Compile Data Set for Download or QSAR

Found 163 hits of ki for UniProtKB: P11509   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM50499777 (CHEMBL3740883) Show SMILES O=Cc1cn(nc1-c1ccccc1)-c1nc(cs1)-c1cc2c(ccc3ccccc23)oc1=O Show InChI InChI=1S/C26H15N3O3S/c30-14-18-13-29(28-24(18)17-7-2-1-3-8-17)26-27-22(15-33-26)21-12-20-19-9-5-4-6-16(19)10-11-23(20)32-25(21)31/h1-15H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0570	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human microsomal CYP2A6				Bioorg Med Chem Lett 25: 5797-803 (2015) Article DOI: 10.1016/j.bmcl.2015.10.042 BindingDB Entry DOI: 10.7270/Q2J67KXF
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM50499784 (CHEMBL3740902) Show SMILES Cc1ccc(cc1)-c1nn(cc1C=O)-c1nc(cs1)-c1cc2cc(Br)ccc2oc1=O Show InChI InChI=1S/C23H14BrN3O3S/c1-13-2-4-14(5-3-13)21-16(11-28)10-27(26-21)23-25-19(12-31-23)18-9-15-8-17(24)6-7-20(15)30-22(18)29/h2-12H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human microsomal CYP2A6				Bioorg Med Chem Lett 25: 5797-803 (2015) Article DOI: 10.1016/j.bmcl.2015.10.042 BindingDB Entry DOI: 10.7270/Q2J67KXF
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM50499772 (CHEMBL3741757) Show SMILES Cc1ccc(cc1)-c1nn(cc1C=O)-c1nc(cs1)-c1cc2cc(Br)cc(Br)c2oc1=O Show InChI InChI=1S/C23H13Br2N3O3S/c1-12-2-4-13(5-3-12)20-15(10-29)9-28(27-20)23-26-19(11-32-23)17-7-14-6-16(24)8-18(25)21(14)31-22(17)30/h2-11H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human microsomal CYP2A6				Bioorg Med Chem Lett 25: 5797-803 (2015) Article DOI: 10.1016/j.bmcl.2015.10.042 BindingDB Entry DOI: 10.7270/Q2J67KXF
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM50499773 (CHEMBL3739596) Show SMILES COc1cccc2cc(-c3csc(n3)-n3cc(C=O)c(n3)-c3ccc(C)cc3)c(=O)oc12 Show InChI InChI=1S/C24H17N3O4S/c1-14-6-8-15(9-7-14)21-17(12-28)11-27(26-21)24-25-19(13-32-24)18-10-16-4-3-5-20(30-2)22(16)31-23(18)29/h3-13H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human microsomal CYP2A6				Bioorg Med Chem Lett 25: 5797-803 (2015) Article DOI: 10.1016/j.bmcl.2015.10.042 BindingDB Entry DOI: 10.7270/Q2J67KXF
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM50499774 (CHEMBL3742383) Show SMILES Clc1ccc2oc(=O)c(cc2c1)-c1csc(n1)-n1cc(C=O)c(n1)-c1ccccc1 Show InChI InChI=1S/C22H12ClN3O3S/c23-16-6-7-19-14(8-16)9-17(21(28)29-19)18-12-30-22(24-18)26-10-15(11-27)20(25-26)13-4-2-1-3-5-13/h1-12H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human microsomal CYP2A6				Bioorg Med Chem Lett 25: 5797-803 (2015) Article DOI: 10.1016/j.bmcl.2015.10.042 BindingDB Entry DOI: 10.7270/Q2J67KXF
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM50499783 (CHEMBL3742224) Show SMILES Cc1ccc(cc1)-c1nn(cc1C=O)-c1nc(cs1)-c1cc2cc(Cl)cc(Cl)c2oc1=O Show InChI InChI=1S/C23H13Cl2N3O3S/c1-12-2-4-13(5-3-12)20-15(10-29)9-28(27-20)23-26-19(11-32-23)17-7-14-6-16(24)8-18(25)21(14)31-22(17)30/h2-11H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human microsomal CYP2A6				Bioorg Med Chem Lett 25: 5797-803 (2015) Article DOI: 10.1016/j.bmcl.2015.10.042 BindingDB Entry DOI: 10.7270/Q2J67KXF
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM50499782 (CHEMBL3741819) Show SMILES Clc1ccc(cc1)-c1nn(cc1C=O)-c1nc(cs1)-c1cc2cc(Cl)cc(Cl)c2oc1=O Show InChI InChI=1S/C22H10Cl3N3O3S/c23-14-3-1-11(2-4-14)19-13(9-29)8-28(27-19)22-26-18(10-32-22)16-6-12-5-15(24)7-17(25)20(12)31-21(16)30/h1-10H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human microsomal CYP2A6				Bioorg Med Chem Lett 25: 5797-803 (2015) Article DOI: 10.1016/j.bmcl.2015.10.042 BindingDB Entry DOI: 10.7270/Q2J67KXF
