TTD_Target_ID	Target_Name	TTD_Drug_ID	Drug_Name	Drug_Highest_Status	Drug_PubchemID	Molecular_Formula	Molecular_Weight	Canonical_SMILES	Activity	Binder_Type
T11793	Cytochrome P450 2B6	D00YZA	Thiotepa	Approved	5453	C6H12N3PS	189.22	C1CN1P(=S)(N2CC2)N3CC3	Ki = 50000 nM	Poor binder
T11793	Cytochrome P450 2B6	D00YZD	Dolutegravir	Approved	54726191	C20H19F2N3O5	419.4	C[C@@H]1CCO[C@@H]2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCC4=C(C=C(C=C4)F)F)O	IC50 ~ 100000 nM	Poor binder
T11793	Cytochrome P450 2B6	D04MSM	Carbamazepine	Approved	2554	C15H12N2O	236.27	C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)N	EC50 = 145000 nM	Poor binder
T11793	Cytochrome P450 2B6	D05LBU	Ticlopidine	Approved	5472	C14H14ClNS	263.8	C1CN(CC2=C1SC=C2)CC3=CC=CC=C3Cl	IC50 = 70000 nM	Poor binder
T11793	Cytochrome P450 2B6	D0K9MY	Saxagliptin	Approved	11243969	C18H25N3O2	315.4	C1[C@@H]2C[C@@H]2N([C@@H]1C#N)C(=O)[C@H](C34CC5CC(C3)CC(C5)(C4)O)N	IC50 ~ 50000 nM	Poor binder
T11793	Cytochrome P450 2B6	D06ZEO	BAY 1021189	Phase 3	54674461	C19H16F2N8O2	426.4	COC(=O)NC1=C(N=C(N=C1N)C2=NN(C3=C2C=C(C=N3)F)CC4=CC=CC=C4F)N	IC50 ~ 50000 nM	Poor binder
T11793	Cytochrome P450 2B6	D0C9PZ	PT2385	Phase 2	91754484	C17H12F3NO4S	383.3	CS(=O)(=O)C1=C2[C@@H](C(CC2=C(C=C1)OC3=CC(=CC(=C3)C#N)F)(F)F)O	IC50 ~ 50000 nM	Poor binder
T11793	Cytochrome P450 2B6	D04RLX	Tariquidar	Discontinued in Phase 2	148201	C38H38N4O6	646.7	COC1=C(C=C2CN(CCC2=C1)CCC3=CC=C(C=C3)NC(=O)C4=CC(=C(C=C4NC(=O)C5=CC6=CC=CC=C6N=C5)OC)OC)OC	IC50 ~ 100000 nM	Poor binder
T11793	Cytochrome P450 2B6	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 ~ 50000 nM	Poor binder
T11793	Cytochrome P450 2B6	B0DM5Y	5-Amino-N-[[4-(2-fluoropyridin-3-yl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide	Investigative	89777151	C21H18FN5OS	407.5	CC1=C(N=NC2=C1C(=C(S2)C(=O)NCC3=CC=C(C=C3)C4=C(N=CC=C4)F)N)C	EC50 ~ 50000 nM	Poor binder
T11793	Cytochrome P450 2B6	B0X4JZ	4-[[6-Ethyl-5-[[4-[(5R)-2-oxo-5-phenyl-3-(tetrahydro-2H-pyran-4-yl)imidazolidine-1-yl]piperidino]methyl]pyridine-2-yl]oxy]benzoic acid	Investigative	58835217	C34H40N4O5	584.7	CCC1=C(C=CC(=N1)OC2=CC=C(C=C2)C(=O)O)CN3CCC(CC3)N4[C@@H](CN(C4=O)C5CCOCC5)C6=CC=CC=C6	IC50 ~ 73000 nM	Poor binder
T11793	Cytochrome P450 2B6	B1ZFE2	10-[(3S)-1-Azabicyclo[2.2.2]octan-3-yl]-6-methoxy-1,2,10-triazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-9-one	Investigative	66898172	C18H22N4O2	326.4	COC1=CC2=C3C(=C1)C(=O)N(CCN3N=C2)[C@@H]4CN5CCC4CC5	IC50 ~ 50000 nM	Poor binder
