TTD_Target_ID	Target_Name	TTD_Drug_ID	Drug_Name	Drug_Highest_Status	Drug_PubchemID	Molecular_Formula	Molecular_Weight	Canonical_SMILES	Activity	Binder_Type
T89041	Steroid 17-alpha-monooxygenase	D0M6DO	Aminoglutethimide	Approved	2145	C13H16N2O2	232.28	CCC1(CCC(=O)NC1=O)C2=CC=C(C=C2)N	IC50 = 60000 nM	Poor binder
T89041	Steroid 17-alpha-monooxygenase	B2QKB3	3-({[17-(5-Fluoropyridin-3-yl)estra-1,3,5(10),16-tetraen-3-yl]carbonyl}amino)-2,2-dimethylpropanoic acid	Investigative	71542246	C29H33FN2O3	476.6	C[C@]12CC[C@H]3[C@H]([C@@H]1CC=C2C4=CC(=CN=C4)F)CCC5=C3C=CC(=C5)C(=O)NCC(C)(C)C(=O)O	IC50 = 85500 nM	Poor binder
T89041	Steroid 17-alpha-monooxygenase	B62BQP	(3S,8R,9S,10R,13S,14S)-17-Indol-1-yl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol	Investigative	71734667	C27H33NO	387.6	C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4N5C=CC6=CC=CC=C65)C)O	IC50 = 130000 nM	Poor binder
T89041	Steroid 17-alpha-monooxygenase	B6RXJ9	[(3S,8R,9S,10R,13S,14S)-17-(Benzimidazol-1-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-methylimidazole-1-carboxylate	Investigative	71733626	C31H36N4O2	496.6	CC1=NC=CN1C(=O)O[C@H]2CC[C@@]3([C@H]4CC[C@]5([C@H]([C@@H]4CC=C3C2)CC=C5N6C=NC7=CC=CC=C76)C)C	IC50 = 93700 nM	Poor binder
T89041	Steroid 17-alpha-monooxygenase	B7ZID0	1-(4-Aminophenyl)-3-cyclohexyl-3-azabicyclo[3.1.1]heptane-2,4-dione	Investigative	14872624	C18H22N2O2	298.4	C1CCC(CC1)N2C(=O)C3CC(C3)(C2=O)C4=CC=C(C=C4)N	IC50 = 140000 nM	Poor binder
T89041	Steroid 17-alpha-monooxygenase	B91NTV	Adamantane-1-carboxylic acid (pyridin-3-ylmethyl)-amide	Investigative	585624	C17H22N2O	270.37	C1C2CC3CC1CC(C2)(C3)C(=O)NCC4=CN=CC=C4	IC50 = 70000 nM	Poor binder
T89041	Steroid 17-alpha-monooxygenase	B9SC8O	[(3S,8R,9S,10R,13S,14S)-17-(Benzimidazol-1-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] imidazole-1-carboxylate	Investigative	71733625	C30H34N4O2	482.6	C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4N5C=NC6=CC=CC=C65)C)OC(=O)N7C=CN=C7	IC50 = 122000 nM	Poor binder
T89041	Steroid 17-alpha-monooxygenase	BCT93D	Holafebrine	Investigative	320374	C21H35NO	317.5	C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)N	IC50 = 89800 nM	Poor binder
T89041	Steroid 17-alpha-monooxygenase	BHA64M	CID 71621803	Investigative	71621803	C31H20F4N6O2	584.5	C1=CC(=CC=C1COC2=CC=C(C=C2)C#CC3=CN=C(C=C3)C(C(CN4C=NN=N4)(C5=C(C=C(C=C5)F)F)O)(F)F)C#N	IC50 ~ 100000 nM	Poor binder
T89041	Steroid 17-alpha-monooxygenase	BJ8R2X	beta-Alanine, N-((17-(5-fluoro-3-pyridinyl)estra-1,3,5(10),16-tetraen-3-yl)carbonyl)-N-methyl-	Investigative	71542153	C28H31FN2O3	462.6	C[C@]12CC[C@H]3[C@H]([C@@H]1CC=C2C4=CC(=CN=C4)F)CCC5=C3C=CC(=C5)C(=O)N(C)CCC(=O)O	IC50 = 200000 nM	Poor binder
T89041	Steroid 17-alpha-monooxygenase	BZ3M4S	[(3S,8R,9S,10R,13S,14S)-17-(Benzimidazol-1-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] pyridine-4-carboxylate	Investigative	71735007	C32H35N3O2	493.6	C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4N5C=NC6=CC=CC=C65)C)OC(=O)C7=CC=NC=C7	IC50 = 132000 nM	Poor binder