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM50499775 (CHEMBL3740871) Show SMILES Clc1cc(Cl)c2oc(=O)c(cc2c1)-c1csc(n1)-n1cc(C=O)c(n1)-c1ccccc1 Show InChI InChI=1S/C22H11Cl2N3O3S/c23-15-6-13-7-16(21(29)30-20(13)17(24)8-15)18-11-31-22(25-18)27-9-14(10-28)19(26-27)12-4-2-1-3-5-12/h1-11H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human microsomal CYP2A6				Bioorg Med Chem Lett 25: 5797-803 (2015) Article DOI: 10.1016/j.bmcl.2015.10.042 BindingDB Entry DOI: 10.7270/Q2J67KXF
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM50499780 (CHEMBL3740860) Show SMILES COc1cccc2cc(-c3csc(n3)-n3cc(C=O)c(n3)-c3ccc(Cl)cc3)c(=O)oc12 Show InChI InChI=1S/C23H14ClN3O4S/c1-30-19-4-2-3-14-9-17(22(29)31-21(14)19)18-12-32-23(25-18)27-10-15(11-28)20(26-27)13-5-7-16(24)8-6-13/h2-12H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human microsomal CYP2A6				Bioorg Med Chem Lett 25: 5797-803 (2015) Article DOI: 10.1016/j.bmcl.2015.10.042 BindingDB Entry DOI: 10.7270/Q2J67KXF
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM50499776 (CHEMBL3740335) Show SMILES Brc1cc(Br)c2oc(=O)c(cc2c1)-c1csc(n1)-n1cc(C=O)c(n1)-c1ccccc1 Show InChI InChI=1S/C22H11Br2N3O3S/c23-15-6-13-7-16(21(29)30-20(13)17(24)8-15)18-11-31-22(25-18)27-9-14(10-28)19(26-27)12-4-2-1-3-5-12/h1-11H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human microsomal CYP2A6				Bioorg Med Chem Lett 25: 5797-803 (2015) Article DOI: 10.1016/j.bmcl.2015.10.042 BindingDB Entry DOI: 10.7270/Q2J67KXF
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM50499781 (CHEMBL3742302) Show SMILES Brc1ccc2oc(=O)c(cc2c1)-c1csc(n1)-n1cc(C=O)c(n1)-c1ccccc1 Show InChI InChI=1S/C22H12BrN3O3S/c23-16-6-7-19-14(8-16)9-17(21(28)29-19)18-12-30-22(24-18)26-10-15(11-27)20(25-26)13-4-2-1-3-5-13/h1-12H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human microsomal CYP2A6				Bioorg Med Chem Lett 25: 5797-803 (2015) Article DOI: 10.1016/j.bmcl.2015.10.042 BindingDB Entry DOI: 10.7270/Q2J67KXF
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM50613945 (CHEMBL5289073) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM50342656 (CHEMBL1770735 | benzo[b]thiophen-2-ylmethanamine) Show SMILES NCc1cc2ccccc2s1 Show InChI InChI=1S/C9H9NS/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-5H,6,10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of human CYP2A6 in baculovirus-infected insect cell system using coumarin 7 as substrate preincubated for 10 mins by fluorescence assay				Bioorg Med Chem 22: 6655-64 (2015) Article DOI: 10.1016/j.bmc.2014.10.001 BindingDB Entry DOI: 10.7270/Q2V40WT8
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM50499786 (CHEMBL3740529) Show SMILES Cc1ccc(cc1)-c1nn(cc1C=O)-c1nc(cs1)-c1cc2ccccc2oc1=O Show InChI InChI=1S/C23H15N3O3S/c1-14-6-8-15(9-7-14)21-17(12-27)11-26(25-21)23-24-19(13-30-23)18-10-16-4-2-3-5-20(16)29-22(18)28/h2-13H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human microsomal CYP2A6				Bioorg Med Chem Lett 25: 5797-803 (2015) Article DOI: 10.1016/j.bmcl.2015.10.042 BindingDB Entry DOI: 10.7270/Q2J67KXF
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM50499779 (CHEMBL3739672) Show SMILES Clc1ccc(cc1)-c1nn(cc1C=O)-c1nc(cs1)-c1cc2cc(Br)ccc2oc1=O Show InChI InChI=1S/C22H11BrClN3O3S/c23-15-3-6-19-13(7-15)8-17(21(29)30-19)18-11-31-22(25-18)27-9-14(10-28)20(26-27)12-1-4-16(24)5-2-12/h1-11H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human microsomal CYP2A6				Bioorg Med Chem Lett 25: 5797-803 (2015) Article DOI: 10.1016/j.bmcl.2015.10.042 BindingDB Entry DOI: 10.7270/Q2J67KXF
