
9550 1 Title: Synthesis and biological results of the technetium-99m-labeled 4-nitroimidazole for imaging tumor hypoxia. Abstract: 1-(4-Nitroimidazole-1-yl)-propanhydroxyiminoamide (N4IPA) was synthesized. The biodistribution of 99mTc-N4IPA in mice bearing S180 tumor demonstrated that the complex showed accumulation in tumor and slow clearance from it. The tumor-to-tissue uptake ratios increase with time. These results suggest that 99mTc-N4IPA would be a marker for imaging tumor hypoxia. aid9550.table aid9550.tbin
9551 1 Title: Synthesis and biological results of the technetium-99m-labeled 4-nitroimidazole for imaging tumor hypoxia. Abstract: 1-(4-Nitroimidazole-1-yl)-propanhydroxyiminoamide (N4IPA) was synthesized. The biodistribution of 99mTc-N4IPA in mice bearing S180 tumor demonstrated that the complex showed accumulation in tumor and slow clearance from it. The tumor-to-tissue uptake ratios increase with time. These results suggest that 99mTc-N4IPA would be a marker for imaging tumor hypoxia. aid9551.table aid9551.tbin
9552 1 Title: Synthesis and biological results of the technetium-99m-labeled 4-nitroimidazole for imaging tumor hypoxia. Abstract: 1-(4-Nitroimidazole-1-yl)-propanhydroxyiminoamide (N4IPA) was synthesized. The biodistribution of 99mTc-N4IPA in mice bearing S180 tumor demonstrated that the complex showed accumulation in tumor and slow clearance from it. The tumor-to-tissue uptake ratios increase with time. These results suggest that 99mTc-N4IPA would be a marker for imaging tumor hypoxia. aid9552.table aid9552.tbin
9553 1 Title: Synthesis and biological results of the technetium-99m-labeled 4-nitroimidazole for imaging tumor hypoxia. Abstract: 1-(4-Nitroimidazole-1-yl)-propanhydroxyiminoamide (N4IPA) was synthesized. The biodistribution of 99mTc-N4IPA in mice bearing S180 tumor demonstrated that the complex showed accumulation in tumor and slow clearance from it. The tumor-to-tissue uptake ratios increase with time. These results suggest that 99mTc-N4IPA would be a marker for imaging tumor hypoxia. aid9553.table aid9553.tbin
9554 1 Title: Synthesis and biological results of the technetium-99m-labeled 4-nitroimidazole for imaging tumor hypoxia. Abstract: 1-(4-Nitroimidazole-1-yl)-propanhydroxyiminoamide (N4IPA) was synthesized. The biodistribution of 99mTc-N4IPA in mice bearing S180 tumor demonstrated that the complex showed accumulation in tumor and slow clearance from it. The tumor-to-tissue uptake ratios increase with time. These results suggest that 99mTc-N4IPA would be a marker for imaging tumor hypoxia. aid9554.table aid9554.tbin
9555 1 Title: Synthesis and biological results of the technetium-99m-labeled 4-nitroimidazole for imaging tumor hypoxia. Abstract: 1-(4-Nitroimidazole-1-yl)-propanhydroxyiminoamide (N4IPA) was synthesized. The biodistribution of 99mTc-N4IPA in mice bearing S180 tumor demonstrated that the complex showed accumulation in tumor and slow clearance from it. The tumor-to-tissue uptake ratios increase with time. These results suggest that 99mTc-N4IPA would be a marker for imaging tumor hypoxia. aid9555.table aid9555.tbin
9556 1 Title: Synthesis and biological results of the technetium-99m-labeled 4-nitroimidazole for imaging tumor hypoxia. Abstract: 1-(4-Nitroimidazole-1-yl)-propanhydroxyiminoamide (N4IPA) was synthesized. The biodistribution of 99mTc-N4IPA in mice bearing S180 tumor demonstrated that the complex showed accumulation in tumor and slow clearance from it. The tumor-to-tissue uptake ratios increase with time. These results suggest that 99mTc-N4IPA would be a marker for imaging tumor hypoxia. aid9556.table aid9556.tbin
9557 1 Title: Synthesis and biological results of the technetium-99m-labeled 4-nitroimidazole for imaging tumor hypoxia. Abstract: 1-(4-Nitroimidazole-1-yl)-propanhydroxyiminoamide (N4IPA) was synthesized. The biodistribution of 99mTc-N4IPA in mice bearing S180 tumor demonstrated that the complex showed accumulation in tumor and slow clearance from it. The tumor-to-tissue uptake ratios increase with time. These results suggest that 99mTc-N4IPA would be a marker for imaging tumor hypoxia. aid9557.table aid9557.tbin
9558 1 Title: Semisynthetic macrolide antibacterials derived from tylosin. Synthesis and structure-activity relationships of novel desmycosin analogues. Abstract: A series of 20-O-substituted and 3,20-di-O-substituted derivatives of desmycosin were synthesized and their biological properties were evaluated. In particular, we have synthesized numerous side chain modified analogues of desmycosin as well as some analogues possessing a combination of modified side chain and alternative C-3 substituents. Th... aid9558.table aid9558.tbin
9559 1 Title: Semisynthetic macrolide antibacterials derived from tylosin. Synthesis and structure-activity relationships of novel desmycosin analogues. Abstract: A series of 20-O-substituted and 3,20-di-O-substituted derivatives of desmycosin were synthesized and their biological properties were evaluated. In particular, we have synthesized numerous side chain modified analogues of desmycosin as well as some analogues possessing a combination of modified side chain and alternative C-3 substituents. Th... aid9559.table aid9559.tbin
9560 1 Title: Semisynthetic macrolide antibacterials derived from tylosin. Synthesis and structure-activity relationships of novel desmycosin analogues. Abstract: A series of 20-O-substituted and 3,20-di-O-substituted derivatives of desmycosin were synthesized and their biological properties were evaluated. In particular, we have synthesized numerous side chain modified analogues of desmycosin as well as some analogues possessing a combination of modified side chain and alternative C-3 substituents. Th... aid9560.table aid9560.tbin
9561 1 Title: Semisynthetic macrolide antibacterials derived from tylosin. Synthesis and structure-activity relationships of novel desmycosin analogues. Abstract: A series of 20-O-substituted and 3,20-di-O-substituted derivatives of desmycosin were synthesized and their biological properties were evaluated. In particular, we have synthesized numerous side chain modified analogues of desmycosin as well as some analogues possessing a combination of modified side chain and alternative C-3 substituents. Th... aid9561.table aid9561.tbin
9562 1 Title: Semisynthetic macrolide antibacterials derived from tylosin. Synthesis and structure-activity relationships of novel desmycosin analogues. Abstract: A series of 20-O-substituted and 3,20-di-O-substituted derivatives of desmycosin were synthesized and their biological properties were evaluated. In particular, we have synthesized numerous side chain modified analogues of desmycosin as well as some analogues possessing a combination of modified side chain and alternative C-3 substituents. Th... aid9562.table aid9562.tbin
9563 1 Title: Integrating fragment assembly and biophysical methods in the chemical advancement of small-molecule antagonists of IL-2: an approach for inhibiting protein-protein interactions. Abstract: Fragment assembly has shown promise for discovering small-molecule antagonists for difficult targets, including protein-protein interactions. Here, we describe a process for identifying a 60 nM inhibitor of the interleukin-2 (IL-2)/IL-2 receptor (IL-2Ralpha) interaction. By use of fragment-based approach... aid9563.table aid9563.tbin
9564 1 Title: N-(cycloalkylamino)acyl-2-aminothiazole inhibitors of cyclin-dependent kinase 2. N-[5-[[[5-(1,1-dimethylethyl)-2-oxazolyl]methyl]thio]-2-thiazolyl]-4- piperidinecarboxamide (BMS-387032), a highly efficacious and selective antitumor agent. Abstract: N-Acyl-2-aminothiazoles with nonaromatic acyl side chains containing a basic amine were found to be potent, selective inhibitors of CDK2/cycE which exhibit antitumor activity in mice. In particular, compound 21 [N-[5-[[[5-(1,1-dimethylethyl)-2-... aid9564.table aid9564.tbin
9565 1 Title: Sultam hydroxamates as novel matrix metalloproteinase inhibitors. Abstract: In this communication we describe the design, synthesis, and evaluation of novel sultam hydroxamates 4 as MMP-2, -9, and -13 inhibitors. Compound 26 was found to be an active inhibitor (MMP-2 IC(50) = 1 nM) with 1000-fold selectivity over MMP-1 and good oral bioavailability (F = 43%) in mouse. An X-ray crystal structure of 26 in MMP-13 confirms the key hydrogen bonds and prime side binding in the active site. aid9565.table aid9565.tbin
9566 1 Title: The synthesis and biological evaluation of a novel series of indole PDE4 inhibitors I. Abstract: This communication describes the synthesis and in vitro evaluation of a novel potent series of phosphodiesterase type (IV) (PDE4) inhibitors. The compounds described contain an indole moiety which replaces the 'rolipram-like' 3-methoxy-4-cyclopentoxy motif. Several of the compounds presented possess low nanomolar IC50's for PDEIV inhibition. In vivo activities determined from measurement of se... aid9566.table aid9566.tbin
9567 1 Title: The synthesis and biological evaluation of a novel series of indole PDE4 inhibitors I. Abstract: This communication describes the synthesis and in vitro evaluation of a novel potent series of phosphodiesterase type (IV) (PDE4) inhibitors. The compounds described contain an indole moiety which replaces the 'rolipram-like' 3-methoxy-4-cyclopentoxy motif. Several of the compounds presented possess low nanomolar IC50's for PDEIV inhibition. In vivo activities determined from measurement of se... aid9567.table aid9567.tbin
9568 1 Title: Indazolylamino quinazolines and pyridopyrimidines as inhibitors of the EGFr and C-erbB-2. Abstract: Described herein is the design and synthesis of indazolylaminopyridopyrimidines and quinazolines as inhibitors of the class 1 tyrosine kinase receptor family. Data is presented for N(4)-(1-benzyl-1H-indazol-5-yl)-N(6),N(6)-dimethylpyrido[3,4-d]pyrimidine-4,6-diamine 3B. This compound inhibited EGFr and c-erbB-2 enzymes selectively over other kinases. It inhibited the proliferation of a rang... aid9568.table aid9568.tbin
9569 1 Title: Design and synthesis of a fluoroindolocarbazole series as selective topoisomerase I active agents. Discovery of water-soluble 3,9-difluoro-12,13-dihydro-13-[6-amino-beta-D-glucopyranosyl]-5H,13H-benzo[b]- thienyl[2,3-a]pyrrolo[3,4-c]carbazole- 5,7(6H)-dione (BMS-251873) with curative antitumor activity against prostate carcinoma xenograft tumor model. Abstract: A series of fluoroindolocarbazoles were studied with respect to their topoisomerase I activity, cytotoxicity, selectivity, and in... aid9569.table aid9569.tbin
9570 1 Title: Design and synthesis of a fluoroindolocarbazole series as selective topoisomerase I active agents. Discovery of water-soluble 3,9-difluoro-12,13-dihydro-13-[6-amino-beta-D-glucopyranosyl]-5H,13H-benzo[b]- thienyl[2,3-a]pyrrolo[3,4-c]carbazole- 5,7(6H)-dione (BMS-251873) with curative antitumor activity against prostate carcinoma xenograft tumor model. Abstract: A series of fluoroindolocarbazoles were studied with respect to their topoisomerase I activity, cytotoxicity, selectivity, and in... aid9570.table aid9570.tbin
9571 1 Title: Design and synthesis of a fluoroindolocarbazole series as selective topoisomerase I active agents. Discovery of water-soluble 3,9-difluoro-12,13-dihydro-13-[6-amino-beta-D-glucopyranosyl]-5H,13H-benzo[b]- thienyl[2,3-a]pyrrolo[3,4-c]carbazole- 5,7(6H)-dione (BMS-251873) with curative antitumor activity against prostate carcinoma xenograft tumor model. Abstract: A series of fluoroindolocarbazoles were studied with respect to their topoisomerase I activity, cytotoxicity, selectivity, and in... aid9571.table aid9571.tbin
9572 1 Title: Design and synthesis of a fluoroindolocarbazole series as selective topoisomerase I active agents. Discovery of water-soluble 3,9-difluoro-12,13-dihydro-13-[6-amino-beta-D-glucopyranosyl]-5H,13H-benzo[b]- thienyl[2,3-a]pyrrolo[3,4-c]carbazole- 5,7(6H)-dione (BMS-251873) with curative antitumor activity against prostate carcinoma xenograft tumor model. Abstract: A series of fluoroindolocarbazoles were studied with respect to their topoisomerase I activity, cytotoxicity, selectivity, and in... aid9572.table aid9572.tbin
9573 1 Title: Identification of a novel class of orally active pyrimido[5,4-3][1,2,4]triazine-5,7-diamine-based hypoglycemic agents with protein tyrosine phosphatase inhibitory activity. Abstract: A novel series of orally active pyrimido[5,4-3][1,2,4]triazine-5,7-diamine-based hypoglycemic agents have been identified. These compounds show non-selective inhibitory properties against a panel of protein tyrosine phosphatases including PTP1B. Compounds 12 and 13 display oral glucose lowering effects in ob/... aid9573.table aid9573.tbin
9574 2 Title: Orally active indole N-oxide PDE4 inhibitors. Abstract: This communication describes the synthesis and in vitro and in vivo evaluation of a novel potent series of phosphodiesterase type (IV) (PDE4) inhibitors. Several of the compounds presented possess low nanomolar IC50's for PDE4 inhibition and excellent in vivo activity for inhibition of TNF-alpha levels in LPS challenged mice (mouse endotoxemia model). Emesis studies (dog) and efficacy in a SCW arthritis model for the most potent PDE4... aid9574.table aid9574.tbin