T11793	Cytochrome P450 2B6	B1ZLW5	HIF-2alpha-IN-1	Investigative	91810395	C16H8F5NO4S	405.3	C1=CC2=C([C@H](C(S2(=O)=O)(F)F)O)C(=C1OC3=CC(=CC(=C3)C#N)F)C(F)F	IC50 ~ 50000 nM	Poor binder
T11793	Cytochrome P450 2B6	B2W3GN	(6-Hydroxy-1,3-benzothiazol-2-yl)-(3-hydroxy-4-methylphenyl)methanone	Investigative	56847605	C15H11NO3S	285.3	CC1=C(C=C(C=C1)C(=O)C2=NC3=C(S2)C=C(C=C3)O)O	IC50 = 54000 nM	Poor binder
T11793	Cytochrome P450 2B6	B36BNZ	N-(2-(4-(4-(3,4-Dimethoxybenzyl)piperazin-1-yl)phenylcarbamoyl)phenyl)quinoline-3-carboxamide	Investigative	44428924	C36H35N5O4	601.7	COC1=C(C=C(C=C1)CN2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4NC(=O)C5=CC6=CC=CC=C6N=C5)OC	IC50 ~ 100000 nM	Poor binder
T11793	Cytochrome P450 2B6	B3FX1O	(2E,5E)-2,5-Bis[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]cyclopentan-1-one	Investigative	2407524	C23H24O7	412.4	COC1=CC(=CC(=C1O)OC)/C=C\\2/C(=O)/C(=C/C3=CC(=C(C(=C3)OC)O)OC)/CC2	IC50 = 70000 nM	Poor binder
T11793	Cytochrome P450 2B6	B3MEO5	1H-Benzimidazole, 6-methoxy-2-(propylthio)-	Investigative	2650025	C11H14N2OS	222.31	CCCSC1=NC2=C(N1)C=C(C=C2)OC	IC50 = 50000 nM	Poor binder
T11793	Cytochrome P450 2B6	B3T0AM	2-[[4-[[6-Amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]methyl]benzoyl]amino]ethoxy-[3,4-di(dodecanoyloxy)butyl]phosphinic acid	Investigative	121493728	C46H75N6O11P	919.1	CCCCCCCCCCCC(=O)OCC(CCP(=O)(O)OCCNC(=O)C1=CC=C(C=C1)CN2C3=NC(=NC(=C3NC2=O)N)OCCOC)OC(=O)CCCCCCCCCCC	IC50 ~ 100000 nM	Poor binder
T11793	Cytochrome P450 2B6	B3WP6F	3-(3-Thienyl)pyridine	Investigative	595254	C9H7NS	161.23	C1=CC(=CN=C1)C2=CSC=C2	IC50 = 59100 nM	Poor binder
T11793	Cytochrome P450 2B6	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 = 192000 nM	Poor binder
T11793	Cytochrome P450 2B6	B4Y5QZ	Chembl4288001	Investigative	145990715	C21H19ClO5	386.8	CC#C[C@@H](CC(=O)O)C1=CC=C(C=C1)OC[C@H]2COC3=C(O2)C=C(C=C3)Cl	IC50 = 84700 nM	Poor binder
T11793	Cytochrome P450 2B6	B64KQU	2-(Butylthio)-6-methoxy-1H-benzoimidazole	Investigative	40680501	C12H16N2OS	236.34	CCCCSC1=NC2=C(N1)C=C(C=C2)OC	IC50 = 50000 nM	Poor binder
T11793	Cytochrome P450 2B6	B6LNH2	N-Methyl-3-(3-pyridinyl)-2-propyne-1-amine	Investigative	10510985	C9H10N2	146.19	CNCC#CC1=CN=CC=C1	Ki = 60000 nM	Poor binder
T11793	Cytochrome P450 2B6	B6QA3Y	[3-[2-[[4-[[6-Amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]methyl]benzoyl]amino]ethoxy-hydroxyphosphoryl]oxy-2-dodecanoyloxypropyl] dodecanoate	Investigative	53492525	C45H73N6O12P	921.1	CCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC(=O)C1=CC=C(C=C1)CN2C3=NC(=NC(=C3NC2=O)N)OCCOC)OC(=O)CCCCCCCCCCC	IC50 ~ 100000 nM	Poor binder
