TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T40016 Glucocorticoid receptor D0V9BD Bicalutamide Approved 2375 C18H14F4N2O4S 430.4 CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O Ki ~ 100000 nM Poor binder T40016 Glucocorticoid receptor B0LD7O 24-Phenethyl-3alpha,7beta-dihydroxy-5beta-cholanamide Investigative 49652409 C32H49NO3 495.7 C[C@H](CCC(=O)NCCC1=CC=CC=C1)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3[C@H](C[C@H]5[C@@]4(CC[C@H](C5)O)C)O)C EC50 = 109000 nM Poor binder T40016 Glucocorticoid receptor B0SB6C 3alpha,7beta-Dihydroxy-5-beta-cholan-24-nitrile Investigative 50993355 C24H39NO2 373.6 C[C@H](CCC#N)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C EC50 = 101000 nM Poor binder T40016 Glucocorticoid receptor B7KSU8 3alpha,7beta-Dihydroxy-24-bisnor-5beta-cholane-22-nitrile Investigative 52943487 C22H35NO2 345.5 C[C@H](C#N)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C EC50 = 130000 nM Poor binder T40016 Glucocorticoid receptor B82PVM 1-(2-Phenoxyethyl)-3-(2-(piperidin-1-yl)ethyl)-1H-benzo[d]imidazol-2(3H)-imine Investigative 1043068 C22H28N4O 364.5 C1CCN(CC1)CCN2C3=CC=CC=C3N(C2=N)CCOC4=CC=CC=C4 IC50 ~ 100000 nM Poor binder T40016 Glucocorticoid receptor BAIL56 24-alpha-Methylbenzyl-3alpha,7beta-dihydroxy-5beta-cholanamide Investigative 50993282 C32H49NO3 495.7 C[C@H](CCC(=O)NC(C)C1=CC=CC=C1)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3[C@H](C[C@H]5[C@@]4(CC[C@H](C5)O)C)O)C EC50 = 123500 nM Poor binder T40016 Glucocorticoid receptor BD06KA (5s)-2-{[(1s)-1-(2-Fluorophenyl)ethyl]amino}-5-Methyl-5-(Trifluoromethyl)-1,3-Thiazol-4(5h)-One Investigative 135513268 C13H12F4N2OS 320.31 C[C@@H](C1=CC=CC=C1F)N=C2NC(=O)[C@@](S2)(C)C(F)(F)F IC50 ~ 50000 nM Poor binder T40016 Glucocorticoid receptor BD35TU N'-[(E)-(5-Bromo-2-hydroxyphenyl)methylidene]-3-hydroxynaphthalene-2-carbohydrazide Investigative 135459005 C18H13BrN2O3 385.2 C1=CC=C2C=C(C(=CC2=C1)C(=O)N/N=C/C3=C(C=CC(=C3)Br)O)O IC50 ~ 100000 nM Poor binder T40016 Glucocorticoid receptor BH0KO4 24-Piperazine-3alpha,7beta-dihydroxy-5beta-cholanamide Investigative 50993208 C28H48N2O3 460.7 C[C@H](CCC(=O)N1CCNCC1)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3[C@H](C[C@H]5[C@@]4(CC[C@H](C5)O)C)O)C EC50 = 50800 nM Poor binder T40016 Glucocorticoid receptor BJ90IG 24-Benzyl-3alpha,7beta-hydroxy-5beta-cholanamide Investigative 49652111 C31H47NO3 481.7 C[C@H](CCC(=O)NCC1=CC=CC=C1)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3[C@H](C[C@H]5[C@@]4(CC[C@H](C5)O)C)O)C EC50 = 109500 nM Poor binder T40016 Glucocorticoid receptor BKH2C9 (2R,5S)-4-[4-Cyano-3-(trifluoromethyl)phenyl]-2,5-dimethyl-N-[6-(trifluoromethyl)pyridin-3-yl]piperazine-1-carboxamide Investigative 11155655 C21H19F6N5O 471.4 C[C@@H]1CN([C@H](CN1C(=O)NC2=CN=C(C=C2)C(F)(F)F)C)C3=CC(=C(C=C3)C#N)C(F)(F)F Ki ~ 100000 nM Poor binder T40016 Glucocorticoid receptor BLCW02 Norursodeoxycholic Acid Investigative 192254 C23H38O4 378.5 C[C@H](CC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C EC50 = 105300 nM Poor binder T40016 Glucocorticoid receptor BO8F2X Sundaicumone A Investigative 11585049 C32H50O9 578.7 CCCC(CC(=O)O)C1=C2[C@]3(C[C@@H](C([C@@](C1=O)(C3=O)C(=O)C(C)CC)(C)C)CC(C(C)(C)O)O)C[C@H](O2)C(C)(C)O EC50 = 173000 nM Poor binder T40016 Glucocorticoid receptor BR4B3J Dinorursodeoxycholic acid Investigative 11143041 C22H36O4 364.5 C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C)C(=O)O EC50 = 99700 nM Poor binder T40016 Glucocorticoid receptor BZ82YS Sundaicumone B Investigative 11504875 C32H48O7 544.7 CCCC(CC(=O)O)C1=C2[C@]3(C[C@@H](C([C@@](C1=O)(C3=O)C(=O)C(C)CC)(C)C)CC=C(C)C)C[C@H](O2)C(C)(C)O EC50 = 75000 nM Poor binder T40016 Glucocorticoid receptor BZ8FY4 N'-[(E)-(4-Hydroxy-3,5-dimethoxyphenyl)methylidene]naphtho[2,1-b]furan-2-carbohydrazide Investigative 135571931 C22H18N2O5 390.4 COC1=CC(=CC(=C1O)OC)/C=N/NC(=O)C2=CC3=C(O2)C=CC4=CC=CC=C43 IC50 ~ 100000 nM Poor binder T40016 Glucocorticoid receptor D00DNY Ellipticine Investigative 3213 C17H14N2 246.31 CC1=C2C=CN=CC2=C(C3=C1NC4=CC=CC=C43)C IC50 = 90000 nM Poor binder T40016 Glucocorticoid receptor D0T4SL 9-Methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazole Investigative 72512 C18H16N2O 276.3 CC1=C2C=CN=CC2=C(C3=C1NC4=C3C=C(C=C4)OC)C IC50 = 90000 nM Poor binder