9575 2 Title: Array synthesis of novel lipodepsipeptide. Abstract: Synthetic array technology was utilized to rapidly synthesize and analyze a diverse set of reductive alkylation analogues of daptomycin. Analysis of the array suggested the use of polar functionality such as sulfonamides or amide or polar spaces such as piperazine would beneficially affect activity. aid9575.table aid9575.tbin
9576 5 Title: 3-(2-aminoalkyl)-1-(2,6-difluorobenzyl)-5- (2-fluoro-3-methoxyphenyl)-6-methyl-uracils as orally bioavailable antagonists of the human gonadotropin releasing hormone receptor. Abstract: Uracils possessing N-3 side chains derived from various amino alcohols were designed and synthesized as potent human gonadotropin releasing hormone receptor antagonists. The compounds herein presented displayed superior metabolic stability than their predecessor molecules. Selected compounds from this seri... aid9576.table aid9576.tbin
9577 4 Title: Synthesis and structure-activity relationships of 1-arylmethyl-5-aryl-6-methyluracils as potent gonadotropin-releasing hormone receptor antagonists. Abstract: Based on the SAR from bicyclic gonadotropin-releasing hormone (GnRH) antagonists such as 6-aminomethyl-7-aryl-pyrrolo[1,2-a]pyrimid-4-ones (5) and 2-aryl-3-aminomethyl-imidazolo[1,2-a]pyrimid-5-ones (6a,b), a series of novel uracil compounds (8) were derived as GnRH antagonists. The synthesis and SAR studies of 6-methyluracils as hu... aid9577.table aid9577.tbin
9578 1 Title: Discovery of aminothiazole inhibitors of cyclin-dependent kinase 2: synthesis, X-ray crystallographic analysis, and biological activities. Abstract: High throughput screening identified 2-acetamido-thiazolylthio acetic ester 1 as an inhibitor of cyclin-dependent kinase 2 (CDK2). Because this compound is inactive in cells and unstable in plasma, we have stabilized it to metabolic hydrolysis by replacing the ester moiety with a 5-ethyl-substituted oxazole as in compound 14. Combinatorial an... aid9578.table aid9578.tbin
9579 6 Title: New semisynthetic quassinoids with in vivo antimalarial activity. Abstract: On the basis of a comparative analysis for stability in mouse serum between 15-O-acetylbruceolide and bruceolide 15-methyl carbonate, several 3,15-dialkyl carbonates of bruceolide were synthesized and their in vitro antimalarial activity was assessed. Methyl, ethyl, and isopropyl carbonates with pronounced in vitro activity were further evaluated for in vivo antimalarial potency. Both the methyl and ethyl carbonat... aid9579.table aid9579.tbin
9580 1 Title: Discovery, SAR, synthesis, pharmacokinetic and biochemical characterization of A-192411: a novel fungicidal lipopeptide-(I). Abstract: The echinocandin class of cyclic lipopeptides has been simplified to discover potent antifungal compounds. Namely A-192411 shows good in vitro activity against common pathogenic yeasts and has an acceptable safety window in vivo. Discovery, limited SAR, synthesis, biochemical and pharmaco-dynamic profiles of A-192411 are presented. aid9580.table aid9580.tbin
9581 1 Title: Synthesis and evaluation of dihydropyrroloquinolines that selectively antagonize P-glycoprotein. Abstract: In a search for improved multiple drug resistance (MDR) modulators, we identified a novel series of substituted pyrroloquinolines that selectively inhibits the function of P-glycoprotein (Pgp) without modulating multidrug resistance-related protein 1 (MRP1). These compounds were evaluated for their toxicity toward drug-sensitive tumor cells (i.e. MCF-7, T24) and for their ability to ... aid9581.table aid9581.tbin
9582 1 Title: A-420983: a potent, orally active inhibitor of lck with efficacy in a model of transplant rejection. Abstract: We have identified the pyrazolo[3,4-d]pyrimidine A-420983 (compound 7) as a potent inhibitor of lck. A-420983 exhibits oral efficacy in animal models of delayed-type hypersensitivity and organ transplant rejection. aid9582.table aid9582.tbin
9583 1 Title: Synthesis and biological activity of N-Acylated ornithine analogues of daptomycin. Abstract: N-Acylated ornithine analogues of daptomycin were synthesized and tested for their antibacterial efficacy. aid9583.table aid9583.tbin
9584 5 Title: Synthesis and biological activity of N-Acylated ornithine analogues of daptomycin. Abstract: N-Acylated ornithine analogues of daptomycin were synthesized and tested for their antibacterial efficacy. aid9584.table aid9584.tbin
9585 1 Title: Synthesis and biological activity of N-Acylated ornithine analogues of daptomycin. Abstract: N-Acylated ornithine analogues of daptomycin were synthesized and tested for their antibacterial efficacy. aid9585.table aid9585.tbin
9586 3 Title: Discovery of aminothiazole inhibitors of cyclin-dependent kinase 2: synthesis, X-ray crystallographic analysis, and biological activities. Abstract: High throughput screening identified 2-acetamido-thiazolylthio acetic ester 1 as an inhibitor of cyclin-dependent kinase 2 (CDK2). Because this compound is inactive in cells and unstable in plasma, we have stabilized it to metabolic hydrolysis by replacing the ester moiety with a 5-ethyl-substituted oxazole as in compound 14. Combinatorial an... aid9586.table aid9586.tbin
9587 2 Title: Design and synthesis of fluorinated RXR modulators. Abstract: Fluorinated trienoic acid analogues of the RXR selective modulator 1 (LG101506) were synthesized, and tested for their ability to bind RXRalpha and activate RXR homo and heterodimers. Potency and efficacy were observed to be dependent upon the position of fluorination, and improvement in pharmacological profile was demonstrated in some cases. aid9587.table aid9587.tbin
9588 1 Title: N-(cycloalkylamino)acyl-2-aminothiazole inhibitors of cyclin-dependent kinase 2. N-[5-[[[5-(1,1-dimethylethyl)-2-oxazolyl]methyl]thio]-2-thiazolyl]-4- piperidinecarboxamide (BMS-387032), a highly efficacious and selective antitumor agent. Abstract: N-Acyl-2-aminothiazoles with nonaromatic acyl side chains containing a basic amine were found to be potent, selective inhibitors of CDK2/cycE which exhibit antitumor activity in mice. In particular, compound 21 [N-[5-[[[5-(1,1-dimethylethyl)-2-... aid9588.table aid9588.tbin
9589 1 Title: Semisynthetic macrolide antibacterials derived from tylosin. Synthesis and structure-activity relationships of novel desmycosin analogues. Abstract: A series of 20-O-substituted and 3,20-di-O-substituted derivatives of desmycosin were synthesized and their biological properties were evaluated. In particular, we have synthesized numerous side chain modified analogues of desmycosin as well as some analogues possessing a combination of modified side chain and alternative C-3 substituents. Th... aid9589.table aid9589.tbin
9590 1 Title: Semisynthetic macrolide antibacterials derived from tylosin. Synthesis and structure-activity relationships of novel desmycosin analogues. Abstract: A series of 20-O-substituted and 3,20-di-O-substituted derivatives of desmycosin were synthesized and their biological properties were evaluated. In particular, we have synthesized numerous side chain modified analogues of desmycosin as well as some analogues possessing a combination of modified side chain and alternative C-3 substituents. Th... aid9590.table aid9590.tbin
9591 1 Title: Semisynthetic macrolide antibacterials derived from tylosin. Synthesis and structure-activity relationships of novel desmycosin analogues. Abstract: A series of 20-O-substituted and 3,20-di-O-substituted derivatives of desmycosin were synthesized and their biological properties were evaluated. In particular, we have synthesized numerous side chain modified analogues of desmycosin as well as some analogues possessing a combination of modified side chain and alternative C-3 substituents. Th... aid9591.table aid9591.tbin
9592 1 Title: Semisynthetic macrolide antibacterials derived from tylosin. Synthesis and structure-activity relationships of novel desmycosin analogues. Abstract: A series of 20-O-substituted and 3,20-di-O-substituted derivatives of desmycosin were synthesized and their biological properties were evaluated. In particular, we have synthesized numerous side chain modified analogues of desmycosin as well as some analogues possessing a combination of modified side chain and alternative C-3 substituents. Th... aid9592.table aid9592.tbin
9593 1 Title: N-(cycloalkylamino)acyl-2-aminothiazole inhibitors of cyclin-dependent kinase 2. N-[5-[[[5-(1,1-dimethylethyl)-2-oxazolyl]methyl]thio]-2-thiazolyl]-4- piperidinecarboxamide (BMS-387032), a highly efficacious and selective antitumor agent. Abstract: N-Acyl-2-aminothiazoles with nonaromatic acyl side chains containing a basic amine were found to be potent, selective inhibitors of CDK2/cycE which exhibit antitumor activity in mice. In particular, compound 21 [N-[5-[[[5-(1,1-dimethylethyl)-2-... aid9593.table aid9593.tbin
9594 2 Title: N-(cycloalkylamino)acyl-2-aminothiazole inhibitors of cyclin-dependent kinase 2. N-[5-[[[5-(1,1-dimethylethyl)-2-oxazolyl]methyl]thio]-2-thiazolyl]-4- piperidinecarboxamide (BMS-387032), a highly efficacious and selective antitumor agent. Abstract: N-Acyl-2-aminothiazoles with nonaromatic acyl side chains containing a basic amine were found to be potent, selective inhibitors of CDK2/cycE which exhibit antitumor activity in mice. In particular, compound 21 [N-[5-[[[5-(1,1-dimethylethyl)-2-... aid9594.table aid9594.tbin
9595 1 Title: N-(cycloalkylamino)acyl-2-aminothiazole inhibitors of cyclin-dependent kinase 2. N-[5-[[[5-(1,1-dimethylethyl)-2-oxazolyl]methyl]thio]-2-thiazolyl]-4- piperidinecarboxamide (BMS-387032), a highly efficacious and selective antitumor agent. Abstract: N-Acyl-2-aminothiazoles with nonaromatic acyl side chains containing a basic amine were found to be potent, selective inhibitors of CDK2/cycE which exhibit antitumor activity in mice. In particular, compound 21 [N-[5-[[[5-(1,1-dimethylethyl)-2-... aid9595.table aid9595.tbin
9596 1 Title: N-(cycloalkylamino)acyl-2-aminothiazole inhibitors of cyclin-dependent kinase 2. N-[5-[[[5-(1,1-dimethylethyl)-2-oxazolyl]methyl]thio]-2-thiazolyl]-4- piperidinecarboxamide (BMS-387032), a highly efficacious and selective antitumor agent. Abstract: N-Acyl-2-aminothiazoles with nonaromatic acyl side chains containing a basic amine were found to be potent, selective inhibitors of CDK2/cycE which exhibit antitumor activity in mice. In particular, compound 21 [N-[5-[[[5-(1,1-dimethylethyl)-2-... aid9596.table aid9596.tbin
9597 1 Title: N-(cycloalkylamino)acyl-2-aminothiazole inhibitors of cyclin-dependent kinase 2. N-[5-[[[5-(1,1-dimethylethyl)-2-oxazolyl]methyl]thio]-2-thiazolyl]-4- piperidinecarboxamide (BMS-387032), a highly efficacious and selective antitumor agent. Abstract: N-Acyl-2-aminothiazoles with nonaromatic acyl side chains containing a basic amine were found to be potent, selective inhibitors of CDK2/cycE which exhibit antitumor activity in mice. In particular, compound 21 [N-[5-[[[5-(1,1-dimethylethyl)-2-... aid9597.table aid9597.tbin
9598 1 Title: Semisynthetic macrolide antibacterials derived from tylosin. Synthesis and structure-activity relationships of novel desmycosin analogues. Abstract: A series of 20-O-substituted and 3,20-di-O-substituted derivatives of desmycosin were synthesized and their biological properties were evaluated. In particular, we have synthesized numerous side chain modified analogues of desmycosin as well as some analogues possessing a combination of modified side chain and alternative C-3 substituents. Th... aid9598.table aid9598.tbin
9599 1 Title: Discovery of aminothiazole inhibitors of cyclin-dependent kinase 2: synthesis, X-ray crystallographic analysis, and biological activities. Abstract: High throughput screening identified 2-acetamido-thiazolylthio acetic ester 1 as an inhibitor of cyclin-dependent kinase 2 (CDK2). Because this compound is inactive in cells and unstable in plasma, we have stabilized it to metabolic hydrolysis by replacing the ester moiety with a 5-ethyl-substituted oxazole as in compound 14. Combinatorial an... aid9599.table aid9599.tbin
9600 1 Title: Discovery of aminothiazole inhibitors of cyclin-dependent kinase 2: synthesis, X-ray crystallographic analysis, and biological activities. Abstract: High throughput screening identified 2-acetamido-thiazolylthio acetic ester 1 as an inhibitor of cyclin-dependent kinase 2 (CDK2). Because this compound is inactive in cells and unstable in plasma, we have stabilized it to metabolic hydrolysis by replacing the ester moiety with a 5-ethyl-substituted oxazole as in compound 14. Combinatorial an... aid9600.table aid9600.tbin
9601 1 Title: Identification of a novel class of orally active pyrimido[5,4-3][1,2,4]triazine-5,7-diamine-based hypoglycemic agents with protein tyrosine phosphatase inhibitory activity. Abstract: A novel series of orally active pyrimido[5,4-3][1,2,4]triazine-5,7-diamine-based hypoglycemic agents have been identified. These compounds show non-selective inhibitory properties against a panel of protein tyrosine phosphatases including PTP1B. Compounds 12 and 13 display oral glucose lowering effects in ob/... aid9601.table aid9601.tbin
9602 4 Title: Design and synthesis of novel RXR-selective modulators with improved pharmacological profile. Abstract: New RXR-selective modulators possessing a 6-fluoro trienoic acid moiety (6Z olefin) or a fluorinated/heterocyclic-substituted benzene core ring, were synthesized in an expedient and selective way. A subset of these compounds was evaluated for their metabolic properties (exposure in IRC male mice) and show a dramatic increase of exposure compared to our reference compound, 3 (LG101506). aid9602.table aid9602.tbin