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM50499785 (CHEMBL3739579) Show SMILES O=Cc1cn(nc1-c1ccccc1)-c1nc(cs1)-c1cc2ccccc2oc1=O Show InChI InChI=1S/C22H13N3O3S/c26-12-16-11-25(24-20(16)14-6-2-1-3-7-14)22-23-18(13-29-22)17-10-15-8-4-5-9-19(15)28-21(17)27/h1-13H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human microsomal CYP2A6				Bioorg Med Chem Lett 25: 5797-803 (2015) Article DOI: 10.1016/j.bmcl.2015.10.042 BindingDB Entry DOI: 10.7270/Q2J67KXF
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM50499778 (CHEMBL3740695) Show SMILES Clc1ccc(cc1)-c1nn(cc1C=O)-c1nc(cs1)-c1cc2cc(Cl)ccc2oc1=O Show InChI InChI=1S/C22H11Cl2N3O3S/c23-15-3-1-12(2-4-15)20-14(10-28)9-27(26-20)22-25-18(11-31-22)17-8-13-7-16(24)5-6-19(13)30-21(17)29/h1-11H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human microsomal CYP2A6				Bioorg Med Chem Lett 25: 5797-803 (2015) Article DOI: 10.1016/j.bmcl.2015.10.042 BindingDB Entry DOI: 10.7270/Q2J67KXF
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM12341 (CHEMBL178681 | CHEMBL359657 | US8609708, 1 | US860...) Show SMILES NCc1ccc(s1)-c1cccnc1 Show InChI InChI=1S/C10H10N2S/c11-6-9-3-4-10(13-9)8-2-1-5-12-7-8/h1-5,7H,6,11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute Curated by ChEMBL					Assay Description Effect on coumarin 7-hydroxylation by human Cytochrome P-450 2A6				J Med Chem 48: 224-39 (2005) Article DOI: 10.1021/jm049696n BindingDB Entry DOI: 10.7270/Q2T154DB
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM50613946 (5-Allyloxycoumarin | CHEMBL450963) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM12345 (CHEMBL178090 | US8609708, 2 | US8609708, 47 | [5-(...) Show SMILES NCc1ccc(o1)-c1cccnc1 Show InChI InChI=1S/C10H10N2O/c11-6-9-3-4-10(13-9)8-2-1-5-12-7-8/h1-5,7H,6,11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute Curated by ChEMBL					Assay Description Effect on coumarin 7-hydroxylation by human Cytochrome P-450 2A6				J Med Chem 48: 224-39 (2005) Article DOI: 10.1021/jm049696n BindingDB Entry DOI: 10.7270/Q2T154DB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM50613944 (CHEMBL502746) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM50037776 (CHEMBL3358193) Show SMILES O=Cc1cc2ccncc2s1 Show InChI InChI=1S/C8H5NOS/c10-5-7-3-6-1-2-9-4-8(6)11-7/h1-5H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of human CYP2A6 in baculovirus-infected insect cell system using coumarin 7 as substrate preincubated for 10 mins by fluorescence assay				Bioorg Med Chem 22: 6655-64 (2015) Article DOI: 10.1016/j.bmc.2014.10.001 BindingDB Entry DOI: 10.7270/Q2V40WT8
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM50037779 (CHEMBL3358215) Show SMILES O=Cc1ccc2occc2c1 Show InChI InChI=1S/C9H6O2/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-6H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of human CYP2A6 in baculovirus-infected insect cell system using coumarin 7 as substrate preincubated for 10 mins by fluorescence assay				Bioorg Med Chem 22: 6655-64 (2015) Article DOI: 10.1016/j.bmc.2014.10.001 BindingDB Entry DOI: 10.7270/Q2V40WT8
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM50037778 (CHEMBL3358192) Show SMILES O=Cc1cc2cnccc2s1 Show InChI InChI=1S/C8H5NOS/c10-5-7-3-6-4-9-2-1-8(6)11-7/h1-5H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of human CYP2A6 in baculovirus-infected insect cell system using coumarin 7 as substrate preincubated for 10 mins by fluorescence assay				Bioorg Med Chem 22: 6655-64 (2015) Article DOI: 10.1016/j.bmc.2014.10.001 BindingDB Entry DOI: 10.7270/Q2V40WT8