T11793	Cytochrome P450 2B6	B6TMC8	3-(1H-Imidazol-4-yl)pyridine	Investigative	3040177	C8H7N3	145.16	C1=CC(=CN=C1)C2=CN=CN2	Ki = 51500 nM	Poor binder
T11793	Cytochrome P450 2B6	B6TP7K	2-Benzylsulfanyl-6-methoxy-1H-benzimidazole	Investigative	4384047	C15H14N2OS	270.4	COC1=CC2=C(C=C1)N=C(N2)SCC3=CC=CC=C3	IC50 = 50000 nM	Poor binder
T11793	Cytochrome P450 2B6	B6YAR0	6-Methoxy-2-(2-methylpropylsulfanyl)-1H-benzimidazole	Investigative	4817293	C12H16N2OS	236.34	CC(C)CSC1=NC2=C(N1)C=C(C=C2)OC	IC50 = 50000 nM	Poor binder
T11793	Cytochrome P450 2B6	B7WX4U	3,3'-Bipyridine	Investigative	68487	C10H8N2	156.18	C1=CC(=CN=C1)C2=CN=CC=C2	IC50 = 145000 nM	Poor binder
T11793	Cytochrome P450 2B6	B8RT6L	CYP3cide	Investigative	71315139	C26H32N8	456.6	CC1=CC=C(C=C1)C2=C(C=NN2C)C3=NN(C4=C3C(=NC=N4)N5CC[C@@H](C5)N6CCCCC6)C	IC50 = 88000 nM	Poor binder
T11793	Cytochrome P450 2B6	B92CBY	3-(1H-Pyrazol-3-yl)pyridine	Investigative	7074967	C8H7N3	145.16	C1=CC(=CN=C1)C2=CC=NN2	Ki = 71500 nM	Poor binder
T11793	Cytochrome P450 2B6	B9AR2N	3-(1-Ethyl-1H-imidazol-4-yl)pyridine	Investigative	11480732	C10H11N3	173.21	CCN1C=C(N=C1)C2=CN=CC=C2	IC50 = 83100 nM	Poor binder
T11793	Cytochrome P450 2B6	B9FO2R	Chembl4203179	Investigative	124114343	C30H36F2N8	546.7	CCN1CCC(CC1)N2CCC3=C(C2)C=CC(=N3)NC4=NC=C(C(=N4)C5=CC6=C(C(=C5)F)N=C(N6C(C)C)C)F	IC50 ~ 50000 nM	Poor binder
T11793	Cytochrome P450 2B6	BABC07	4-[(5-Methoxybenzimidazol-2-ylthio)methyl]benzoic acid	Investigative	672443	C16H14N2O3S	314.4	COC1=CC2=C(C=C1)N=C(N2)SCC3=CC=C(C=C3)C(=O)O	IC50 = 50000 nM	Poor binder
T11793	Cytochrome P450 2B6	BB87JC	2-{[4-(Tert-butyl)phenyl]methylthio}-5-methoxybenzimidazole	Investigative	780263	C19H22N2OS	326.5	CC(C)(C)C1=CC=C(C=C1)CSC2=NC3=C(N2)C=C(C=C3)OC	IC50 = 50000 nM	Poor binder
T11793	Cytochrome P450 2B6	BC68BS	6-Methoxy-2-[(4-phenylmethoxyphenyl)methylsulfanyl]-1H-benzimidazole	Investigative	56954137	C22H20N2O2S	376.5	COC1=CC2=C(C=C1)N=C(N2)SCC3=CC=C(C=C3)OCC4=CC=CC=C4	IC50 = 50000 nM	Poor binder
T11793	Cytochrome P450 2B6	BD25WR	(3-(Pyridin-3-yl)-1H-pyrazol-5-yl)methanamine	Investigative	11993870	C9H10N4	174.2	C1=CC(=CN=C1)C2=NNC(=C2)CN	IC50 = 66400 nM	Poor binder
T11793	Cytochrome P450 2B6	BEI4G7	1-(3-Pyridin-3-ylisoxazol-5-YL)methanamine	Investigative	11993865	C9H9N3O	175.19	C1=CC(=CN=C1)C2=NOC(=C2)CN	IC50 = 67400 nM	Poor binder
T11793	Cytochrome P450 2B6	BEOP15	(4-Fluoro-3-hydroxyphenyl)-(6-hydroxy-1,3-benzothiazol-2-yl)methanone	Investigative	56929249	C14H8FNO3S	289.28	C1=CC(=C(C=C1C(=O)C2=NC3=C(S2)C=C(C=C3)O)O)F	IC50 = 54000 nM	Poor binder