9603 1 Title: Novel 6,7-diphenyl-2,3,8,8a-tetrahydro-1H-indolizin-5-one analogues as cytotoxic agents. Abstract: A series of 6,7-diphenyl-2,3,8,8a-tetrahydro-1H-indolizin-5-one analogues were synthesized and evaluated for cytotoxic activity against eight human cancer cell lines. Compounds 18, 21, 28, 29, 30 and 31 showed cytotoxic activity with GI(50) values in the range of 2.1-8.1 microM concentration. Among these, compounds 21 and 28 exhibited good pharmacokinetic properties. These compounds were fur... aid9603.table aid9603.tbin
9604 5 Title: Novel 6,7-diphenyl-2,3,8,8a-tetrahydro-1H-indolizin-5-one analogues as cytotoxic agents. Abstract: A series of 6,7-diphenyl-2,3,8,8a-tetrahydro-1H-indolizin-5-one analogues were synthesized and evaluated for cytotoxic activity against eight human cancer cell lines. Compounds 18, 21, 28, 29, 30 and 31 showed cytotoxic activity with GI(50) values in the range of 2.1-8.1 microM concentration. Among these, compounds 21 and 28 exhibited good pharmacokinetic properties. These compounds were fur... aid9604.table aid9604.tbin
9605 2 Title: Structure-activity relationship of 3-substituted N-(pyridinylacetyl)-4- (8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene )- piperidine inhibitors of farnesyl-protein transferase: design and synthesis of in vivo active antitumor compounds. Abstract: Novel tricyclic Ras farnesyl-protein transferase (FPT) inhibitors are described. A comprehensive structure-activity relationship (SAR) study of compounds arising from substitution at the 3-position of the tricyclic pyridi... aid9605.table aid9605.tbin
9606 1 Title: Pyrrolo[2,3-d]pyrimidines containing diverse N-7 substituents as potent inhibitors of Lck. Abstract: A series of pyrrolo[2,3-d]pyrimidines was synthesized and evaluated as inhibitors of Lck. Lck accommodates a diverse set of substituents at N-7. Altering the substituent at N-7 provided compound 13, an orally available lck inhibitor which inhibited TCR mediated IL-2 production after oral dosing. aid9606.table aid9606.tbin
9607 3 Evaluated for pharmacokinetic parameter Cmax in mouse at the dose 20 mg/kg aid9607.table aid9607.tbin
9608 10 Title: 2-acetylpyridine thiosemicarbazones. 13. Derivatives with antifilarial activity. Abstract: Several members of a series of 2-acetylpyridine thiosemicarbazones possess in vivo and in vitro macrofilaricidal properties. The most promising of the group tested is N4-(2-aminophenyl)-2-[1-(2-pyridinyl)ethylidene]-hydrazinecarbothioam ide (4), which suppressed 100% of the macrofilariae of Brugia pahangi and 94% of those of Acanthocheilonema viteae in the jird at a dose of 25 mg/kg per day x 5. Com... aid9608.table aid9608.tbin
9609 2 Title: 2-acetylpyridine thiosemicarbazones. 13. Derivatives with antifilarial activity. Abstract: Several members of a series of 2-acetylpyridine thiosemicarbazones possess in vivo and in vitro macrofilaricidal properties. The most promising of the group tested is N4-(2-aminophenyl)-2-[1-(2-pyridinyl)ethylidene]-hydrazinecarbothioam ide (4), which suppressed 100% of the macrofilariae of Brugia pahangi and 94% of those of Acanthocheilonema viteae in the jird at a dose of 25 mg/kg per day x 5. Com... aid9609.table aid9609.tbin
9610 1 Title: 2-acetylpyridine thiosemicarbazones. 13. Derivatives with antifilarial activity. Abstract: Several members of a series of 2-acetylpyridine thiosemicarbazones possess in vivo and in vitro macrofilaricidal properties. The most promising of the group tested is N4-(2-aminophenyl)-2-[1-(2-pyridinyl)ethylidene]-hydrazinecarbothioam ide (4), which suppressed 100% of the macrofilariae of Brugia pahangi and 94% of those of Acanthocheilonema viteae in the jird at a dose of 25 mg/kg per day x 5. Com... aid9610.table aid9610.tbin
9611 4 Title: Chromophore-modified antitumor anthracenediones: synthesis, DNA binding, and cytotoxic activity of 1,4-bis[(aminoalkyl)amino]benzo[g]-phthalazine-5,10-diones. Abstract: As part of a program aimed at exploring the effect of the introduction of heteroatoms into the anthracene-9,10-dione chromophore, we have synthesized novel 1,4-bis[(aminoalkyl)amino]-benzo[g]phthalazine-5,10-diones (BPDs) 1 which are related to the antitumor agents ametantrone and mitoxantrone. Derivatives 1 were prepared ... aid9611.table aid9611.tbin
9612 1 Title: High-pressure synthesis of enantiomerically pure C-6 substituted pyrazol. Abstract: The synthesis of enantiomerically pure C-6 substituted pyrazolo[3,4-d]pyrimidines has been performed by aromatic nucleophilic substitution of 4-amino-6-chloro-1-phenylpyrazolo[3,4-rd]pyrimidine under conditions of high pressure at ambient temperature. Conventional synthetic conditions (reflux at atmospheric pressure) were unsuccessful. The S enantiomer 11 displayed higher affinity and selectivity for the a... aid9612.table aid9612.tbin
9613 1 Title: 5'-Deoxy congeners of 9-(3-amido-3-deoxy-beta-D-xylofuranosyl)-N(6)-cyclopentyladenine: new adenosine A(1) receptor antagonists and inverse agonists. Abstract: The synthesis and structure-activity relationship of N(6)-cyclopentyl-3'-substituted-xylofuranosyladenosine analogues with respect to various adenosine receptors were explored in order to identify selective and potent antagonists and inverse agonists for the adenosine A(1) receptor. In particular, the effects of removal of the 5'-O... aid9613.table aid9613.tbin
9614 1 Title: Synthesis and biological effects of a new series of 2-amino-3-benzoylthiophenes as allosteric enhancers of A1-adenosine receptor. Abstract: New derivatives of PD 81,723, an allosteric enhancer of agonist binding to the A1-adenosine receptor, have been synthesized and evaluated in an intact cell assay. Compounds 3a, 3o and 3p appeared to be more potent than PD 81,723 and at a concentration of 0.1 microM caused significant reductions of cAMP content of CHO cells expressing the human A1-aden... aid9614.table aid9614.tbin
9615 1 Title: Synthesis and biological effects of a new series of 2-amino-3-benzoylthiophenes as allosteric enhancers of A1-adenosine receptor. Abstract: New derivatives of PD 81,723, an allosteric enhancer of agonist binding to the A1-adenosine receptor, have been synthesized and evaluated in an intact cell assay. Compounds 3a, 3o and 3p appeared to be more potent than PD 81,723 and at a concentration of 0.1 microM caused significant reductions of cAMP content of CHO cells expressing the human A1-aden... aid9615.table aid9615.tbin
9616 13 Title: Synthesis and biological effects of a new series of 2-amino-3-benzoylthiophenes as allosteric enhancers of A1-adenosine receptor. Abstract: New derivatives of PD 81,723, an allosteric enhancer of agonist binding to the A1-adenosine receptor, have been synthesized and evaluated in an intact cell assay. Compounds 3a, 3o and 3p appeared to be more potent than PD 81,723 and at a concentration of 0.1 microM caused significant reductions of cAMP content of CHO cells expressing the human A1-aden... aid9616.table aid9616.tbin
9617 19 Title: Synthesis and biological effects of a new series of 2-amino-3-benzoylthiophenes as allosteric enhancers of A1-adenosine receptor. Abstract: New derivatives of PD 81,723, an allosteric enhancer of agonist binding to the A1-adenosine receptor, have been synthesized and evaluated in an intact cell assay. Compounds 3a, 3o and 3p appeared to be more potent than PD 81,723 and at a concentration of 0.1 microM caused significant reductions of cAMP content of CHO cells expressing the human A1-aden... aid9617.table aid9617.tbin
9618 2 Title: Synthesis and biological effects of a new series of 2-amino-3-benzoylthiophenes as allosteric enhancers of A1-adenosine receptor. Abstract: New derivatives of PD 81,723, an allosteric enhancer of agonist binding to the A1-adenosine receptor, have been synthesized and evaluated in an intact cell assay. Compounds 3a, 3o and 3p appeared to be more potent than PD 81,723 and at a concentration of 0.1 microM caused significant reductions of cAMP content of CHO cells expressing the human A1-aden... aid9618.table aid9618.tbin
9619 1 Title: Synthesis and biological effects of a new series of 2-amino-3-benzoylthiophenes as allosteric enhancers of A1-adenosine receptor. Abstract: New derivatives of PD 81,723, an allosteric enhancer of agonist binding to the A1-adenosine receptor, have been synthesized and evaluated in an intact cell assay. Compounds 3a, 3o and 3p appeared to be more potent than PD 81,723 and at a concentration of 0.1 microM caused significant reductions of cAMP content of CHO cells expressing the human A1-aden... aid9619.table aid9619.tbin
9620 1 Title: Synthesis and biological effects of a new series of 2-amino-3-benzoylthiophenes as allosteric enhancers of A1-adenosine receptor. Abstract: New derivatives of PD 81,723, an allosteric enhancer of agonist binding to the A1-adenosine receptor, have been synthesized and evaluated in an intact cell assay. Compounds 3a, 3o and 3p appeared to be more potent than PD 81,723 and at a concentration of 0.1 microM caused significant reductions of cAMP content of CHO cells expressing the human A1-aden... aid9620.table aid9620.tbin
9621 7 Title: Synthesis and biological effects of a new series of 2-amino-3-benzoylthiophenes as allosteric enhancers of A1-adenosine receptor. Abstract: New derivatives of PD 81,723, an allosteric enhancer of agonist binding to the A1-adenosine receptor, have been synthesized and evaluated in an intact cell assay. Compounds 3a, 3o and 3p appeared to be more potent than PD 81,723 and at a concentration of 0.1 microM caused significant reductions of cAMP content of CHO cells expressing the human A1-aden... aid9621.table aid9621.tbin
9622 1 Title: Synthesis and biological effects of a new series of 2-amino-3-benzoylthiophenes as allosteric enhancers of A1-adenosine receptor. Abstract: New derivatives of PD 81,723, an allosteric enhancer of agonist binding to the A1-adenosine receptor, have been synthesized and evaluated in an intact cell assay. Compounds 3a, 3o and 3p appeared to be more potent than PD 81,723 and at a concentration of 0.1 microM caused significant reductions of cAMP content of CHO cells expressing the human A1-aden... aid9622.table aid9622.tbin
9623 1 Title: Synthesis and biological effects of a new series of 2-amino-3-benzoylthiophenes as allosteric enhancers of A1-adenosine receptor. Abstract: New derivatives of PD 81,723, an allosteric enhancer of agonist binding to the A1-adenosine receptor, have been synthesized and evaluated in an intact cell assay. Compounds 3a, 3o and 3p appeared to be more potent than PD 81,723 and at a concentration of 0.1 microM caused significant reductions of cAMP content of CHO cells expressing the human A1-aden... aid9623.table aid9623.tbin
9624 27 Title: Synthesis and biological effects of a new series of 2-amino-3-benzoylthiophenes as allosteric enhancers of A1-adenosine receptor. Abstract: New derivatives of PD 81,723, an allosteric enhancer of agonist binding to the A1-adenosine receptor, have been synthesized and evaluated in an intact cell assay. Compounds 3a, 3o and 3p appeared to be more potent than PD 81,723 and at a concentration of 0.1 microM caused significant reductions of cAMP content of CHO cells expressing the human A1-aden... aid9624.table aid9624.tbin
9625 6 Title: Synthesis and biological effects of a new series of 2-amino-3-benzoylthiophenes as allosteric enhancers of A1-adenosine receptor. Abstract: New derivatives of PD 81,723, an allosteric enhancer of agonist binding to the A1-adenosine receptor, have been synthesized and evaluated in an intact cell assay. Compounds 3a, 3o and 3p appeared to be more potent than PD 81,723 and at a concentration of 0.1 microM caused significant reductions of cAMP content of CHO cells expressing the human A1-aden... aid9625.table aid9625.tbin
9626 11 Title: Synthesis and biological effects of a new series of 2-amino-3-benzoylthiophenes as allosteric enhancers of A1-adenosine receptor. Abstract: New derivatives of PD 81,723, an allosteric enhancer of agonist binding to the A1-adenosine receptor, have been synthesized and evaluated in an intact cell assay. Compounds 3a, 3o and 3p appeared to be more potent than PD 81,723 and at a concentration of 0.1 microM caused significant reductions of cAMP content of CHO cells expressing the human A1-aden... aid9626.table aid9626.tbin
9627 1 Title: Synthesis and biological effects of a new series of 2-amino-3-benzoylthiophenes as allosteric enhancers of A1-adenosine receptor. Abstract: New derivatives of PD 81,723, an allosteric enhancer of agonist binding to the A1-adenosine receptor, have been synthesized and evaluated in an intact cell assay. Compounds 3a, 3o and 3p appeared to be more potent than PD 81,723 and at a concentration of 0.1 microM caused significant reductions of cAMP content of CHO cells expressing the human A1-aden... aid9627.table aid9627.tbin
9628 1 Title: Synthesis and biological effects of a new series of 2-amino-3-benzoylthiophenes as allosteric enhancers of A1-adenosine receptor. Abstract: New derivatives of PD 81,723, an allosteric enhancer of agonist binding to the A1-adenosine receptor, have been synthesized and evaluated in an intact cell assay. Compounds 3a, 3o and 3p appeared to be more potent than PD 81,723 and at a concentration of 0.1 microM caused significant reductions of cAMP content of CHO cells expressing the human A1-aden... aid9628.table aid9628.tbin
