TTD_Target_ID	Target_Name	TTD_Drug_ID	Drug_Name	Drug_Highest_Status	Drug_PubchemID	Molecular_Formula	Molecular_Weight	Canonical_SMILES	Activity	Binder_Type
T06455	Cytochrome P450 2A6	D0TY5N	Cotinine	Approved	854019	C10H12N2O	176.21	CN1[C@@H](CCC1=O)C2=CN=CC=C2	IC50 > 400000 nM	Non binder
T06455	Cytochrome P450 2A6	D0Y3KG	Valproate	Approved	3121	C8H16O2	144.21	CCCC(CCC)C(=O)O	Ki = 9150000 nM	Non binder
T06455	Cytochrome P450 2A6	B28NMB	1-Methyl-5-(3-pyridinyl)-2-pyrrolidinone	Investigative	408	C10H12N2O	176.21	CN1C(CCC1=O)C2=CN=CC=C2	IC50 = 34994516.7 nM	Non binder
T06455	Cytochrome P450 2A6	B2ISQ0	Nicotine iminium	Investigative	181139	C10H13N2+	161.22	C[N+]1=CCC[C@H]1C2=CN=CC=C2	IC50 > 400000 nM	Non binder
T06455	Cytochrome P450 2A6	B2U9TD	l-Nor-nicotine	Investigative	91462	C9H12N2	148.2	C1C[C@H](NC1)C2=CN=CC=C2	IC50 > 400000 nM	Non binder
T06455	Cytochrome P450 2A6	B39PXQ	Nicotelline	Investigative	68123	C15H11N3	233.27	C1=CC(=CN=C1)C2=CC(=NC=C2)C3=CN=CC=C3	IC50 > 400000 nM	Non binder
T06455	Cytochrome P450 2A6	B4CY5D	Nicotine-1'-N-oxide	Investigative	68107	C10H14N2O	178.23	C[N+]1(CCC[C@H]1C2=CN=CC=C2)[O-]	IC50 > 400000 nM	Non binder
T06455	Cytochrome P450 2A6	B6TMC8	3-(1H-Imidazol-4-yl)pyridine	Investigative	3040177	C8H7N3	145.16	C1=CC(=CN=C1)C2=CN=CN2	IC50 = 800000 nM	Non binder
T06455	Cytochrome P450 2A6	B6YL1B	3-Methyl-2,3'-bipyridine	Investigative	16037176	C11H10N2	170.21	CC1=C(N=CC=C1)C2=CN=CC=C2	IC50 = 262000 nM	Non binder
T06455	Cytochrome P450 2A6	B7C8MP	2,6-Dimethylquinoline	Investigative	13414	C11H11N	157.21	CC1=CC2=C(C=C1)N=C(C=C2)C	IC50 = 279898.13 nM	Non binder
T06455	Cytochrome P450 2A6	B7DF6K	Demethylcotinine	Investigative	92223	C9H10N2O	162.19	C1CC(=O)N[C@@H]1C2=CN=CC=C2	IC50 = 274000 nM	Non binder
T06455	Cytochrome P450 2A6	B7H9EX	1-Phenethyl-1H-imidazole	Investigative	10219621	C11H12N2	172.23	C1=CC=C(C=C1)CCN2C=CN=C2	IC50 = 618000 nM	Non binder
T06455	Cytochrome P450 2A6	B7IM9P	3-(Pyridin-3-yl)quinoline	Investigative	11701255	C14H10N2	206.24	C1=CC=C2C(=C1)C=C(C=N2)C3=CN=CC=C3	IC50 = 267000 nM	Non binder
T06455	Cytochrome P450 2A6	BB6E9D	6,7-Dimethoxy-2-tetralone	Investigative	609844	C12H14O3	206.24	COC1=C(C=C2CC(=O)CCC2=C1)OC	IC50 = 1999861.87 nM	Non binder
T06455	Cytochrome P450 2A6	BIWF02	2-(4-Chlorophenyl)-3-hydroxy-8-phenylquinoline-4-carboxylic acid	Investigative	16099923	C22H14ClNO3	375.8	C1=CC=C(C=C1)C2=CC=CC3=C(C(=C(N=C32)C4=CC=C(C=C4)Cl)O)C(=O)O	IC50 = 500000 nM	Non binder
T06455	Cytochrome P450 2A6	BJI4M6	2,7-Dimethylquinoline	Investigative	7138	C11H11N	157.21	CC1=CC2=C(C=C1)C=CC(=N2)C	IC50 = 399944.75 nM	Non binder
T06455	Cytochrome P450 2A6	BK8LM6	N-Methylanabasine	Investigative	927709	C11H16N2	176.26	CN1CCCC[C@H]1C2=CN=CC=C2	IC50 > 400000 nM	Non binder
T06455	Cytochrome P450 2A6	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
T06455	Cytochrome P450 2A6	BT4Q1K	2,4-Dimethylquinoline	Investigative	14536	C11H11N	157.21	CC1=CC(=NC2=CC=CC=C12)C	IC50 = 829850.77 nM	Non binder
T06455	Cytochrome P450 2A6	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
T06455	Cytochrome P450 2A6	BV2ZL1	1-Benzothiophene-3-carbonyl chloride	Investigative	2776338	C9H5ClOS	196.65	C1=CC=C2C(=C1)C(=CS2)C(=O)Cl	IC50 = 270000 nM	Non binder
T06455	Cytochrome P450 2A6	BVD5K7	3-(Imidazol-1-ylmethyl)pyridine	Investigative	16654684	C9H9N3	159.19	C1=CC(=CN=C1)CN2C=CN=C2	IC50 > 200000 nM	Non binder
T06455	Cytochrome P450 2A6	BWVA46	1,2,3,6,7-Pentachloronaphthalene	Investigative	114908	C10H3Cl5	300.4	C1=C2C=C(C(=C(C2=CC(=C1Cl)Cl)Cl)Cl)Cl	IC50 > 600000 nM	Non binder
T06455	Cytochrome P450 2A6	BWVY29	3-(1-Benzyl-4,5-dihydroimidazol-2-yl)pyridine	Investigative	16654682	C15H15N3	237.3	C1CN(C(=N1)C2=CN=CC=C2)CC3=CC=CC=C3	IC50 > 400000 nM	Non binder
T06455	Cytochrome P450 2A6	BXN40S	(5-(Pyridin-3-yl)furan-2-yl)methanol	Investigative	11446630	C10H9NO2	175.18	C1=CC(=CN=C1)C2=CC=C(O2)CO	IC50 = 211000 nM	Non binder
T06455	Cytochrome P450 2A6	BYQC45	(+)-Nicotine	Investigative	157672	C10H14N2	162.23	CN1CCC[C@@H]1C2=CN=CC=C2	IC50 = 580000 nM	Non binder