T11793	Cytochrome P450 2B6	BFWX86	4-[[6-Methyl-5-[[4-[(5R)-2-oxo-5-(3-chlorophenyl)-3-(tetrahydro-2H-pyran-4-yl)imidazolidine-1-yl]piperidino]methyl]pyridine-2-yl]oxy]benzoic acid	Investigative	58834906	C33H37ClN4O5	605.1	CC1=C(C=CC(=N1)OC2=CC=C(C=C2)C(=O)O)CN3CCC(CC3)N4[C@@H](CN(C4=O)C5CCOCC5)C6=CC(=CC=C6)Cl	IC50 ~ 100000 nM	Poor binder
T11793	Cytochrome P450 2B6	BG8O2D	N-Methyl(5-(pyridin-3-yl)furan-2-yl)methanamine	Investigative	11229234	C11H12N2O	188.23	CNCC1=CC=C(O1)C2=CN=CC=C2	Ki = 179000 nM	Poor binder
T11793	Cytochrome P450 2B6	BGIP98	10-[(3S)-1-Azabicyclo[2.2.2]octan-3-yl]-6-fluoro-1,2,10-triazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-9-one	Investigative	66898814	C17H19FN4O	314.36	C1CN2CCC1[C@@H](C2)N3CCN4C5=C(C=C(C=C5C3=O)F)C=N4	IC50 ~ 50000 nM	Poor binder
T11793	Cytochrome P450 2B6	BH59SQ	2-[4-[4-[6-[[2-Phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]-1H-benzimidazol-2-yl]phenyl]cyclohexyl]acetic acid	Investigative	71812623	C32H27F3N4O4	588.6	C1CC(CCC1CC(=O)O)C2=CC=C(C=C2)C3=NC4=C(N3)C=C(C=C4)NC(=O)C5=C(OC(=N5)C6=CC=CC=C6)C(F)(F)F	EC50 ~ 100000 nM	Poor binder
T11793	Cytochrome P450 2B6	BI7Q0J	2,5-Bis(3,5-diisopropyl-4-hydroxybenzylidene)cyclopentanone	Investigative	10647667	C31H40O3	460.6	CC(C1=CC(=CC(=C1O)C(C)C)/C=C\\2/C(=O)/C(=C/C3=CC(=C(C(=C3)C(C)C)O)C(C)C)/CC2)C	IC50 = 74300 nM	Poor binder
T11793	Cytochrome P450 2B6	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 = 128000 nM	Poor binder
T11793	Cytochrome P450 2B6	BKNO32	Chembl4177457	Investigative	72950813	C19H18ClN5O3S	431.9	CS(=O)(=O)C1=NN(C2=C1C=CN=C2)CC3=NC4=C(N3CC5COC5)C=CC(=C4)Cl	IC50 ~ 100000 nM	Poor binder
T11793	Cytochrome P450 2B6	BLBD75	(5-Pyrid-3-ylthien-2-YL)methylamine	Investigative	11206290	C10H10N2S	190.27	C1=CC(=CN=C1)C2=CC=C(S2)CN	IC50 = 52200 nM	Poor binder
T11793	Cytochrome P450 2B6	BLF2V0	JTZ-951 HCl	Investigative	67049587	C17H17ClN4O4	376.8	C1=CC=C(C=C1)CCC2=CC(=O)C(=C3N2NC=N3)C(=O)NCC(=O)O.Cl	IC50 ~ 100000 nM	Poor binder
T11793	Cytochrome P450 2B6	BLS9G8	6-Methoxy-2-(pyridin-2-ylmethylsulfanyl)-1H-benzimidazole	Investigative	4674678	C14H13N3OS	271.34	COC1=CC2=C(C=C1)N=C(N2)SCC3=CC=CC=N3	IC50 = 50000 nM	Poor binder
T11793	Cytochrome P450 2B6	BM95EQ	Chembl4128835	Investigative	145960490	C24H28Cl2N2O2	447.4	C[C@H](C1=CC=CC2=CC=CC=C21)N[C@H]3CCN(C3)C4=CC=C(C=C4)CC(=O)O.Cl.Cl	IC50 ~ 50000 nM	Poor binder
T11793	Cytochrome P450 2B6	BMK09X	2-[5-Fluoro-2-methyl-3-(1-oxo-2-propan-2-ylisoquinolin-4-yl)indol-1-yl]acetic acid	Investigative	57505249	C23H21FN2O3	392.4	CC1=C(C2=C(N1CC(=O)O)C=CC(=C2)F)C3=CN(C(=O)C4=CC=CC=C43)C(C)C	IC50 ~ 100000 nM	Poor binder