9629 1 Title: Synthesis and biological effects of a new series of 2-amino-3-benzoylthiophenes as allosteric enhancers of A1-adenosine receptor. Abstract: New derivatives of PD 81,723, an allosteric enhancer of agonist binding to the A1-adenosine receptor, have been synthesized and evaluated in an intact cell assay. Compounds 3a, 3o and 3p appeared to be more potent than PD 81,723 and at a concentration of 0.1 microM caused significant reductions of cAMP content of CHO cells expressing the human A1-aden... aid9629.table aid9629.tbin
9630 27 Title: Synthesis and biological effects of a new series of 2-amino-3-benzoylthiophenes as allosteric enhancers of A1-adenosine receptor. Abstract: New derivatives of PD 81,723, an allosteric enhancer of agonist binding to the A1-adenosine receptor, have been synthesized and evaluated in an intact cell assay. Compounds 3a, 3o and 3p appeared to be more potent than PD 81,723 and at a concentration of 0.1 microM caused significant reductions of cAMP content of CHO cells expressing the human A1-aden... aid9630.table aid9630.tbin
9631 1 Title: Synthesis and biological effects of a new series of 2-amino-3-benzoylthiophenes as allosteric enhancers of A1-adenosine receptor. Abstract: New derivatives of PD 81,723, an allosteric enhancer of agonist binding to the A1-adenosine receptor, have been synthesized and evaluated in an intact cell assay. Compounds 3a, 3o and 3p appeared to be more potent than PD 81,723 and at a concentration of 0.1 microM caused significant reductions of cAMP content of CHO cells expressing the human A1-aden... aid9631.table aid9631.tbin
9632 5 Title: Synthesis and biological effects of a new series of 2-amino-3-benzoylthiophenes as allosteric enhancers of A1-adenosine receptor. Abstract: New derivatives of PD 81,723, an allosteric enhancer of agonist binding to the A1-adenosine receptor, have been synthesized and evaluated in an intact cell assay. Compounds 3a, 3o and 3p appeared to be more potent than PD 81,723 and at a concentration of 0.1 microM caused significant reductions of cAMP content of CHO cells expressing the human A1-aden... aid9632.table aid9632.tbin
9633 10 Title: Synthesis and biological effects of a new series of 2-amino-3-benzoylthiophenes as allosteric enhancers of A1-adenosine receptor. Abstract: New derivatives of PD 81,723, an allosteric enhancer of agonist binding to the A1-adenosine receptor, have been synthesized and evaluated in an intact cell assay. Compounds 3a, 3o and 3p appeared to be more potent than PD 81,723 and at a concentration of 0.1 microM caused significant reductions of cAMP content of CHO cells expressing the human A1-aden... aid9633.table aid9633.tbin
9634 3 Title: The discovery of sulfonamide endothelin antagonists and the development of the orally active ETA antagonist 5-(dimethylamino)-N-(3,4-dimethyl-5-isoxazolyl)-1-naphthalenesulf onamide. aid9634.table aid9634.tbin
9635 2 In vitro potassium channel opening activity in A10 (smooth muscle) cells aid9635.table aid9635.tbin
9636 1 In vitro potassium channel opening activity in A10 (smooth muscle) cells; Inactive aid9636.table aid9636.tbin
9637 1 Title: Arylcyanoguanidines as activators of Kir6.2/SUR1K ATP channels and inhibitors of insulin release. Abstract: Phenylcyanoguanidines substituted with lipophilic electron-withdrawing functional groups, e.g. N-cyano-N'-[3,5-bis-(trifluoromethyl)phenyl]-N''-(cyclopentyl)guanidine (10) and N-cyano-N'-(3,5-dichlorophenyl)-N''-(3-methylbutyl)guanidine (12) were synthesized and investigated for their ability to inhibit insulin release from beta cells, to repolarize beta cell membrane potential, and... aid9637.table aid9637.tbin
9638 1 Title: Arylcyanoguanidines as activators of Kir6.2/SUR1K ATP channels and inhibitors of insulin release. Abstract: Phenylcyanoguanidines substituted with lipophilic electron-withdrawing functional groups, e.g. N-cyano-N'-[3,5-bis-(trifluoromethyl)phenyl]-N''-(cyclopentyl)guanidine (10) and N-cyano-N'-(3,5-dichlorophenyl)-N''-(3-methylbutyl)guanidine (12) were synthesized and investigated for their ability to inhibit insulin release from beta cells, to repolarize beta cell membrane potential, and... aid9638.table aid9638.tbin
9639 4 Title: Synthesis and biological activity of spirocyclic benzopyran imidazolone potassium channel openers. Abstract: A series of novel spirocyclic benzopyran imidazolones were synthesized as rigid analogues of cromakalim. These compounds cause a dose-dependent membrane hyperpolarization of A10 rat aorta cells. This hyperpolarization was blocked by pretreatment with glyburide, indicating that the spirocyclic benzopyran imidazolones were acting by increasing the open probability of ATP-sensitive po... aid9639.table aid9639.tbin
9640 1 Title: Hypoxia-selective antitumor agents. 14. Synthesis and hypoxic cell cytotoxicity of regioisomers of the hypoxia-selective cytotoxin 5-[N,N-bis(2-chloroethyl)amino]-2,4-dinitrobenzamide. Abstract: A series of regioisomers of the novel hypoxia-selective cytotoxin (HSC) 5-[N,N-bis(2-chloroethyl)-amino]-2,4-dinitrobenzamide (2a) have been prepared by displacement of the chloro group from methyl chlorodinitrobenzoates or the corresponding carboxamides with diethanolamine, followed by dimesylati... aid9640.table aid9640.tbin
9641 11 Title: Hypoxia-selective antitumor agents. 8. Bis(nitroimidazolyl)alkanecarboxamides: a new class of hypoxia-selective cytotoxins and hypoxic cell radiosensitisers. Abstract: A series of novel bis(nitroimidazolyl)alkanecarboxamides has been prepared and evaluated for hypoxia-selective cytotoxicity and hypoxic cell radiosensitisation in vitro and in vivo. The compounds were prepared by direct coupling of preformed side chain acid and amine components, using diethyl phosphorocyanidate at room temp... aid9641.table aid9641.tbin
9642 7 Title: DNA-directed alkylating agents. 6. Synthesis and antitumor activity of DNA minor groove-targeted aniline mustard analogues of pibenzimol (Hoechst 33258) Abstract: A series of nitrogen mustard analogues of the DNA minor groove binding fluorophore pibenzimol (Hoechst 33258) have been synthesized and evaluated for antitumor activity. Conventional construction of the bisbenzimidazole ring system from the piperazinyl terminus, via two consecutive Pinner-type reactions, gave low yields of produ... aid9642.table aid9642.tbin
9643 7 Title: Reductive chemistry of the novel hypoxia-selective cytotoxin 5-[N,N-bis(2-chloroethyl)amino]-2,4-dinitrobenzamide. Abstract: 5-[N,N-Bis(2-chloroethyl)amino]-2,4-dinitrobenzamide (1; SN 23862) is a novel bioreductive drug whose selective toxicity for hypoxic cells appears due to oxygen-inhibited enzymatic reduction of one of the nitro groups to the corresponding amine or hydroxylamine. Radiolytic reduction of 1 using up to four reducing equivalents in 1 N sodium formate was shown to procee... aid9643.table aid9643.tbin
9644 3 Title: N-Substituted 2-(2,6-dinitrophenylamino)propanamides: novel prodrugs that release a primary amine via nitroreduction and intramolecular cyclization. Abstract: A series of N-dinitrophenylamino acid amides [(4-CONHZ-2, 6-diNO2Ph)N(R)C(X,Y)CONHPhOMe] were prepared as potential bioreductive prodrugs and reduced radiolytically to study their rates of subsequent intramolecular cyclization. Compounds bearing a free NH group (R = H) underwent rapid cyclization in neutral aqueous buffers (t1/2 &lt... aid9644.table aid9644.tbin
9645 10 Title: Synthesis of 1-substituted 3-(chloromethyl)-6-aminoindoline (6-amino-seco-CI) DNA minor groove alkylating agents and structure-activity relationships for their cytotoxicity. Abstract: A series of racemic 6-amino-seco-cyclopropylindole (seco-CI) compounds was prepared by coupling 1-(tert-butyloxycarbonyl)-3-(chloromethyl)-6-nitroindoline with appropriate acids, followed by nitro group reduction, and evaluated for cytotoxicity in AA8, UV4, EMT6, and SKOV3 cell lines. These compounds are of ... aid9645.table aid9645.tbin
9646 4 Title: Hypoxia-selective antitumor agents. 11. Chlorambucil N-oxide: a reappraisal of its synthesis, stability, and selective toxicity for hypoxic cells. Abstract: The potential hypoxia-selective cytotoxin 4-[4'-[N,N-bis(2&quot;-chloroethyl)amino]phenyl]butanoic acid N-oxide (chlorambucil N-oxide, 4) was synthesized and characterized as its hydrochloride salt. This compound was shown to be unstable, decomposing in some organic solvents to the hydroxylamine 4-[4'-[N-(2&quot;-chloroethoxy)-N-(2&qu... aid9646.table aid9646.tbin
9647 23 Title: Hypoxia-selective antitumor agents. 15. Modification of rate of nitroreduction and extent of lysosomal uptake by polysubstitution of 4-(alkylamino)-5-nitroquinoline bioreductive drugs. Abstract: Studies have shown that 4-(alkylamino)-5-nitroquinolines possess high selectivity (20-60-fold) for hypoxic tumor cells in vitro, but are not active as hypoxia-selective cytotoxins (HSCs) in vivo. The compounds show inadequate rates of extravascular diffusion, likely due both to sequestration of th... aid9647.table aid9647.tbin
9648 16 Title: Unsymmetrical DNA cross-linking agents: combination of the CBI and PBD pharmacophores. Abstract: A set of 10 compounds, each combining the seco-1,2,9,9a-tetrahydrocyclopropa[c]benz[e]indol-4-one (seco-CBI) and pyrrolo[2,1-c][1,4]benzodiazepine (PBD) pharmacophores, was designed and prepared. These compounds were anticipated to cross-link between N3 of adenine and N2 of guanine in the minor groove of DNA. The compounds, which differ in the chain length separating the two alkylation subunit... aid9648.table aid9648.tbin
9649 1 Title: Hypoxia-selective antitumor agents. 14. Synthesis and hypoxic cell cytotoxicity of regioisomers of the hypoxia-selective cytotoxin 5-[N,N-bis(2-chloroethyl)amino]-2,4-dinitrobenzamide. Abstract: A series of regioisomers of the novel hypoxia-selective cytotoxin (HSC) 5-[N,N-bis(2-chloroethyl)-amino]-2,4-dinitrobenzamide (2a) have been prepared by displacement of the chloro group from methyl chlorodinitrobenzoates or the corresponding carboxamides with diethanolamine, followed by dimesylati... aid9649.table aid9649.tbin
9650 14 Title: Hypoxia-selective antitumor agents. 13. Effects of acridine substitution on the hypoxia-selective cytotoxicity and metabolic reduction of the bis-bioreductive agent nitracrine N-oxide. Abstract: A series of nuclear-substituted derivatives of nitracrine N-oxide (2; a bis-bioreductive hypoxia-selective cytotoxin) were prepared and evaluated, seeking analogues of lower nitroacridine reduction potential. Disubstitution with Me or OMe groups at the 4- and 5-positions did not provide analogues ... aid9650.table aid9650.tbin
9651 1 Title: DNA-directed alkylating agents. 1. Structure-activity relationships for acridine-linked aniline mustards: consequences of varying the reactivity of the mustard. Abstract: A series of DNA-targeted aniline mustards have been prepared, and their chemical reactivity and in vitro and in vivo cytotoxicity have been evaluated and compared with that of the corresponding simple aniline mustards. The alkylating groups were anchored to the DNA-intercalating 9-aminoacridine chromophore by an alkyl ch... aid9651.table aid9651.tbin
9652 14 Title: DNA-directed alkylating agents. 1. Structure-activity relationships for acridine-linked aniline mustards: consequences of varying the reactivity of the mustard. Abstract: A series of DNA-targeted aniline mustards have been prepared, and their chemical reactivity and in vitro and in vivo cytotoxicity have been evaluated and compared with that of the corresponding simple aniline mustards. The alkylating groups were anchored to the DNA-intercalating 9-aminoacridine chromophore by an alkyl ch... aid9652.table aid9652.tbin
9653 1 Title: DNA-directed alkylating agents. 1. Structure-activity relationships for acridine-linked aniline mustards: consequences of varying the reactivity of the mustard. Abstract: A series of DNA-targeted aniline mustards have been prepared, and their chemical reactivity and in vitro and in vivo cytotoxicity have been evaluated and compared with that of the corresponding simple aniline mustards. The alkylating groups were anchored to the DNA-intercalating 9-aminoacridine chromophore by an alkyl ch... aid9653.table aid9653.tbin
9654 18 Title: 5-Amino-1-(chloromethyl)-1,2-dihydro-3H-benz[e]indoles: relationships between structure and cytotoxicity for analogues bearing different DNA minor groove binding subunits. Abstract: A series of 5-amino-seco-CBI compounds, designed for use as effectors for prodrugs, were prepared to study structure-activity relationships for the cytotoxicity of side chain analogues. Compounds were prepared by coupling 1-(chloromethyl)-5-nitro-1, 2-dihydro-3H-benz[e]indole to appropriate carboxylic acids, f... aid9654.table aid9654.tbin
9655 27 Title: DNA-directed alkylating agents. 3. Structure-activity relationships for acridine-linked aniline mustards: consequences of varying the length of the linker chain. Abstract: Four series of acridine-linked aniline mustards have been prepared and evaluated for in vitro cytotoxicity, in vivo antitumor activity, and DNA cross-linking ability. The anilines were attached to the DNA-intercalating acridine chromophores by link groups (-O-, -CH2-, -S-, and -SO2-) of widely varying electronic propert... aid9655.table aid9655.tbin