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM50037782 (CHEMBL3358223) Show SMILES O=Cc1ccc2[nH]ccc2c1 Show InChI InChI=1S/C9H7NO/c11-6-7-1-2-9-8(5-7)3-4-10-9/h1-6,10H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of human CYP2A6 in baculovirus-infected insect cell system using coumarin 7 as substrate preincubated for 10 mins by fluorescence assay				Bioorg Med Chem 22: 6655-64 (2015) Article DOI: 10.1016/j.bmc.2014.10.001 BindingDB Entry DOI: 10.7270/Q2V40WT8
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM50613947 (CHEMBL448936) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM12341 (CHEMBL178681 | CHEMBL359657 | US8609708, 1 | US860...) Show SMILES NCc1ccc(s1)-c1cccnc1 Show InChI InChI=1S/C10H10N2S/c11-6-9-3-4-10(13-9)8-2-1-5-12-7-8/h1-5,7H,6,11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	80	-10.1	n/a	n/a	n/a	n/a	n/a	7.5	37
Human BioMolecular Research Institute					Assay Description To measure CYP2A6 activity, coumarin 7-hydroxylation was determined. The formation of the coumarin metabolite, 7-hydroxycoumarin, was determined fluo...				J Med Chem 49: 6987-7001 (2006) Article DOI: 10.1021/jm060519r BindingDB Entry DOI: 10.7270/Q2513WF7
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM50041234 (6-hydroxy-7-methoxy-5-benzofuranacrylic acid delta...) Show SMILES COc1c2occc2cc2ccc(=O)oc12 Show InChI InChI=1S/C12H8O4/c1-14-12-10-8(4-5-15-10)6-7-2-3-9(13)16-11(7)12/h2-6H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM50037774 (CHEMBL3358194) Show SMILES NCc1csc2ccc(Cl)cc12 Show InChI InChI=1S/C9H8ClNS/c10-7-1-2-9-8(3-7)6(4-11)5-12-9/h1-3,5H,4,11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of human CYP2A6 in baculovirus-infected insect cell system using coumarin 7 as substrate preincubated for 10 mins by fluorescence assay				Bioorg Med Chem 22: 6655-64 (2015) Article DOI: 10.1016/j.bmc.2014.10.001 BindingDB Entry DOI: 10.7270/Q2V40WT8
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM12348 (3-(pyridin-3-yl)prop-2-yn-1-amine | CHEMBL360541 |...) Show SMILES NCC#Cc1cccnc1 Show InChI InChI=1S/C8H8N2/c9-5-1-3-8-4-2-6-10-7-8/h2,4,6-7H,5,9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute Curated by ChEMBL					Assay Description Effect on coumarin 7-hydroxylation by human Cytochrome P-450 2A6				J Med Chem 48: 224-39 (2005) Article DOI: 10.1021/jm049696n BindingDB Entry DOI: 10.7270/Q2T154DB
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM12345 (CHEMBL178090 | US8609708, 2 | US8609708, 47 | [5-(...) Show SMILES NCc1ccc(o1)-c1cccnc1 Show InChI InChI=1S/C10H10N2O/c11-6-9-3-4-10(13-9)8-2-1-5-12-7-8/h1-5,7H,6,11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	100	-9.93	n/a	n/a	n/a	n/a	n/a	7.5	37
Human BioMolecular Research Institute					Assay Description To measure CYP2A6 activity, coumarin 7-hydroxylation was determined. The formation of the coumarin metabolite, 7-hydroxycoumarin, was determined fluo...				J Med Chem 49: 6987-7001 (2006) Article DOI: 10.1021/jm060519r BindingDB Entry DOI: 10.7270/Q2513WF7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM12351 (3-(3-methylthiophen-2-yl)pyridine | CHEMBL179669 |...) Show SMILES Cc1ccsc1-c1cccnc1 Show InChI InChI=1S/C10H9NS/c1-8-4-6-12-10(8)9-3-2-5-11-7-9/h2-7H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute Curated by ChEMBL					Assay Description Effect on coumarin 7-hydroxylation by human Cytochrome P-450 2A6				J Med Chem 48: 224-39 (2005) Article DOI: 10.1021/jm049696n BindingDB Entry DOI: 10.7270/Q2T154DB
