TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T44011 Estradiol 17 beta-dehydrogenase 1 B08PNU N,3-Bis(3-methoxyphenyl)-N-methylbenzamide Investigative 60197921 C22H21NO3 347.4 CN(C1=CC(=CC=C1)OC)C(=O)C2=CC=CC(=C2)C3=CC(=CC=C3)OC IC50 ~ 60000 nM Poor binder T44011 Estradiol 17 beta-dehydrogenase 1 B4ASY3 N-[(3-Hydroxyphenyl)methyl]-N-methyl-4-(3-methylphenyl)benzamide Investigative 56933898 C22H21NO2 331.4 CC1=CC(=CC=C1)C2=CC=C(C=C2)C(=O)N(C)CC3=CC(=CC=C3)O IC50 = 64532 nM Poor binder T44011 Estradiol 17 beta-dehydrogenase 1 B5EM2U 5-(3-Methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide Investigative 56934037 C21H21NO3S 367.5 CN(CC1=CC(=CC=C1)OC)C(=O)C2=CC=C(S2)C3=CC(=CC=C3)OC IC50 ~ 100000 nM Poor binder T44011 Estradiol 17 beta-dehydrogenase 1 B6A9UV 4-(4-Chlorophenyl)-N-(3-methoxyphenyl)-N-methylcyclohexane-1-carboxamide Investigative 127042310 C21H24ClNO2 357.9 CN(C1=CC(=CC=C1)OC)C(=O)C2CCC(CC2)C3=CC=C(C=C3)Cl IC50 = 60100 nM Poor binder T44011 Estradiol 17 beta-dehydrogenase 1 B74BYI 4-Cyclopentyl-N-(5-hydroxy-2-adamantyl)-2-[[(3S)-oxolan-3-yl]amino]pyrimidine-5-carboxamide Investigative 52911994 C24H34N4O3 426.6 C1CCC(C1)C2=NC(=NC=C2C(=O)NC3C4CC5CC3CC(C5)(C4)O)N[C@H]6CCOC6 IC50 ~ 100000 nM Poor binder T44011 Estradiol 17 beta-dehydrogenase 1 B7BE1N N-Benzyl-5-(2-hydroxyphenyl)-N-methylthiophene-2-carboxamide Investigative 56934188 C19H17NO2S 323.4 CN(CC1=CC=CC=C1)C(=O)C2=CC=C(S2)C3=CC=CC=C3O IC50 ~ 100000 nM Poor binder T44011 Estradiol 17 beta-dehydrogenase 1 B7DR6G N-Benzyl-5-(2-methoxyphenyl)-N-methylthiophene-2-carboxamide Investigative 56934187 C20H19NO2S 337.4 CN(CC1=CC=CC=C1)C(=O)C2=CC=C(S2)C3=CC=CC=C3OC IC50 = 55741 nM Poor binder T44011 Estradiol 17 beta-dehydrogenase 1 B8FKJ6 (7S)-7-Methyl-7-(4,4,4-trifluoro-1-hydroxybut-2-ynyl)-5,6,8,8a,9,10-hexahydro-4bH-phenanthren-2-ol Investigative 44314270 C19H21F3O2 338.4 C[C@@]1(CCC2C(C1)CCC3=C2C=CC(=C3)O)C(C#CC(F)(F)F)O Ki = 59000 nM Poor binder T44011 Estradiol 17 beta-dehydrogenase 1 B9HJR7 N-Benzyl-5-(3-methoxyphenyl)-N-methylthiophene-2-carboxamide Investigative 56934183 C20H19NO2S 337.4 CN(CC1=CC=CC=C1)C(=O)C2=CC=C(S2)C3=CC(=CC=C3)OC IC50 ~ 100000 nM Poor binder T44011 Estradiol 17 beta-dehydrogenase 1 BEKS27 5-(2-Fluoro-3-methoxyphenyl)-N-(3-methoxyphenyl)-N-methylthiophene-2-carboxamide Investigative 60165269 C20H18FNO3S 371.4 CN(C1=CC(=CC=C1)OC)C(=O)C2=CC=C(S2)C3=C(C(=CC=C3)OC)F IC50 ~ 50000 nM Poor binder T44011 Estradiol 17 beta-dehydrogenase 1 BF6YC0 (7R)-7-Methyl-7-(4,4,4-trifluoro-1-hydroxybut-2-ynyl)-5,6,8,8a,9,10-hexahydro-4bH-phenanthren-2-ol Investigative 44314513 C19H21F3O2 338.4 C[C@]1(CCC2C(C1)CCC3=C2C=CC(=C3)O)C(C#CC(F)(F)F)O Ki = 65000 nM Poor binder T44011 Estradiol 17 beta-dehydrogenase 1 BFM4Z9 N-Benzyl-5-(4-methoxyphenyl)-N-methylthiophene-2-carboxamide Investigative 56934185 C20H19NO2S 337.4 CN(CC1=CC=CC=C1)C(=O)C2=CC=C(S2)C3=CC=C(C=C3)OC IC50 ~ 100000 nM Poor binder T44011 Estradiol 17 beta-dehydrogenase 1 BJ2U1A N-(3-Methoxybenzyl)-N,3'-dimethylbiphenyl-4-carboxamide Investigative 56933897 C23H23NO2 345.4 CC1=CC(=CC=C1)C2=CC=C(C=C2)C(=O)N(C)CC3=CC(=CC=C3)OC IC50 ~ 100000 nM Poor binder T44011 Estradiol 17 beta-dehydrogenase 1 BO2UB5 [6-(3-Chloro-4-hydroxyphenyl)pyridin-2-yl]-(3-hydroxyphenyl)methanone Investigative 136042246 C18H12ClNO3 325.7 C1=CC(=CC(=C1)O)C(=O)C2=CC=CC(=N2)C3=CC(=C(C=C3)O)Cl IC50 = 60638 nM Poor binder T44011 Estradiol 17 beta-dehydrogenase 1 BQD03V 5-(4-Methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide Investigative 56934039 C21H21NO3S 367.5 CN(CC1=CC(=CC=C1)OC)C(=O)C2=CC=C(S2)C3=CC=C(C=C3)OC IC50 ~ 120000 nM Poor binder T44011 Estradiol 17 beta-dehydrogenase 1 BR9PD5 (1R,2S,9S,12S)-9-Methyl-7-oxa-6-azapentacyclo[10.8.0.02,9.04,8.013,18]icosa-4(8),5,13(18),14,16-pentaen-16-ol Investigative 71450526 C19H21NO2 295.4 C[C@]12CC[C@H]3[C@H]([C@@H]1CC4=C2ON=C4)CCC5=C3C=CC(=C5)O Ki = 69400 nM Poor binder T44011 Estradiol 17 beta-dehydrogenase 1 BUB1V0 3'-Methoxy-N-(3-methoxybenzyl)-N-methylbiphenyl-4-carboxamide Investigative 56933761 C23H23NO3 361.4 CN(CC1=CC(=CC=C1)OC)C(=O)C2=CC=C(C=C2)C3=CC(=CC=C3)OC IC50 ~ 100000 nM Poor binder T44011 Estradiol 17 beta-dehydrogenase 1 BUFX60 N-Cyclopropyl-5-(2-fluoro-3-methoxyphenyl)-N-(3-hydroxybenzyl)thiophene-2-carboxamide Investigative 60197003 C22H20FNO3S 397.5 COC1=CC=CC(=C1F)C2=CC=C(S2)C(=O)N(CC3=CC(=CC=C3)O)C4CC4 IC50 = 85343 nM Poor binder