9656 2 Title: DNA-directed alkylating agents. 6. Synthesis and antitumor activity of DNA minor groove-targeted aniline mustard analogues of pibenzimol (Hoechst 33258) Abstract: A series of nitrogen mustard analogues of the DNA minor groove binding fluorophore pibenzimol (Hoechst 33258) have been synthesized and evaluated for antitumor activity. Conventional construction of the bisbenzimidazole ring system from the piperazinyl terminus, via two consecutive Pinner-type reactions, gave low yields of produ... aid9656.table aid9656.tbin
9657 1 Title: Hypoxia-selective antitumor agents. 8. Bis(nitroimidazolyl)alkanecarboxamides: a new class of hypoxia-selective cytotoxins and hypoxic cell radiosensitisers. Abstract: A series of novel bis(nitroimidazolyl)alkanecarboxamides has been prepared and evaluated for hypoxia-selective cytotoxicity and hypoxic cell radiosensitisation in vitro and in vivo. The compounds were prepared by direct coupling of preformed side chain acid and amine components, using diethyl phosphorocyanidate at room temp... aid9657.table aid9657.tbin
9658 1 Title: Hypoxia-selective antitumor agents. 8. Bis(nitroimidazolyl)alkanecarboxamides: a new class of hypoxia-selective cytotoxins and hypoxic cell radiosensitisers. Abstract: A series of novel bis(nitroimidazolyl)alkanecarboxamides has been prepared and evaluated for hypoxia-selective cytotoxicity and hypoxic cell radiosensitisation in vitro and in vivo. The compounds were prepared by direct coupling of preformed side chain acid and amine components, using diethyl phosphorocyanidate at room temp... aid9658.table aid9658.tbin
9659 9 Title: Hypoxia-selective antitumor agents. 8. Bis(nitroimidazolyl)alkanecarboxamides: a new class of hypoxia-selective cytotoxins and hypoxic cell radiosensitisers. Abstract: A series of novel bis(nitroimidazolyl)alkanecarboxamides has been prepared and evaluated for hypoxia-selective cytotoxicity and hypoxic cell radiosensitisation in vitro and in vivo. The compounds were prepared by direct coupling of preformed side chain acid and amine components, using diethyl phosphorocyanidate at room temp... aid9659.table aid9659.tbin
9660 11 Compound was evaluated for cytotoxicity against CHO AA8 cell lines for 4 hr at pH-7.4 aid9660.table aid9660.tbin
9661 2 Title: Synthesis and evaluation of DNA-targeted spatially separated bis(aniline mustards) as potential alkylating agents with enhanced DNA cross-linking capability. Abstract: DNA-targeted separated bis-mustards were synthesized by attaching aniline mono-mustards at the 4- and 9-positions of the DNA-intercalating ligand 9-aminoacridine-4-carboxamide, with the intention of improving the low cross-link to monoadduct ratio found with most alkylating agents. The geometry of these compounds requires t... aid9661.table aid9661.tbin
9662 5 Title: Synthesis and evaluation of DNA-targeted spatially separated bis(aniline mustards) as potential alkylating agents with enhanced DNA cross-linking capability. Abstract: DNA-targeted separated bis-mustards were synthesized by attaching aniline mono-mustards at the 4- and 9-positions of the DNA-intercalating ligand 9-aminoacridine-4-carboxamide, with the intention of improving the low cross-link to monoadduct ratio found with most alkylating agents. The geometry of these compounds requires t... aid9662.table aid9662.tbin
9663 1 Title: Hypoxia-selective antitumor agents. 6. 4-(Alkylamino)nitroquinolines: a new class of hypoxia-selective cytotoxins. Abstract: A series of isomeric 4-[[3-(dimethylamino)propyl]amino]nitroquinolines has been synthesized and evaluated as hypoxia-selective cytotoxins and as radiosensitizers of hypoxic cells. The compounds showed widely-differing hypersensitivity factors (ratios of cytotoxicity against wild-type and repair-deficient mammalian cells). Many compounds showed oxygen-sensitive biore... aid9663.table aid9663.tbin
9664 14 Title: Hypoxia-selective antitumor agents. 6. 4-(Alkylamino)nitroquinolines: a new class of hypoxia-selective cytotoxins. Abstract: A series of isomeric 4-[[3-(dimethylamino)propyl]amino]nitroquinolines has been synthesized and evaluated as hypoxia-selective cytotoxins and as radiosensitizers of hypoxic cells. The compounds showed widely-differing hypersensitivity factors (ratios of cytotoxicity against wild-type and repair-deficient mammalian cells). Many compounds showed oxygen-sensitive biore... aid9664.table aid9664.tbin
9665 1 Title: Nitrobenzyl carbamate prodrugs of enediynes for nitroreductase gene-directed enzyme prodrug therapy (GDEPT). Abstract: The synthesis and evaluation of the 4-nitrobenzylcarbamate enediyne 6 and related compounds as prodrugs activated by a nitroreductase enzyme (NTR) from E. coli B is described. Expression of NTR in three different cell lines gives increases in cytotoxicity of 21- to 135-fold for 6 (IC50 values 13-24 nM in the NTR-expressing lines), indicating its potential as a prodrug for... aid9665.table aid9665.tbin
9666 2 Title: Nitrobenzyl carbamate prodrugs of enediynes for nitroreductase gene-directed enzyme prodrug therapy (GDEPT). Abstract: The synthesis and evaluation of the 4-nitrobenzylcarbamate enediyne 6 and related compounds as prodrugs activated by a nitroreductase enzyme (NTR) from E. coli B is described. Expression of NTR in three different cell lines gives increases in cytotoxicity of 21- to 135-fold for 6 (IC50 values 13-24 nM in the NTR-expressing lines), indicating its potential as a prodrug for... aid9666.table aid9666.tbin
9667 1 Title: Nitrobenzyl carbamate prodrugs of enediynes for nitroreductase gene-directed enzyme prodrug therapy (GDEPT). Abstract: The synthesis and evaluation of the 4-nitrobenzylcarbamate enediyne 6 and related compounds as prodrugs activated by a nitroreductase enzyme (NTR) from E. coli B is described. Expression of NTR in three different cell lines gives increases in cytotoxicity of 21- to 135-fold for 6 (IC50 values 13-24 nM in the NTR-expressing lines), indicating its potential as a prodrug for... aid9667.table aid9667.tbin
9668 1 Title: Nitrobenzyl carbamate prodrugs of enediynes for nitroreductase gene-directed enzyme prodrug therapy (GDEPT). Abstract: The synthesis and evaluation of the 4-nitrobenzylcarbamate enediyne 6 and related compounds as prodrugs activated by a nitroreductase enzyme (NTR) from E. coli B is described. Expression of NTR in three different cell lines gives increases in cytotoxicity of 21- to 135-fold for 6 (IC50 values 13-24 nM in the NTR-expressing lines), indicating its potential as a prodrug for... aid9668.table aid9668.tbin
9669 2 Title: Nitrobenzyl carbamate prodrugs of enediynes for nitroreductase gene-directed enzyme prodrug therapy (GDEPT). Abstract: The synthesis and evaluation of the 4-nitrobenzylcarbamate enediyne 6 and related compounds as prodrugs activated by a nitroreductase enzyme (NTR) from E. coli B is described. Expression of NTR in three different cell lines gives increases in cytotoxicity of 21- to 135-fold for 6 (IC50 values 13-24 nM in the NTR-expressing lines), indicating its potential as a prodrug for... aid9669.table aid9669.tbin
9670 1 Title: Nitrobenzyl carbamate prodrugs of enediynes for nitroreductase gene-directed enzyme prodrug therapy (GDEPT). Abstract: The synthesis and evaluation of the 4-nitrobenzylcarbamate enediyne 6 and related compounds as prodrugs activated by a nitroreductase enzyme (NTR) from E. coli B is described. Expression of NTR in three different cell lines gives increases in cytotoxicity of 21- to 135-fold for 6 (IC50 values 13-24 nM in the NTR-expressing lines), indicating its potential as a prodrug for... aid9670.table aid9670.tbin
9671 1 Title: Nitrobenzyl carbamate prodrugs of enediynes for nitroreductase gene-directed enzyme prodrug therapy (GDEPT). Abstract: The synthesis and evaluation of the 4-nitrobenzylcarbamate enediyne 6 and related compounds as prodrugs activated by a nitroreductase enzyme (NTR) from E. coli B is described. Expression of NTR in three different cell lines gives increases in cytotoxicity of 21- to 135-fold for 6 (IC50 values 13-24 nM in the NTR-expressing lines), indicating its potential as a prodrug for... aid9671.table aid9671.tbin
9672 23 Title: Hypoxia-selective antitumor agents. 6. 4-(Alkylamino)nitroquinolines: a new class of hypoxia-selective cytotoxins. Abstract: A series of isomeric 4-[[3-(dimethylamino)propyl]amino]nitroquinolines has been synthesized and evaluated as hypoxia-selective cytotoxins and as radiosensitizers of hypoxic cells. The compounds showed widely-differing hypersensitivity factors (ratios of cytotoxicity against wild-type and repair-deficient mammalian cells). Many compounds showed oxygen-sensitive biore... aid9672.table aid9672.tbin
9673 1 Title: Synthesis and hypoxia-selective cytotoxicity of a 2-nitroimidazole mustard. Abstract: A four-step synthesis of 5-[N,N-bis(2-chloroethyl)amino]-1-methyl-2-nitroimidazole from 1-methyl-2-nitroimidazole is described. This compound showed similar hypoxia-selective cytotoxicity to the dinitrobenzamide mustard SN 23,862 in UV4 cells (ca. 40-fold), and superior selectivity (&gt; 7-fold) in repair-competent AA8 cells. aid9673.table aid9673.tbin
9674 15 Title: Hypoxia-selective antitumor agents. 4. Relationships between structure, physicochemical properties, and hypoxia-selective cytotoxicity for nitracrine analogues with varying side chains: the &quot;iminoacridan hypothesis&quot;. Abstract: The nitroacridine derivative nitracrine is a potent hypoxia-selective cytotoxin for mammalian cells in culture. In an attempt to modulate the degree of hypoxia selectivity among this class of compounds, we have studied a series of side-chain analogues of n... aid9674.table aid9674.tbin
9675 13 Title: Hypoxia-selective antitumor agents. 4. Relationships between structure, physicochemical properties, and hypoxia-selective cytotoxicity for nitracrine analogues with varying side chains: the &quot;iminoacridan hypothesis&quot;. Abstract: The nitroacridine derivative nitracrine is a potent hypoxia-selective cytotoxin for mammalian cells in culture. In an attempt to modulate the degree of hypoxia selectivity among this class of compounds, we have studied a series of side-chain analogues of n... aid9675.table aid9675.tbin
9676 1 Title: Hypoxia-selective antitumor agents. 4. Relationships between structure, physicochemical properties, and hypoxia-selective cytotoxicity for nitracrine analogues with varying side chains: the &quot;iminoacridan hypothesis&quot;. Abstract: The nitroacridine derivative nitracrine is a potent hypoxia-selective cytotoxin for mammalian cells in culture. In an attempt to modulate the degree of hypoxia selectivity among this class of compounds, we have studied a series of side-chain analogues of n... aid9676.table aid9676.tbin
9677 1 Title: Hypoxia-selective antitumor agents. 4. Relationships between structure, physicochemical properties, and hypoxia-selective cytotoxicity for nitracrine analogues with varying side chains: the &quot;iminoacridan hypothesis&quot;. Abstract: The nitroacridine derivative nitracrine is a potent hypoxia-selective cytotoxin for mammalian cells in culture. In an attempt to modulate the degree of hypoxia selectivity among this class of compounds, we have studied a series of side-chain analogues of n... aid9677.table aid9677.tbin
9678 10 Title: Hypoxia-selective antitumor agents. 16. Nitroarylmethyl quaternary salts as bioreductive prodrugs of the alkylating agent mechlorethamine. Abstract: Nitrobenzyl quaternary salts of nitrogen mustards have been previously reported as hypoxia-selective cytotoxins. In this paper we describe the synthesis and evaluation of a series of heterocyclic analogues, including pyrrole, imidazole, thiophene, and pyrazole examples, chosen to cover a range of one-electron reduction potentials (from -277 t... aid9678.table aid9678.tbin
9679 4 Title: Synthesis and hypoxia-selective cytotoxicity of a 2-nitroimidazole mustard. Abstract: A four-step synthesis of 5-[N,N-bis(2-chloroethyl)amino]-1-methyl-2-nitroimidazole from 1-methyl-2-nitroimidazole is described. This compound showed similar hypoxia-selective cytotoxicity to the dinitrobenzamide mustard SN 23,862 in UV4 cells (ca. 40-fold), and superior selectivity (&gt; 7-fold) in repair-competent AA8 cells. aid9679.table aid9679.tbin
9680 2 Title: DNA-directed alkylating agents. 4. 4-anilinoquinoline-based minor groove directed aniline mustards. Abstract: A series of 4-anilinoquinoline-linked aniline mustards of widely varying mustard reactivity were prepared and evaluated for their antitumor activity. The compounds were designed as minor grove binding agents, where the aniline mustard ring is itself part of the DNA-binding ligand. While there was a general trend for cytotoxicity to correlate with mustard reactivity, this was much ... aid9680.table aid9680.tbin
9681 4 Title: Nitrobenzyl mustard quaternary salts: a new class of hypoxia-selective cytotoxins showing very high in vitro selectivity. aid9681.table aid9681.tbin
9682 8 Concentration required for 50% inhibition of growth of AA8 cells following 4 hr drug exposure aid9682.table aid9682.tbin