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM50037780 (CHEMBL3358216) Show SMILES N#Cc1ccc2occc2c1 Show InChI InChI=1S/C9H5NO/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-5H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of human CYP2A6 in baculovirus-infected insect cell system using coumarin 7 as substrate preincubated for 10 mins by fluorescence assay				Bioorg Med Chem 22: 6655-64 (2015) Article DOI: 10.1016/j.bmc.2014.10.001 BindingDB Entry DOI: 10.7270/Q2V40WT8
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM50037716 (CHEMBL3358202) Show SMILES O=Cc1cc2ccccc2s1 Show InChI InChI=1S/C9H6OS/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-6H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Irreversible inhibition of human CYP2A6 in baculovirus-infected insect cell system using coumarin 7 as substrate incubated for 10 mins by fluorescenc...				Bioorg Med Chem 22: 6655-64 (2015) Article DOI: 10.1016/j.bmc.2014.10.001 BindingDB Entry DOI: 10.7270/Q2V40WT8
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM50240772 ((1R,2S)-(-)-2-phenylcyclopropylamine | (1R,2S)-2-p...) Show SMILES N[C@@H]1C[C@H]1c1ccccc1 |r| Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8-,9+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Mixed inhibition of CYP2A6 (unknown origin)				Drug Metab Dispos 40: 1797-802 (2012) Article DOI: 10.1124/dmd.112.045161 BindingDB Entry DOI: 10.7270/Q2BK1F3P
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM50158920 (3-(3-Methyl-1H-imidazol-4-yl)-pyridine | CHEMBL179...) Show SMILES C[n+]1c[nH]cc1-c1cccnc1 Show InChI InChI=1S/C9H9N3/c1-12-7-11-6-9(12)8-3-2-4-10-5-8/h2-7H,1H3/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute Curated by ChEMBL					Assay Description Effect on coumarin 7-hydroxylation by human Cytochrome P-450 2A6				J Med Chem 48: 224-39 (2005) Article DOI: 10.1021/jm049696n BindingDB Entry DOI: 10.7270/Q2T154DB
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM12352 (3-(1-methyl-1H-imidazol-4-yl)pyridine | CHEMBL3609...) Show SMILES Cn1cnc(c1)-c1cccnc1 Show InChI InChI=1S/C9H9N3/c1-12-6-9(11-7-12)8-3-2-4-10-5-8/h2-7H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute Curated by ChEMBL					Assay Description Effect on coumarin 7-hydroxylation by human Cytochrome P-450 2A6				J Med Chem 48: 224-39 (2005) Article DOI: 10.1021/jm049696n BindingDB Entry DOI: 10.7270/Q2T154DB
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM50158922 (3-(4-Methyl-imidazol-1-yl)-pyridine | CHEMBL178781) Show SMILES Cc1cn(cn1)-c1cccnc1 Show InChI InChI=1S/C9H9N3/c1-8-6-12(7-11-8)9-3-2-4-10-5-9/h2-7H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute Curated by ChEMBL					Assay Description Effect on coumarin 7-hydroxylation by human Cytochrome P-450 2A6				J Med Chem 48: 224-39 (2005) Article DOI: 10.1021/jm049696n BindingDB Entry DOI: 10.7270/Q2T154DB
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM50158946 (3-Methyl-5-(4-methyl-thiophen-3-yl)-pyridine | CHE...) Show SMILES Cc1cscc1-c1cncc(C)c1 Show InChI InChI=1S/C11H11NS/c1-8-3-10(5-12-4-8)11-7-13-6-9(11)2/h3-7H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute Curated by ChEMBL					Assay Description Effect on coumarin 7-hydroxylation by human Cytochrome P-450 2A6				J Med Chem 48: 224-39 (2005) Article DOI: 10.1021/jm049696n BindingDB Entry DOI: 10.7270/Q2T154DB
