TTD_Target_ID	Target_Name	TTD_Drug_ID	Drug_Name	Drug_Highest_Status	Drug_PubchemID	Molecular_Formula	Molecular_Weight	Canonical_SMILES	Activity	Binder_Type
T57392	Debrisoquine 4-hydroxylase	D0QV5T	Phenprocoumon	Approved	54680692	C18H16O3	280.3	CCC(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O	IC50 = 528000 nM	Non binder
T57392	Debrisoquine 4-hydroxylase	B09BPL	1-[5-(6-Methoxynaphthalen-2-yl)pyridin-3-yl]ethanone	Investigative	25034348	C18H15NO2	277.3	CC(=O)C1=CN=CC(=C1)C2=CC3=C(C=C2)C=C(C=C3)OC	IC50 > 200000 nM	Non binder
T57392	Debrisoquine 4-hydroxylase	B0YA2H	Pyridine, 3-(4-methyl-1H-imidazol-1-yl)-	Investigative	44388612	C9H9N3	159.19	CC1=CN(C=N1)C2=CN=CC=C2	IC50 = 297000 nM	Non binder
T57392	Debrisoquine 4-hydroxylase	B29YTW	2-(4-Fluoro-benzenesulfonylamino)-N-(1-formyl-3-methyl-butyl)-3-methyl-butyramide	Investigative	10861643	C17H25FN2O4S	372.5	CC(C)C[C@H](C=O)NC(=O)[C@H](C(C)C)NS(=O)(=O)C1=CC=C(C=C1)F	IC50 = 291000 nM	Non binder
T57392	Debrisoquine 4-hydroxylase	B2QHP6	Pyridine, 2-fluoro-5-(4-methyl-3-thienyl)-	Investigative	11389927	C10H8FNS	193.24	CC1=CSC=C1C2=CN=C(C=C2)F	IC50 = 296000 nM	Non binder
T57392	Debrisoquine 4-hydroxylase	B2SMB6	Acetic acid, [[(4-methoxyphenyl)sulfonyl]hydrazono]-	Investigative	5351283	C9H10N2O5S	258.25	COC1=CC=C(C=C1)S(=O)(=O)N/N=C/C(=O)O	IC50 = 288000 nM	Non binder
T57392	Debrisoquine 4-hydroxylase	B3CMW1	(5-Phenylthiophen-2-yl)methanamine	Investigative	11993875	C11H11NS	189.28	C1=CC=C(C=C1)C2=CC=C(S2)CN	Ki > 400000 nM	Non binder
T57392	Debrisoquine 4-hydroxylase	B4QX3P	Dimethyl[3-(pyridin-3-yl)prop-2-yn-1-yl]amine	Investigative	10654534	C10H12N2	160.22	CN(C)CC#CC1=CN=CC=C1	Ki > 400000 nM	Non binder
T57392	Debrisoquine 4-hydroxylase	B5AQ2J	(NE)-N-[(5-pyridin-3-ylfuran-2-yl)methylidene]hydroxylamine;(NZ)-N-[(5-pyridin-3-ylfuran-2-yl)methylidene]hydroxylamine	Investigative	56679632	C20H16N4O4	376.4	C1=CC(=CN=C1)C2=CC=C(O2)/C=N/O.C1=CC(=CN=C1)C2=CC=C(O2)/C=N\\O	IC50 > 400000 nM	Non binder
T57392	Debrisoquine 4-hydroxylase	B6LNH2	N-Methyl-3-(3-pyridinyl)-2-propyne-1-amine	Investigative	10510985	C9H10N2	146.19	CNCC#CC1=CN=CC=C1	Ki > 400000 nM	Non binder