9683 1 Title: Structure-based design, synthesis, and biological evaluation of irreversible human rhinovirus 3C protease inhibitors. 6. Structure-activity studies of orally bioavailable, 2-pyridone-containing peptidomimetics. Abstract: The structure-based design, chemical synthesis, and biological evaluation of various 2-pyridone-containing human rhinovirus (HRV) 3C protease (3CP) inhibitors are described. These compounds are comprised of a peptidomimetic binding determinant and a Michael acceptor moiet... aid9683.table aid9683.tbin
9684 1 Title: Structure-based design, synthesis, and biological evaluation of irreversible human rhinovirus 3C protease inhibitors. 6. Structure-activity studies of orally bioavailable, 2-pyridone-containing peptidomimetics. Abstract: The structure-based design, chemical synthesis, and biological evaluation of various 2-pyridone-containing human rhinovirus (HRV) 3C protease (3CP) inhibitors are described. These compounds are comprised of a peptidomimetic binding determinant and a Michael acceptor moiet... aid9684.table aid9684.tbin
9685 1 Title: Inhibitors of cyclic AMP phosphodiesterase. 4. Synthesis and evaluation of potential prodrugs of lixazinone (N-cyclohexyl-N-methyl-4-[(1,2,3,5-tetrahydro-2- oxoimidazo[2,1-b]quinazolin-7-yl)-oxy]butyramide, RS-82856). Abstract: The cyclic AMP phosphodiesterase (cAMP PDE) inhibitor and cardiotonic agent lixazinone (N-cyclohexyl-N-methyl-4-[(1,2,3,5-tetrahydro-2- oxoimidazo[2,1-b]quinazolin-7-yl)oxy]butyramide, RS-82856, 1) and its acid and base addition salts were found to be insufficientl... aid9685.table aid9685.tbin
9686 1 Title: Inhibitors of cyclic AMP phosphodiesterase. 4. Synthesis and evaluation of potential prodrugs of lixazinone (N-cyclohexyl-N-methyl-4-[(1,2,3,5-tetrahydro-2- oxoimidazo[2,1-b]quinazolin-7-yl)-oxy]butyramide, RS-82856). Abstract: The cyclic AMP phosphodiesterase (cAMP PDE) inhibitor and cardiotonic agent lixazinone (N-cyclohexyl-N-methyl-4-[(1,2,3,5-tetrahydro-2- oxoimidazo[2,1-b]quinazolin-7-yl)oxy]butyramide, RS-82856, 1) and its acid and base addition salts were found to be insufficientl... aid9686.table aid9686.tbin
9687 1 Title: Inhibitors of cyclic AMP phosphodiesterase. 4. Synthesis and evaluation of potential prodrugs of lixazinone (N-cyclohexyl-N-methyl-4-[(1,2,3,5-tetrahydro-2- oxoimidazo[2,1-b]quinazolin-7-yl)-oxy]butyramide, RS-82856). Abstract: The cyclic AMP phosphodiesterase (cAMP PDE) inhibitor and cardiotonic agent lixazinone (N-cyclohexyl-N-methyl-4-[(1,2,3,5-tetrahydro-2- oxoimidazo[2,1-b]quinazolin-7-yl)oxy]butyramide, RS-82856, 1) and its acid and base addition salts were found to be insufficientl... aid9687.table aid9687.tbin
9688 1 Title: Inhibitors of cyclic AMP phosphodiesterase. 4. Synthesis and evaluation of potential prodrugs of lixazinone (N-cyclohexyl-N-methyl-4-[(1,2,3,5-tetrahydro-2- oxoimidazo[2,1-b]quinazolin-7-yl)-oxy]butyramide, RS-82856). Abstract: The cyclic AMP phosphodiesterase (cAMP PDE) inhibitor and cardiotonic agent lixazinone (N-cyclohexyl-N-methyl-4-[(1,2,3,5-tetrahydro-2- oxoimidazo[2,1-b]quinazolin-7-yl)oxy]butyramide, RS-82856, 1) and its acid and base addition salts were found to be insufficientl... aid9688.table aid9688.tbin
9689 1 Title: Structure-based design, synthesis, and biological evaluation of irreversible human rhinovirus 3C protease inhibitors. 6. Structure-activity studies of orally bioavailable, 2-pyridone-containing peptidomimetics. Abstract: The structure-based design, chemical synthesis, and biological evaluation of various 2-pyridone-containing human rhinovirus (HRV) 3C protease (3CP) inhibitors are described. These compounds are comprised of a peptidomimetic binding determinant and a Michael acceptor moiet... aid9689.table aid9689.tbin
9690 1 Title: Structure-based design, synthesis, and biological evaluation of irreversible human rhinovirus 3C protease inhibitors. 6. Structure-activity studies of orally bioavailable, 2-pyridone-containing peptidomimetics. Abstract: The structure-based design, chemical synthesis, and biological evaluation of various 2-pyridone-containing human rhinovirus (HRV) 3C protease (3CP) inhibitors are described. These compounds are comprised of a peptidomimetic binding determinant and a Michael acceptor moiet... aid9690.table aid9690.tbin
9691 3 Title: Orally bioavailable nonpeptide vitronectin receptor antagonists containing 2-aminopyridine arginine mimetics. Abstract: A peptide RGD analog containing a novel 2-aminopyridine arginine mimetic was discovered to have good affinity and selectivity for the vitronectin receptor. Incorporation of the 2-aminopyridine arginine mimetic into the 3-oxo-1,4-benzodiazepine-2-acetic acid integrin antagonist series led to novel and potent nonpeptide vitronectin receptor antagonists with promising level... aid9691.table aid9691.tbin
9692 6 Title: Non-peptide alpha(v)beta(3) antagonists. Part 4: potent and orally bioavailable chain-shortened RGD mimetics. Abstract: Potent non-peptidic alpha(v)beta(3) antagonists have been prepared where deletion of an amide bond from an earlier series of linear RGD-mimetics provides a novel series of chain-shortened alpha(v)beta(3) antagonists with significantly improved oral pharmacokinetics. These chain-shortened alpha(v)beta(3) antagonists represent structurally novel integrin inhibitors. aid9692.table aid9692.tbin
9693 4 Title: Novel CCR1 antagonists with improved metabolic stability. Abstract: The synthesis, biological activity, and pharmacokinetic profile of novel CCR1 antagonists are described. aid9693.table aid9693.tbin
9694 1 Title: Discovery and evaluation of potent P1 aryl heterocycle-based thrombin inhibitors. Abstract: In an effort to discover potent, clinically useful thrombin inhibitors, a rapid analogue synthetic approach was used to explore the P(1) region. Various benzylamines were coupled to a pyridine/pyrazinone P(2)-P(3) template. One compound with an o-thiadiazole benzylic substitution was found to have a thrombin K(i) of 0.84 nM. A study of ortho-substituted five-membered-ring heterocycles was undertake... aid9694.table aid9694.tbin
9695 4 Title: Nonpeptide alphavbeta3 antagonists. 8. In vitro and in vivo evaluation of a potent alphavbeta3 antagonist for the prevention and treatment of osteoporosis. Abstract: 3(S)-(6-methoxypyridin-3-yl)-3-[2-oxo-3-[3-(5,6,7,8-tetrahydro-[1,8]-naphthyridin-2-yl)propyl]imidazolidin-1-yl]propionic acid 6 was identified as a potent and selective antagonist of the alpha(v)beta(3) receptor. This compound has an excellent in vitro profile (IC(50) = 0.08 nM), a significant unbound fraction in human plasm... aid9695.table aid9695.tbin
9696 2 Title: The discovery of a potent, intracellular, orally bioavailable, long duration inhibitor of human neutrophil elastase--GW311616A a development candidate. Abstract: The discovery of a potent intracellular inhibitor of human neutrophil elastase which is orally active and has a long duration of action is described. The pharmacodynamic and pharmacokinetic properties of a trans-lactam development candidate, GW311616A, are described. aid9696.table aid9696.tbin
9697 5 Title: Non-peptide alpha(v)beta(3) antagonists. Part 5: identification of potent RGD mimetics incorporating 2-aryl beta-amino acids as aspartic acid replacements. Abstract: A series of novel, highly potent alpha(v)beta(3) receptor antagonists with favorable pharmacokinetic profiles has been identified. In this series of antagonists, 2-aryl beta-amino acids function as potent aspartic acid replacements. aid9697.table aid9697.tbin
9698 3 Title: Substituted acrylamides as factor Xa inhibitors: improving bioavailability by P1 modification. Abstract: To overcome the low bioavailability of our substituted acrylamide P1 benzamidine factor Xa inhibitors reported previously, neutral and less basic groups were used to replace the benzamidine. As a result, a series of P1 aminoisoquinoline substituted acrylamide Xa inhibitors was identified to be potent, selective, and orally bioavailable. Modification of P4 moiety of these compounds furt... aid9698.table aid9698.tbin
9699 5 Title: Oxyguanidines. Part 2: Discovery of a novel orally active thrombin inhibitor through structure-based drug design and parallel synthesis. Abstract: Through structure-based drug design and parallel synthesis, we have discovered a novel series of nonpeptidic phenyl-based thrombin inhibitors using oxyguanidines as guanidine bioisosteres. These compounds have been found to be highly potent, highly selective, and orally bioavailable. aid9699.table aid9699.tbin
9700 29 Title: Non-covalent thrombin inhibitors featuring P3-heterocycles with P1-bicyclic arginine surrogates. Abstract: Novel, potent, and highly selective classes of thrombin inhibitors were identified, which resulted from judicious combination of P4-aromatics and P2-P3-heterocyclic dipeptide surrogates with weakly basic (calcd pKa approximately non-basic-8.6) bicyclic P1-arginine mimics. The design, synthesis, and biological activity of achiral, non-covalent, orally bioavailable inhibitors NC1-NC44 ... aid9700.table aid9700.tbin
9701 1 Half life was evaluated in dog aid9701.table aid9701.tbin
9702 2 Title: Novel 3-oxa lipoxin A4 analogues with enhanced chemical and metabolic stability have anti-inflammatory activity in vivo. Abstract: Lipoxin A(4) (LXA(4)) is a structurally and functionally distinct natural product called an eicosanoid, which displays immunomodulatory and anti-inflammatory activity but is rapidly metabolized to inactive catabolites in vivo. A previously described analogue of LXA(4), methyl (5R,6R,7E,9E,11Z,13E,15S)-16-(4-fluorophenoxy)-5,6,15-trihydroxy-7,9,11,13-hexadecate... aid9702.table aid9702.tbin
9703 2 Title: Novel 3-oxa lipoxin A4 analogues with enhanced chemical and metabolic stability have anti-inflammatory activity in vivo. Abstract: Lipoxin A(4) (LXA(4)) is a structurally and functionally distinct natural product called an eicosanoid, which displays immunomodulatory and anti-inflammatory activity but is rapidly metabolized to inactive catabolites in vivo. A previously described analogue of LXA(4), methyl (5R,6R,7E,9E,11Z,13E,15S)-16-(4-fluorophenoxy)-5,6,15-trihydroxy-7,9,11,13-hexadecate... aid9703.table aid9703.tbin
9704 1 Title: Synthesis, antiviral activity and pharmacokinetics of P1/P1' substituted 3-aminoindazole cyclic urea HIV protease inhibitors. Abstract: A series of P1/P1' substituted cyclic urea analogues were prepared in an attempt to increase the intra-cellular antiviral potency of the nonsymmetrical 3-aminoindazoles DMP 850 and DMP 851. The effect of alkyl substitution of the P1/P1' residues on cellular antiviral potency, protein binding, resistance profile and pharmacokinetics are described. aid9704.table aid9704.tbin
9705 1 Title: Synthesis, antiviral activity and pharmacokinetics of P1/P1' substituted 3-aminoindazole cyclic urea HIV protease inhibitors. Abstract: A series of P1/P1' substituted cyclic urea analogues were prepared in an attempt to increase the intra-cellular antiviral potency of the nonsymmetrical 3-aminoindazoles DMP 850 and DMP 851. The effect of alkyl substitution of the P1/P1' residues on cellular antiviral potency, protein binding, resistance profile and pharmacokinetics are described. aid9705.table aid9705.tbin
9706 2 Title: Synthesis, pharmacology and pharmacokinetics of 3-(4-aryl-piperazin-1-ylalkyl)-uracils as uroselective alpha1A-antagonists. Abstract: Predominance in the urethra and prostate of the alpha(1A)-adrenoceptor subtype, which is believed to be the receptor mediating noradrenaline induced smooth muscle contraction in these tissues, led to the preparation of alpha(1A)-selective antagonists to be tested as uroselective compounds for the treatment of benign prostatic hyperplasia. Thus, a number of ... aid9706.table aid9706.tbin
9707 2 Title: Synthesis, pharmacology and pharmacokinetics of 3-(4-aryl-piperazin-1-ylalkyl)-uracils as uroselective alpha1A-antagonists. Abstract: Predominance in the urethra and prostate of the alpha(1A)-adrenoceptor subtype, which is believed to be the receptor mediating noradrenaline induced smooth muscle contraction in these tissues, led to the preparation of alpha(1A)-selective antagonists to be tested as uroselective compounds for the treatment of benign prostatic hyperplasia. Thus, a number of ... aid9707.table aid9707.tbin
9708 3 Title: Synthesis, antiviral activity and pharmacokinetics of P1/P1' substituted 3-aminoindazole cyclic urea HIV protease inhibitors. Abstract: A series of P1/P1' substituted cyclic urea analogues were prepared in an attempt to increase the intra-cellular antiviral potency of the nonsymmetrical 3-aminoindazoles DMP 850 and DMP 851. The effect of alkyl substitution of the P1/P1' residues on cellular antiviral potency, protein binding, resistance profile and pharmacokinetics are described. aid9708.table aid9708.tbin
9709 1 Title: 3-amino-4-sulfonylpyridinone acetamide and related pyridothiadiazine thrombin inhibitors. Abstract: We describe a series of highly potent and efficacious thrombin inhibitors based on a 3-amino-4-sulfonylpyridinone acetamide template. The functionally dense sulfonyl group stabilizes the aminopyridinone, conformationally constrains the 4-substituent, and forms a hydrogen bond to the insertion loop tyrosine OH. We also describe a related series of fused bicyclic dihydrothiadiazinedioxide der... aid9709.table aid9709.tbin
9710 1 Half life period was evaluated against Beagle dog at a dose of 15 mg/kg after po administration aid9710.table aid9710.tbin