T11793	Cytochrome P450 2B6	BN1A7L	Pyridine, 3-(1-methyl-1H-imidazol-4-yl)-	Investigative	11344157	C9H9N3	159.19	CN1C=C(N=C1)C2=CN=CC=C2	Ki = 73000 nM	Poor binder
T11793	Cytochrome P450 2B6	BO69VC	Vibegron	Investigative	44472635	C26H28N4O3	444.5	C1C[C@@H](N[C@@H]1CC2=CC=C(C=C2)NC(=O)[C@@H]3CCC4=NC=CC(=O)N34)[C@@H](C5=CC=CC=C5)O	IC50 ~ 100000 nM	Poor binder
T11793	Cytochrome P450 2B6	BQJH12	N-(2-((2-((3,4-Dimethoxyphenethyl)(methyl)amino)ethyl)carbamoyl)phenyl)quinoline-3-carboxamide	Investigative	16072099	C30H32N4O4	512.6	CN(CCC1=CC(=C(C=C1)OC)OC)CCNC(=O)C2=CC=CC=C2NC(=O)C3=CC4=CC=CC=C4N=C3	IC50 ~ 100000 nM	Poor binder
T11793	Cytochrome P450 2B6	BS91AU	10-[(3S)-1-Azabicyclo[2.2.2]octan-3-yl]-1,2,10-triazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-9-one	Investigative	49843532	C17H20N4O	296.37	C1CN2CCC1[C@@H](C2)N3CCN4C5=C(C=CC=C5C3=O)C=N4	IC50 ~ 50000 nM	Poor binder
T11793	Cytochrome P450 2B6	BT58XY	N-(1-((5-Cyanopyridin-2-yl)methyl)-1H-pyrazol-3-yl)-2-(4-(1-(trifluoromethyl)cyclopropyl)-phenyl)acetamide	Investigative	118560618	C22H18F3N5O	425.4	C1CC1(C2=CC=C(C=C2)CC(=O)NC3=NN(C=C3)CC4=NC=C(C=C4)C#N)C(F)(F)F	IC50 = 52000 nM	Poor binder
T11793	Cytochrome P450 2B6	BT6ED3	3-(2-Thienyl)pyridine	Investigative	595145	C9H7NS	161.23	C1=CC(=CN=C1)C2=CC=CS2	IC50 = 70800 nM	Poor binder
T11793	Cytochrome P450 2B6	BTDW97	(1S,4S,5R,8S,9R,10S,12R,13R)-1,5,9-Trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.0^{4,13}.0^{8,13}]hexadecan-10-ol	Investigative	10221470	C15H24O5	284.35	C[C@@H]1CC[C@H]2[C@H]([C@H](O[C@H]3[C@@]24[C@H]1CC[C@@](O3)(OO4)C)O)C	IC50 ~ 125000 nM	Poor binder
T11793	Cytochrome P450 2B6	BV1BL8	2,6-Difluoro-3-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)benzamide	Investigative	56929159	C14H8F2N2O3S	322.29	C1=CC2=C(C=C1O)SC(=N2)NC(=O)C3=C(C=CC(=C3F)O)F	IC50 = 54000 nM	Poor binder
T11793	Cytochrome P450 2B6	BV5Y1D	6-Methyl-2-(pyridin-2-ylmethylsulfanyl)-1H-benzimidazole	Investigative	3012527	C14H13N3S	255.34	CC1=CC2=C(C=C1)N=C(N2)SCC3=CC=CC=N3	IC50 = 50000 nM	Poor binder
T11793	Cytochrome P450 2B6	BVW19Y	10-[(3S)-1-Azabicyclo[2.2.2]octan-3-yl]-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene-2,9-dione	Investigative	69937257	C17H20N4O2	312.37	C1CN2CCC1[C@@H](C2)N3CCN4C5=C(C3=O)C=CC=C5NC4=O	IC50 ~ 50000 nM	Poor binder
T11793	Cytochrome P450 2B6	BWJ4Y6	2-(Cyclopropylmethylsulfanyl)-6-methoxy-1H-benzimidazole	Investigative	56953896	C12H14N2OS	234.32	COC1=CC2=C(C=C1)N=C(N2)SCC3CC3	IC50 = 50000 nM	Poor binder