T57392	Debrisoquine 4-hydroxylase	B6ODA5	Morpholin-4-yl-(4-phenylpiperidin-4-yl)methanone	Investigative	424326	C16H22N2O2	274.36	C1CNCCC1(C2=CC=CC=C2)C(=O)N3CCOCC3	IC50 = 554000 nM	Non binder
T57392	Debrisoquine 4-hydroxylase	B7WX4U	3,3'-Bipyridine	Investigative	68487	C10H8N2	156.18	C1=CC(=CN=C1)C2=CN=CC=C2	IC50 > 300000 nM	Non binder
T57392	Debrisoquine 4-hydroxylase	B8E2AM	1-(5-(Pyridin-3-yl)thiophen-2-yl)ethan-1-one	Investigative	15778480	C11H9NOS	203.26	CC(=O)C1=CC=C(S1)C2=CN=CC=C2	IC50 = 387000 nM	Non binder
T57392	Debrisoquine 4-hydroxylase	B9AR2N	3-(1-Ethyl-1H-imidazol-4-yl)pyridine	Investigative	11480732	C10H11N3	173.21	CCN1C=C(N=C1)C2=CN=CC=C2	IC50 = 344000 nM	Non binder
T57392	Debrisoquine 4-hydroxylase	BBW4R3	3-(4-Methyl-1,3-thiazol-2-yl)pyridine	Investigative	1201554	C9H8N2S	176.24	CC1=CSC(=N1)C2=CN=CC=C2	Ki > 400000 nM	Non binder
T57392	Debrisoquine 4-hydroxylase	BC9S8V	1-Naphthalenyl[4-(pentyloxy)-1-naphthalenyl]methanone	Investigative	9799417	C26H24O2	368.5	CCCCCOC1=CC=C(C2=CC=CC=C21)C(=O)C3=CC=CC4=CC=CC=C43	IC50 > 200000 nM	Non binder
T57392	Debrisoquine 4-hydroxylase	BCWO08	3-Phenylthiophene	Investigative	75473	C10H8S	160.24	C1=CC=C(C=C1)C2=CSC=C2	Ki > 400000 nM	Non binder
T57392	Debrisoquine 4-hydroxylase	BD10HW	(1S,2R)-1,2-Diphenyl-3-(triazol-1-yl)propan-1-ol	Investigative	56835179	C17H17N3O	279.34	C1=CC=C(C=C1)[C@H](CN2C=CN=N2)[C@@H](C3=CC=CC=C3)O	Ki = 707945.78 nM	Non binder
T57392	Debrisoquine 4-hydroxylase	BDAJ86	N-[[(3S)-1-Oxo-7-(3-oxomorpholino)-3abeta,4-dihydro-1H,3H-2,5-dioxa-9b-aza-2H-benzo[e]indene-3beta-yl]methyl]-5-chlorothiophene-2-carboxamide	Investigative	76685067	C20H18ClN3O6S	463.9	C1COCC(=O)N1C2=CC3=C(C=C2)N4[C@@H](CO3)[C@@H](OC4=O)CNC(=O)C5=CC=C(S5)Cl	IC50 > 200000 nM	Non binder
T57392	Debrisoquine 4-hydroxylase	BE45DV	Bruceantin	Investigative	5281304	C28H36O11	548.6	CC1=C(C(=O)C[C@]2([C@H]1C[C@@H]3[C@]45[C@@H]2[C@H]([C@@H]([C@]([C@@H]4[C@H](C(=O)O3)OC(=O)/C=C(\\C)/C(C)C)(OC5)C(=O)OC)O)O)C)O	IC50 = 514000 nM	Non binder
T57392	Debrisoquine 4-hydroxylase	BEI4G7	1-(3-Pyridin-3-ylisoxazol-5-YL)methanamine	Investigative	11993865	C9H9N3O	175.19	C1=CC(=CN=C1)C2=NOC(=C2)CN	Ki > 400000 nM	Non binder
T57392	Debrisoquine 4-hydroxylase	BEQJ14	2-Amino-5-(3-aminopropyl)-6-phenyl-4-pyrimidinol	Investigative	135429838	C13H16N4O	244.29	C1=CC=C(C=C1)C2=C(C(=O)NC(=N2)N)CCCN	IC50 = 234000 nM	Non binder