9711 2 Title: Non-peptide alpha v beta 3 antagonists. Part 7: 3-Substituted tetrahydro-naphthyridine derivatives. Abstract: A series of 3-substituted tetrahydro-[1,8]naphthyridine containing alpha(v)beta(3) antagonists was prepared. A comparison of their in vitro IC(50) values to the electron properties of the 3-substituents revealed a good linear Hammett correlation (rho=-1.96, R(2)=0.959). Electron-withdrawing groups at the 3-position of the tetrahydro-[1,8]naphthyridine decreased potency while elect... aid9711.table aid9711.tbin
9712 1 Half-life in dog plasma aid9712.table aid9712.tbin
9713 2 Title: NR2B-selective N-methyl-D-aspartate antagonists: synthesis and evaluation of 5-substituted benzimidazoles. Abstract: Two classes of 5-substituted benzimidazoles were identified as potent antagonists of the NR2B subtype of the N-methyl-d-aspartate (NMDA) receptor. Selected compounds show very good selectivity versus the NR2A, NR2C, and NR2D subtypes of the NMDA receptor as well as versus hERG-channel activity and alpha(1)-adrenergic binding. Benzimidazole 37a shows excellent activity in th... aid9713.table aid9713.tbin
9714 11 Title: Design, synthesis, and biological activity of 4-[(4-cyano-2-arylbenzyloxy)-(3-methyl-3H-imidazol-4-yl)methyl]benzonitriles as potent and selective farnesyltransferase inhibitors. Abstract: A novel series of 4-[(4-cyano-2-arylbenzyloxy)-(3-methyl-3H-imidazol-4-yl)methyl]benzonitriles have been synthesized as selective farnesyltransferase inhibitors using structure-based design. X-ray cocrystal structures of compound 20-FTase-HFP and A313326-FTase-HFP confirmed our initial design. The decre... aid9714.table aid9714.tbin
9715 1 Title: Design, synthesis, and biological activity of 4-[(4-cyano-2-arylbenzyloxy)-(3-methyl-3H-imidazol-4-yl)methyl]benzonitriles as potent and selective farnesyltransferase inhibitors. Abstract: A novel series of 4-[(4-cyano-2-arylbenzyloxy)-(3-methyl-3H-imidazol-4-yl)methyl]benzonitriles have been synthesized as selective farnesyltransferase inhibitors using structure-based design. X-ray cocrystal structures of compound 20-FTase-HFP and A313326-FTase-HFP confirmed our initial design. The decre... aid9715.table aid9715.tbin
9716 1 Title: Indazolylamino quinazolines and pyridopyrimidines as inhibitors of the EGFr and C-erbB-2. Abstract: Described herein is the design and synthesis of indazolylaminopyridopyrimidines and quinazolines as inhibitors of the class 1 tyrosine kinase receptor family. Data is presented for N(4)-(1-benzyl-1H-indazol-5-yl)-N(6),N(6)-dimethylpyrido[3,4-d]pyrimidine-4,6-diamine 3B. This compound inhibited EGFr and c-erbB-2 enzymes selectively over other kinases. It inhibited the proliferation of a rang... aid9716.table aid9716.tbin
9717 6 Title: Non-peptide alpha(v)beta(3) antagonists: identification of potent, chain-shortened RGD mimetics that incorporate a central pyrrolidinone constraint. Abstract: Antagonists of the integrin receptor alpha(v)beta(3) are expected to have utility in the treatment of osteoporosis through inhibition of bone resorption. A series of potent, chain-shortened, pyrrolidinone-containing alpha(v)beta(3) receptor antagonists is described. Two sets of diasteromeric pairs of high-affinity antagonists demons... aid9717.table aid9717.tbin
9718 4 Title: Dihydropyrimidines: novel calcium antagonists with potent and long-lasting vasodilative and antihypertensive activity. Abstract: The novel calcium antagonists 3-N-substituted-3,4-dihydropyrimidines 1 and 9 and 3-N-substituted-dihydro-pyrimidin-2(1H)-ones 8 were regioselectively synthesized in good yields. Compounds 1 [especially 1s [R1 = (CH2)2N(benzyl)(2-naphthylmethyl), R2 = i-Pr, X = 0-NO2] and 1t [R1 = (CH2)2N(benzyl)(3,4-dichlorobenzyl), R2 = i-Pr, X = 0-NO2]] exhibited not only more... aid9718.table aid9718.tbin
9719 1 Title: Discovery and biological characterization of capromorelin analogues with extended half-lives. Abstract: New tert-butyl, picolyl and fluorinated analogues of capromorelin (3), a short-acting growth hormone secretagogue (GHS), were prepared as part of a program to identify long-acting GHSs that increase 24-h plasma IGF-1 levels. Compounds 4c and 4d (ACD LogD values &gt;or=2.9) displayed extended plasma elimination half-lives in dogs, primarily due to high volumes of distribution, but showed... aid9719.table aid9719.tbin
9720 6 Title: Discovery and biological characterization of capromorelin analogues with extended half-lives. Abstract: New tert-butyl, picolyl and fluorinated analogues of capromorelin (3), a short-acting growth hormone secretagogue (GHS), were prepared as part of a program to identify long-acting GHSs that increase 24-h plasma IGF-1 levels. Compounds 4c and 4d (ACD LogD values &gt;or=2.9) displayed extended plasma elimination half-lives in dogs, primarily due to high volumes of distribution, but showed... aid9720.table aid9720.tbin
9721 1 Plasma half life was evaluated aid9721.table aid9721.tbin
9722 1 Plasma half life was evaluated in Dog aid9722.table aid9722.tbin
9723 1 Plasma half life was evaluated in dog aid9723.table aid9723.tbin
9724 17 Title: Discovery of a potent, selective and orally active canine COX-2 inhibitor, 2-(3-difluoromethyl-5-phenyl-pyrazol-1-yl)-5-methanesulfonyl-pyridine. Abstract: Structure-activity relationship (SAR) studies of 2-[3-di(and tri)fluoromethyl-5-arylpyrazol-1-yl]-5-methanesulfonylpyridine derivatives for canine COX enzymes are described. This led to the identification of 12a as a lead candidate for further progression. The in vitro and in vivo activity of 12a for the canine COX-2 enzyme as well as ... aid9724.table aid9724.tbin
9725 1 Title: Design, synthesis and biological activity of novel non-amidine factor Xa inhibitors. Part 1: P(1) structure-activity relationships of the substituted 1-(2-Naphthyl)-1H-pyrazole-5-carboxylamides. Abstract: Based on DuPont Pharmaceuticals' monobenzamidine lead structure SN429, we have designed the biphenyl 1-(2-naphthyl)-1H-pyrazole-5-carboxylamides as a novel series of non-basic factor Xa inhibitors. We have discovered that the displacement of the benzamidine moiety with substituted 2-naph... aid9725.table aid9725.tbin
9726 1 Title: The discovery of a potent, intracellular, orally bioavailable, long duration inhibitor of human neutrophil elastase--GW311616A a development candidate. Abstract: The discovery of a potent intracellular inhibitor of human neutrophil elastase which is orally active and has a long duration of action is described. The pharmacodynamic and pharmacokinetic properties of a trans-lactam development candidate, GW311616A, are described. aid9726.table aid9726.tbin
9727 1 Maximum time was evaluated against Beagle dog at a dose of 15 mg/kg after po administration aid9727.table aid9727.tbin
9728 4 Maximum time taken to reach maximum blood concentration was determined in dogs after oral administration (10 mg/kg) as a 0.05 M citric acid solution. aid9728.table aid9728.tbin
9729 2 Maximum time taken to reach maximum blood concentration was determined in dogs after oral administration (8 mg/kg) as a 0.05 M citric acid solution. aid9729.table aid9729.tbin
9730 1 Title: Discovery of potent imidazole and cyanophenyl containing farnesyltransferase inhibitors with improved oral bioavailability. Abstract: A pyridyl moiety was introduced into a previously developed series of farnesyltransferase inhibitors containing imidazole and cyanophenyl (such as 4), resulting in potent inhibitors with improved pharmacokinetics. aid9730.table aid9730.tbin
9731 1 Title: Molecular design and structure--activity relationships leading to the potent, selective, and orally active thrombin active site inhibitor BMS-189664. Abstract: A series of structurally novel small molecule inhibitors of human alpha-thrombin was prepared to elucidate their structure-activity relationships (SARs), selectivity and activity in vivo. BMS-189664 (3) is identified as a potent, selective, and orally active reversible inhibitor of human alpha-thrombin which is efficacious in vivo ... aid9731.table aid9731.tbin
9732 1 Title: A simple stereoselective synthesis and biological evaluation of FR181157: orally active prostacyclin mimetic. Abstract: Synthetic method of a novel prostaglandin (PG) mimetic: FR181175 without PG skeleton are described. The key to success is creation of a chiral epoxide using Sharpless AD reaction with high ee yield. FR181157 shows high potency and agonist efficacy at the IP receptor and has good bioavailability. aid9732.table aid9732.tbin
9733 20 Title: A combinatorial library of indinavir analogues and its in vitro and in vivo studies. Abstract: A combinatorial library of 300HIV protease inhibitors has been synthesized. The library was screened against recombinant wild-type and mutant HIV-1 protease enzymes. The pharmacokinetics of the library was evaluated by dosing in dogs. Compounds that are notably more potent than indinavir and have favorable pharmacokinetic properties were identified. aid9733.table aid9733.tbin
9734 3 Title: A combinatorial library of indinavir analogues and its in vitro and in vivo studies. Abstract: A combinatorial library of 300HIV protease inhibitors has been synthesized. The library was screened against recombinant wild-type and mutant HIV-1 protease enzymes. The pharmacokinetics of the library was evaluated by dosing in dogs. Compounds that are notably more potent than indinavir and have favorable pharmacokinetic properties were identified. aid9734.table aid9734.tbin
9735 1 Title: Structural analysis and optimization of NK(1) receptor antagonists through modulation of atropisomer interconversion properties. Abstract: We have previously described a series of antagonists that showed high potency and selectivity for the NK(1) receptor. However, these compounds also had the undesirable property of existing as a mixture of interconverting rotational isomers. Here we show that alteration of the 2-naphthyl substituent can modulate the rate of isomer exchange. Comparisons ... aid9735.table aid9735.tbin
9736 1 Title: Discovery and biological characterization of capromorelin analogues with extended half-lives. Abstract: New tert-butyl, picolyl and fluorinated analogues of capromorelin (3), a short-acting growth hormone secretagogue (GHS), were prepared as part of a program to identify long-acting GHSs that increase 24-h plasma IGF-1 levels. Compounds 4c and 4d (ACD LogD values &gt;or=2.9) displayed extended plasma elimination half-lives in dogs, primarily due to high volumes of distribution, but showed... aid9736.table aid9736.tbin
9737 1 Time taken for maximum plasma concentration in dog aid9737.table aid9737.tbin
9738 1 Title: Synthesis, structure-activity relationships, and pharmacokinetic profiles of nonpeptidic difluoromethylene ketones as novel inhibitors of human chymase. Abstract: Potent human chymase inhibitors with high enzymatic selectivity and satisfactory metabolic stability were obtained by replacing the Val-Pro (P3-P2) dipeptide portion of the previously described inhibitor 1 with a nonpeptidic pyrimidinone skeleton. The potency of the novel compounds was further enhanced by the introduction of car... aid9738.table aid9738.tbin
9739 1 Title: A-420983: a potent, orally active inhibitor of lck with efficacy in a model of transplant rejection. Abstract: We have identified the pyrazolo[3,4-d]pyrimidine A-420983 (compound 7) as a potent inhibitor of lck. A-420983 exhibits oral efficacy in animal models of delayed-type hypersensitivity and organ transplant rejection. aid9739.table aid9739.tbin
9740 17 Title: Discovery of a potent, selective and orally active canine COX-2 inhibitor, 2-(3-difluoromethyl-5-phenyl-pyrazol-1-yl)-5-methanesulfonyl-pyridine. Abstract: Structure-activity relationship (SAR) studies of 2-[3-di(and tri)fluoromethyl-5-arylpyrazol-1-yl]-5-methanesulfonylpyridine derivatives for canine COX enzymes are described. This led to the identification of 12a as a lead candidate for further progression. The in vitro and in vivo activity of 12a for the canine COX-2 enzyme as well as ... aid9740.table aid9740.tbin
9741 1 Title: Potent and selective aggrecanase inhibitors containing cyclic P1 substituents. Abstract: Anti-succinate hydroxamates with cyclic P1 motifs were synthesized as aggrecanase inhibitors. The N-methanesulfonyl piperidine 23 and the N-trifluoroacetyl azetidine 26 were the most potent aggrecanase inhibitors both having an IC(50)=3nM while maintaining &gt;100-fold selectivity over MMP-1, -2, and -9. The cyclic moieties were also capable of altering in vivo metabolism, hence delivering low clearan... aid9741.table aid9741.tbin
9742 1 Title: Potent and orally bioavailable noncysteine-containing inhibitors of protein farnesyltransferase. Abstract: Potent and orally bioavailable nonthiol-containing inhibitors of protein farnesyltransferase are described. Oral bioavailability was achieved by replacement of the pyridyl ether moiety of 1 with a 2-substituted furan ether to give 4. Potency was regained with 2,5-disubstituted furan ethers while maintaining the bioavailability inherent in 4. p-Chlorophenylfuran ether 24 is 0.7 nM in ... aid9742.table aid9742.tbin
9743 1 Title: Discovery of novel, orally active dual NK1/NK2 antagonists. Abstract: Exploration of the SAR around selective NK2 antagonists, SR48968 and ZD7944, led to the discovery that naphth-1-amide analogues provide potent dual NK1 and NK2 antagonists. ZD6021 inhibited binding of [3H]-NKA or [3H]-SP to human NK1 and NK2 receptors, with high-affinity (K(i)=0.12 and 0.62nM, respectively). In functional assays ZD6021 had, at 10(-7)M, in human pulmonary artery pK(B)=8.9 and in human bronchus pK(B)=7.3,... aid9743.table aid9743.tbin