T11793	Cytochrome P450 2B6	BWJ9Y1	3-(3-Methyl-1H-imidazol-4-yl)-pyridine	Investigative	44388606	C9H10N3+	160.2	C[N+]1=CNC=C1C2=CN=CC=C2	IC50 = 146000 nM	Poor binder
T11793	Cytochrome P450 2B6	BWRC87	10-[(3S)-1-Azabicyclo[2.2.2]octan-3-yl]-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-9-one	Investigative	69937236	C18H21N3O	295.4	C1CN2CCC1[C@@H](C2)N3CCN4C=CC5=C4C(=CC=C5)C3=O	IC50 ~ 50000 nM	Poor binder
T11793	Cytochrome P450 2B6	BX4C5F	N-(2-(4-(4-(3,4-Dimethoxybenzyl)piperazin-1-yl)phenylcarbamoyl)-4,5-dimethoxyphenyl)quinoline-3-carboxamide	Investigative	16745311	C38H39N5O6	661.7	COC1=C(C=C(C=C1)CN2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4=CC(=C(C=C4NC(=O)C5=CC6=CC=CC=C6N=C5)OC)OC)OC	IC50 = 100000 nM	Poor binder
T11793	Cytochrome P450 2B6	BX9K7D	CID 16041411	Investigative	16041411	C32H36N4O4S	572.7	C1CN(CCC1N2[C@@H](CN(C2=O)C3CCOCC3)C4=CC=CC=C4)CC5=CN=C(C=C5)SC6=CC=C(C=C6)C(=O)O	IC50 ~ 60000 nM	Poor binder
T11793	Cytochrome P450 2B6	BXEL43	2-(6-(5-Chloro-2-methoxyphenyl)-4-oxo-2-thioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamide	Investigative	71571306	C13H12ClN3O3S	325.77	COC1=C(C=C(C=C1)Cl)C2=CC(=O)NC(=S)N2CC(=O)N	IC50 ~ 100000 nM	Poor binder
T11793	Cytochrome P450 2B6	BY96PQ	Pyridine, 2-fluoro-5-(3-thienyl)-	Investigative	11389737	C9H6FNS	179.22	C1=CC(=NC=C1C2=CSC=C2)F	IC50 = 72100 nM	Poor binder
T11793	Cytochrome P450 2B6	BYB34A	10-[(3S)-1-Azabicyclo[2.2.2]octan-3-yl]-6-chloro-1,2,10-triazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-9-one	Investigative	69937162	C17H19ClN4O	330.8	C1CN2CCC1[C@@H](C2)N3CCN4C5=C(C=C(C=C5C3=O)Cl)C=N4	IC50 ~ 50000 nM	Poor binder
T11793	Cytochrome P450 2B6	BZ2OK6	CID 57519510	Investigative	57519510	C28H26N8O	490.6	CC1=NC=C(C=C1)C2=NN(C=N2)C3=CC=C(C=C3)NC4=NC=CC(=N4)C5=CC(=CC=C5)N6CCOCC6	IC50 ~ 50000 nM	Poor binder
T11793	Cytochrome P450 2B6	D02GFK	3-(6-Methoxynaphthalen-2-yl)pyridin-4-amine	Investigative	25034431	C16H14N2O	250.29	COC1=CC2=C(C=C1)C=C(C=C2)C3=C(C=CN=C3)N	IC50 ~ 50000 nM	Poor binder
T11793	Cytochrome P450 2B6	D03YHZ	6-Isoquinolin-4-yl-3,4-dihydroquinolin-2(1H)-one	Investigative	25147692	C18H14N2O	274.3	C1CC(=O)NC2=C1C=C(C=C2)C3=CN=CC4=CC=CC=C43	IC50 = 100000 nM	Poor binder
T11793	Cytochrome P450 2B6	D06QFO	(5-(pyridin-3-yl)furan-2-yl)methanamine	Investigative	11332763	C10H10N2O	174.2	C1=CC(=CN=C1)C2=CC=C(O2)CN	Ki = 95500 nM	Poor binder
T11793	Cytochrome P450 2B6	D0O1HH	3-(pyridin-3-yl)prop-2-yn-1-amine	Investigative	11263510	C8H8N2	132.16	C1=CC(=CN=C1)C#CCN	Ki = 82500 nM	Poor binder