T57392	Debrisoquine 4-hydroxylase	BGP90S	5-Benzylidene-10,11-dihydro-5H-dibenzo[a,d]cycloheptene	Investigative	44409475	C22H18	282.4	C1CC2=CC=CC=C2C(=CC3=CC=CC=C3)C4=CC=CC=C41	IC50 > 200000 nM	Non binder
T57392	Debrisoquine 4-hydroxylase	BIX6S8	(Z)-4-[5-[(2,4-Difluorophenyl)methyl]-1-[(2-fluorophenyl)methyl]-2-oxo-3-pyridyl]-4-hydroxy-2-oxo-but-3-enoic acid	Investigative	70688283	C23H16F3NO5	443.4	C1=CC=C(C(=C1)CN2C=C(C=C(C2=O)/C(=C/C(=O)C(=O)O)/O)CC3=C(C=C(C=C3)F)F)F	IC50 > 200000 nM	Non binder
T57392	Debrisoquine 4-hydroxylase	BJYR40	4-((Benzylamino)methyl)benzoic acid	Investigative	275548	C15H15NO2	241.28	C1=CC=C(C=C1)CNCC2=CC=C(C=C2)C(=O)O	IC50 = 570000 nM	Non binder
T57392	Debrisoquine 4-hydroxylase	BK36VF	(NZ)-N-[(5-pyridin-3-ylfuran-2-yl)methylidene]hydroxylamine	Investigative	11355925	C10H8N2O2	188.18	C1=CC(=CN=C1)C2=CC=C(O2)/C=N\\O	IC50 > 400000 nM	Non binder
T57392	Debrisoquine 4-hydroxylase	BPKY46	3-(2-Methyl-1H-imidazol-1-yl)pyridine	Investigative	16654686	C9H9N3	159.19	CC1=NC=CN1C2=CN=CC=C2	IC50 = 277000 nM	Non binder
T57392	Debrisoquine 4-hydroxylase	BPZ7V2	N-[[(1R,5S)-3-(2-Fluoro-2-methylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide	Investigative	127039374	C21H29FN4O	372.5	CC(C)C1=NC(=C2N1C=CC=C2)C(=O)NCC3[C@H]4[C@@H]3CN(C4)CC(C)(C)F	IC50 = 734300 nM	Non binder
T57392	Debrisoquine 4-hydroxylase	BRI3T1	5-(3-{[1-(Benzylsulfonyl)piperidin-4-Yl]amino}phenyl)-4-Bromo-3-(Carboxymethoxy)thiophene-2-Carboxylic Acid	Investigative	11786814	C25H25BrN2O7S2	609.5	C1CN(CCC1NC2=CC=CC(=C2)C3=C(C(=C(S3)C(=O)O)OCC(=O)O)Br)S(=O)(=O)CC4=CC=CC=C4	IC50 > 500000 nM	Non binder
T57392	Debrisoquine 4-hydroxylase	BSEF80	Auglurant	Investigative	60168069	C16H12FN5O2	325.3	CC1=CC(=CC(=N1)C(=O)NC2=NC=C(C=C2)F)OC3=CN=CN=C3	IC50 > 200000 nM	Non binder
T57392	Debrisoquine 4-hydroxylase	BT6ED3	3-(2-Thienyl)pyridine	Investigative	595145	C9H7NS	161.23	C1=CC(=CN=C1)C2=CC=CS2	IC50 > 400000 nM	Non binder
T57392	Debrisoquine 4-hydroxylase	BU64BZ	5-(Pyridin-3-yl)thiophene-2-carbaldehyde	Investigative	10899427	C10H7NOS	189.24	C1=CC(=CN=C1)C2=CC=C(S2)C=O	IC50 > 400000 nM	Non binder