9744 1 Title: N-(cycloalkylamino)acyl-2-aminothiazole inhibitors of cyclin-dependent kinase 2. N-[5-[[[5-(1,1-dimethylethyl)-2-oxazolyl]methyl]thio]-2-thiazolyl]-4- piperidinecarboxamide (BMS-387032), a highly efficacious and selective antitumor agent. Abstract: N-Acyl-2-aminothiazoles with nonaromatic acyl side chains containing a basic amine were found to be potent, selective inhibitors of CDK2/cycE which exhibit antitumor activity in mice. In particular, compound 21 [N-[5-[[[5-(1,1-dimethylethyl)-2-... aid9744.table aid9744.tbin
9745 1 Title: Synthesis and biological activity of N-Acylated ornithine analogues of daptomycin. Abstract: N-Acylated ornithine analogues of daptomycin were synthesized and tested for their antibacterial efficacy. aid9745.table aid9745.tbin
9746 6 Title: Synthesis and biological activity of N-Acylated ornithine analogues of daptomycin. Abstract: N-Acylated ornithine analogues of daptomycin were synthesized and tested for their antibacterial efficacy. aid9746.table aid9746.tbin
9747 1 Title: Discovery and evaluation of piperidinyl carboxylic acid derivatives as potent alpha(4)beta(1) integrin antagonists. Abstract: Piperidinyl carboxylic acid-based derivatives were prepared as antagonists of the leukocyte cell adhesion process that is mediated through the interaction of the alpha(4)beta(1) integrin (VLA-4, very late antigen 4) and the vascular cell adhesion molecule 1 (VCAM-1). Compounds 2a-h inhibited the adhesion in a cell-based assay in the low and sub micromolar range, a ... aid9747.table aid9747.tbin
9748 2 Title: Synthesis and biological evaluation of novel 1beta-methylcarbapenems having a new moiety at C-2. Abstract: The synthesis and biological activity of the novel series of 1 beta-methylcarbapenems 1a-f, bearing a variety of 3&quot;,4&quot;-disubstituted pyrrolidinamides as substituents at C-2, are described. Of these carbapenems, diol 1a showed the most potent and well balanced antibacterial activity against Gram-positive and Gram-negative. 1a was also evaluated for pharmacokinetics and in vi... aid9748.table aid9748.tbin
9749 1 Title: Synthesis and evaluation of dihydropyrroloquinolines that selectively antagonize P-glycoprotein. Abstract: In a search for improved multiple drug resistance (MDR) modulators, we identified a novel series of substituted pyrroloquinolines that selectively inhibits the function of P-glycoprotein (Pgp) without modulating multidrug resistance-related protein 1 (MRP1). These compounds were evaluated for their toxicity toward drug-sensitive tumor cells (i.e. MCF-7, T24) and for their ability to ... aid9749.table aid9749.tbin
9750 1 Title: Nonpeptidic HIV protease inhibitors: 6-alkyl-5,6-dihydropyran-2-ones possessing achiral 3-(4-amino/carboxamide-2-t-butyl,5-methylphenyl thio) moiety: antiviral activities and pharmacokinetic properties. Abstract: Dihydropyran-2-ones possessing amino and carboxamide functionalities on 3-SPh (2-tert-butyl, 5-methyl) ring were synthesized and evaluated for their antiviral activities. Both the enantiomers of inhibitor 15 were synthesized. The in vitro resistance profile, inhibitory activities... aid9750.table aid9750.tbin
9751 1 Title: Nonpeptidic HIV protease inhibitors: 6-alkyl-5,6-dihydropyran-2-ones possessing achiral 3-(4-amino/carboxamide-2-t-butyl,5-methylphenyl thio) moiety: antiviral activities and pharmacokinetic properties. Abstract: Dihydropyran-2-ones possessing amino and carboxamide functionalities on 3-SPh (2-tert-butyl, 5-methyl) ring were synthesized and evaluated for their antiviral activities. Both the enantiomers of inhibitor 15 were synthesized. The in vitro resistance profile, inhibitory activities... aid9751.table aid9751.tbin
9752 1 Title: A-420983: a potent, orally active inhibitor of lck with efficacy in a model of transplant rejection. Abstract: We have identified the pyrazolo[3,4-d]pyrimidine A-420983 (compound 7) as a potent inhibitor of lck. A-420983 exhibits oral efficacy in animal models of delayed-type hypersensitivity and organ transplant rejection. aid9752.table aid9752.tbin
9753 2 Title: Design and synthesis of new templates derived from pyrrolopyrimidine as selective multidrug-resistance-associated protein inhibitors in multidrug resistance. Abstract: In our continued effort to identify selective MRP1 modulators, we have developed two novel templates, 3 and 4, through rational drug design by identifying the key pharmacophore interaction at the 7-position of the pyrrolopyrimidine template 1. Further synthesis and SAR work on these novel templates gave a number of potent M... aid9753.table aid9753.tbin
9754 4 Title: Design and synthesis of new templates derived from pyrrolopyrimidine as selective multidrug-resistance-associated protein inhibitors in multidrug resistance. Abstract: In our continued effort to identify selective MRP1 modulators, we have developed two novel templates, 3 and 4, through rational drug design by identifying the key pharmacophore interaction at the 7-position of the pyrrolopyrimidine template 1. Further synthesis and SAR work on these novel templates gave a number of potent M... aid9754.table aid9754.tbin
9755 1 Title: Design and synthesis of new templates derived from pyrrolopyrimidine as selective multidrug-resistance-associated protein inhibitors in multidrug resistance. Abstract: In our continued effort to identify selective MRP1 modulators, we have developed two novel templates, 3 and 4, through rational drug design by identifying the key pharmacophore interaction at the 7-position of the pyrrolopyrimidine template 1. Further synthesis and SAR work on these novel templates gave a number of potent M... aid9755.table aid9755.tbin
9756 3 Title: Studies on pyrrolopyrimidines as selective inhibitors of multidrug-resistance-associated protein in multidrug resistance. Abstract: Multidrug resistance mediated by P-glycoprotein (Pgp) or multidrug-resistance-associated protein (MRP) remains a major obstacle for successful treatment of cancer. Inhibition of Pgp and MRP transport is important for high efficacy of anticancer drugs. While several Pgp inhibitors have entered clinical trials, the development of specific MRP1 inhibitors is sti... aid9756.table aid9756.tbin
9757 5 Title: Studies on pyrrolopyrimidines as selective inhibitors of multidrug-resistance-associated protein in multidrug resistance. Abstract: Multidrug resistance mediated by P-glycoprotein (Pgp) or multidrug-resistance-associated protein (MRP) remains a major obstacle for successful treatment of cancer. Inhibition of Pgp and MRP transport is important for high efficacy of anticancer drugs. While several Pgp inhibitors have entered clinical trials, the development of specific MRP1 inhibitors is sti... aid9757.table aid9757.tbin
9758 3 Title: Studies on pyrrolopyrimidines as selective inhibitors of multidrug-resistance-associated protein in multidrug resistance. Abstract: Multidrug resistance mediated by P-glycoprotein (Pgp) or multidrug-resistance-associated protein (MRP) remains a major obstacle for successful treatment of cancer. Inhibition of Pgp and MRP transport is important for high efficacy of anticancer drugs. While several Pgp inhibitors have entered clinical trials, the development of specific MRP1 inhibitors is sti... aid9758.table aid9758.tbin
9759 4 Title: Synthesis and antibacterial activity of 2alpha-functionalized 1beta-methylcarbapenems related to KR-21012. Abstract: The 2alpha-functionalized 1beta-methylcarbapenems 3 were synthesized from the 2-formyl 1beta-methylcarbapenem intermediate 5. The best compound in the series of 2alpha-(hydroxy)alkylcarbapenems, KR-21012, displayed well balanced in vitro and in vivo activity as a parent compound of oral carbapenem. aid9759.table aid9759.tbin
9760 3 Title: Structure-based de novo design of non-nucleoside adenosine deaminase inhibitors. Abstract: We searched for non-nucleoside inhibitors of adenosine deaminase by rational structure-based de novo design and succeeded in the discovery of 1-(1-hydroxy-4-phenyl-2-butyl)imidazole-4-carboxamide (FR221647: K(i)=5.9 microM to human ADA) as a novel inhibitor with moderate activity and good pharmacokinetics compared with the known inhibitors pentostatin and EHNA. aid9760.table aid9760.tbin
9761 2 Title: Structure-based de novo design of non-nucleoside adenosine deaminase inhibitors. Abstract: We searched for non-nucleoside inhibitors of adenosine deaminase by rational structure-based de novo design and succeeded in the discovery of 1-(1-hydroxy-4-phenyl-2-butyl)imidazole-4-carboxamide (FR221647: K(i)=5.9 microM to human ADA) as a novel inhibitor with moderate activity and good pharmacokinetics compared with the known inhibitors pentostatin and EHNA. aid9761.table aid9761.tbin
9762 2 Title: Design and evaluation of dihydroisoquinolines as potent and orally bioavailable human cytomegalovirus inhibitors. Abstract: Following the identification of first pass metabolism issues with our recently described anti-HCMV compounds, the naphthyridines and isoquinolines, we have designed a class of novel metabolically stable and orally bioavailable anti-HCMV agents, the dihydroisoquinolines. aid9762.table aid9762.tbin
9763 1 Title: Design and evaluation of dihydroisoquinolines as potent and orally bioavailable human cytomegalovirus inhibitors. Abstract: Following the identification of first pass metabolism issues with our recently described anti-HCMV compounds, the naphthyridines and isoquinolines, we have designed a class of novel metabolically stable and orally bioavailable anti-HCMV agents, the dihydroisoquinolines. aid9763.table aid9763.tbin
9764 1 Title: Design and evaluation of dihydroisoquinolines as potent and orally bioavailable human cytomegalovirus inhibitors. Abstract: Following the identification of first pass metabolism issues with our recently described anti-HCMV compounds, the naphthyridines and isoquinolines, we have designed a class of novel metabolically stable and orally bioavailable anti-HCMV agents, the dihydroisoquinolines. aid9764.table aid9764.tbin
9765 2 Title: Design and evaluation of dihydroisoquinolines as potent and orally bioavailable human cytomegalovirus inhibitors. Abstract: Following the identification of first pass metabolism issues with our recently described anti-HCMV compounds, the naphthyridines and isoquinolines, we have designed a class of novel metabolically stable and orally bioavailable anti-HCMV agents, the dihydroisoquinolines. aid9765.table aid9765.tbin
9767 1 Title: A new class of glycogen phosphorylase inhibitors. Abstract: A new class of diacid analogues that binds at the AMP site not only are very potent but have approximately 10-fold selectivity in liver versus muscle glycogen phosphorylase (GP) in the in vitro assay. The synthesis, structure, and in vitro and in vivo biological evaluation of these liver selective glycogen phosphorylase inhibitors are discussed. aid9767.table aid9767.tbin
9768 1 Title: Design and synthesis of the tumor-activated prodrug of dihydropyrimidine dehydrogenase (DPD) inhibitor, RO0094889 for combination therapy with capecitabine. Abstract: A series of tumor-activated prodrugs of the inhibitors of dihydropyrimidine dehydrogenase (DPD), an enzyme catabolizing 5-fluorouracil (5-FU: 4g), has been designed and synthesized. RO0094889 (11c) is a prodrug of 5-vinyluracil (4c), a known DPD inhibitor, and was designed to generate 4c selectively in tumor tissues by seque... aid9768.table aid9768.tbin
9769 1 Title: Improved antibacterial activities of coumarin antibiotics bearing 5',5'-dialkylnoviose: biological activity of RU79115. Abstract: A new series of coumarin inhibitors of DNA gyrase B bearing a N-propargyloxycarbamate at C-3' of various 5',5'-dialkylnoviose, including RU79115, were synthesised and their antibacterial activities have been delineated. Introduction of dialkyl substituents at 5'5'-position of noviose leads to coumarin analogues with improved in vitro and in vivo antibacterial a... aid9769.table aid9769.tbin
9770 1 Title: Potent, orally absorbed glucagon receptor antagonists. Abstract: The SAR of 2-pyridyl-3,5-diaryl pyrroles, ligands of the human glucagon receptor and inhibitors of p38 kinase, were investigated. This effort resulted in the identification of 2-(4-pyridyl)-5-(4-chlorophenyl)-3-(5-bromo-2-propyloxyphenyl)pyrr ole 49 (L-168,049), a potent (Kb = 25 nM), selective antagonist of glucagon. aid9770.table aid9770.tbin
9771 1 Title: Potent, orally absorbed glucagon receptor antagonists. Abstract: The SAR of 2-pyridyl-3,5-diaryl pyrroles, ligands of the human glucagon receptor and inhibitors of p38 kinase, were investigated. This effort resulted in the identification of 2-(4-pyridyl)-5-(4-chlorophenyl)-3-(5-bromo-2-propyloxyphenyl)pyrr ole 49 (L-168,049), a potent (Kb = 25 nM), selective antagonist of glucagon. aid9771.table aid9771.tbin
9772 1 Title: Potent, orally absorbed glucagon receptor antagonists. Abstract: The SAR of 2-pyridyl-3,5-diaryl pyrroles, ligands of the human glucagon receptor and inhibitors of p38 kinase, were investigated. This effort resulted in the identification of 2-(4-pyridyl)-5-(4-chlorophenyl)-3-(5-bromo-2-propyloxyphenyl)pyrr ole 49 (L-168,049), a potent (Kb = 25 nM), selective antagonist of glucagon. aid9772.table aid9772.tbin