T57392	Debrisoquine 4-hydroxylase	BV1B3U	5-Hydroxy saxagliptin	Investigative	23645678	C18H25N3O3	331.4	C1[C@@H]2C[C@@H]2N([C@@H]1C#N)C(=O)[C@H](C34CC5CC(C3)(CC(C5)(C4)O)O)N	IC50 > 200000 nM	Non binder
T57392	Debrisoquine 4-hydroxylase	BV8YP7	3-(Pyridin-3-yl)propan-1-amine	Investigative	13557523	C8H12N2	136.19	C1=CC(=CN=C1)CCCN	Ki > 400000 nM	Non binder
T57392	Debrisoquine 4-hydroxylase	BWJ9Y1	3-(3-Methyl-1H-imidazol-4-yl)-pyridine	Investigative	44388606	C9H10N3+	160.2	C[N+]1=CNC=C1C2=CN=CC=C2	IC50 = 217000 nM	Non binder
T57392	Debrisoquine 4-hydroxylase	BXVR43	Niosh/DE8039200	Investigative	44409488	C17H16N2O2	280.32	CCC(=O)O/N=C\\1/C2=C(CCC3=CC=CC=C31)N=CC=C2	IC50 > 400000 nM	Non binder
T57392	Debrisoquine 4-hydroxylase	BXWL30	(5R)-3-[3-Fluoro-4-(1-oxidotetrahydro-2H-thiopyran-4-yl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide	Investigative	23729988	C15H17FN2O4S	340.4	C1CS(=O)CCC1C2=C(C=C(C=C2)N3C[C@@H](OC3=O)C(=O)N)F	IC50 > 900000 nM	Non binder
T57392	Debrisoquine 4-hydroxylase	BY3CR2	2-(2,3-Dichloro-propyl)-spiro[4.5]decane-1,3-dione	Investigative	44396806	C13H18Cl2O2	277.18	C1CCC2(CC1)CC(=O)C(C2=O)CC(CCl)Cl	IC50 = 310000 nM	Non binder
T57392	Debrisoquine 4-hydroxylase	BY4K6H	3-Methyl-4-phenylthiophene	Investigative	11993868	C11H10S	174.26	CC1=CSC=C1C2=CC=CC=C2	Ki > 400000 nM	Non binder
T57392	Debrisoquine 4-hydroxylase	BZGE23	Rac-N,N-dimethyl-2-(3-(1-(thiazol-2-yl)ethyl)benzo[b]thiophen-2-yl)ethanamine	Investigative	11623845	C17H20N2S2	316.5	CC(C1=C(SC2=CC=CC=C21)CCN(C)C)C3=NC=CS3	IC50 = 856000 nM	Non binder
T57392	Debrisoquine 4-hydroxylase	D05FNN	Sulfamic acid 7-sulfamoyloxy-heptyl ester	Investigative	100606	C7H18N2O6S2	290.4	C(CCCOS(=O)(=O)N)CCCOS(=O)(=O)N	IC50 = 699000 nM	Non binder
T57392	Debrisoquine 4-hydroxylase	D06HOI	BMS-269223	Investigative	44249821	C23H28N6O3	436.5	CC1=CC2=C(O1)C=CC(=C2)NC(=N[C@H]3CCCCN(C3=O)CC(=O)N4CCCC4)NC#N	IC50 > 200000 nM	Non binder
T57392	Debrisoquine 4-hydroxylase	D0J1QT	BMS-344577	Investigative	44473100	C31H37N7O5	587.7	CC1=CC2=C(O1)C=CC(=C2)NC(=N[C@H]3CCCCN(C3=O)CC(=O)N4CCCC4)NC(=O)C5=CN=C(C=C5)C(=O)N(C)C	IC50 > 200000 nM	Non binder
T57392	Debrisoquine 4-hydroxylase	D0VD5O	2-fluoro-5-(3-methylthiophen-2-yl)pyridine	Investigative	11148236	C10H8FNS	193.24	CC1=C(SC=C1)C2=CN=C(C=C2)F	Ki > 400000 nM	Non binder