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM12343 (CHEMBL369285 | US8609708, 9 | methyl({[5-(pyridin-...) Show SMILES CNCc1ccc(s1)-c1cccnc1 Show InChI InChI=1S/C11H12N2S/c1-12-8-10-4-5-11(14-10)9-3-2-6-13-7-9/h2-7,12H,8H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute Curated by ChEMBL					Assay Description Effect on coumarin 7-hydroxylation by human Cytochrome P-450 2A6				J Med Chem 48: 224-39 (2005) Article DOI: 10.1021/jm049696n BindingDB Entry DOI: 10.7270/Q2T154DB
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM50037780 (CHEMBL3358216) Show SMILES N#Cc1ccc2occc2c1 Show InChI InChI=1S/C9H5NO/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-5H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Irreversible inhibition of human CYP2A6 in baculovirus-infected insect cell system assessed as nicotine metabolism after 15 mins				Bioorg Med Chem 22: 6655-64 (2015) Article DOI: 10.1016/j.bmc.2014.10.001 BindingDB Entry DOI: 10.7270/Q2V40WT8
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM50037724 (CHEMBL3358196) Show SMILES NCc1csc2ccc(Br)cc12 Show InChI InChI=1S/C9H8BrNS/c10-7-1-2-9-8(3-7)6(4-11)5-12-9/h1-3,5H,4,11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of human CYP2A6 in baculovirus-infected insect cell system using coumarin 7 as substrate preincubated for 10 mins by fluorescence assay				Bioorg Med Chem 22: 6655-64 (2015) Article DOI: 10.1016/j.bmc.2014.10.001 BindingDB Entry DOI: 10.7270/Q2V40WT8
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM12354 (2-fluoro-5-(3-methylthiophen-2-yl)pyridine | CHEMB...) Show SMILES Cc1ccsc1-c1ccc(F)nc1 Show InChI InChI=1S/C10H8FNS/c1-7-4-5-13-10(7)8-2-3-9(11)12-6-8/h2-6H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute Curated by ChEMBL					Assay Description Effect on coumarin 7-hydroxylation by human Cytochrome P-450 2A6				J Med Chem 48: 224-39 (2005) Article DOI: 10.1021/jm049696n BindingDB Entry DOI: 10.7270/Q2T154DB
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM12355 (3-(thiophen-3-yl)pyridine | CHEMBL361153 | US86097...) Show SMILES c1cc(cs1)-c1cccnc1 Show InChI InChI=1S/C9H7NS/c1-2-8(6-10-4-1)9-3-5-11-7-9/h1-7H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute Curated by ChEMBL					Assay Description Effect on coumarin 7-hydroxylation by human Cytochrome P-450 2A6				J Med Chem 48: 224-39 (2005) Article DOI: 10.1021/jm049696n BindingDB Entry DOI: 10.7270/Q2T154DB
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM50158914 (3-(1-Benzyl-1H-imidazol-4-yl)-pyridine | CHEMBL178...) Show SMILES C(c1ccccc1)n1cnc(c1)-c1cccnc1 Show InChI InChI=1S/C15H13N3/c1-2-5-13(6-3-1)10-18-11-15(17-12-18)14-7-4-8-16-9-14/h1-9,11-12H,10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute Curated by ChEMBL					Assay Description Effect on coumarin 7-hydroxylation by human Cytochrome P-450 2A6				J Med Chem 48: 224-39 (2005) Article DOI: 10.1021/jm049696n BindingDB Entry DOI: 10.7270/Q2T154DB
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM50158923 (5-Pyridin-3-yl-thiophene-2-carbaldehyde oxime | CH...) Show SMILES O=NCc1ccc(s1)-c1cccnc1 Show InChI InChI=1S/C10H8N2OS/c13-12-7-9-3-4-10(14-9)8-2-1-5-11-6-8/h1-6H,7H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute Curated by ChEMBL					Assay Description Effect on coumarin 7-hydroxylation by human Cytochrome P-450 2A6				J Med Chem 48: 224-39 (2005) Article DOI: 10.1021/jm049696n BindingDB Entry DOI: 10.7270/Q2T154DB
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM12356 (3-(2-methyl-1H-imidazol-1-yl)pyridine | CHEMBL3688...) Show SMILES Cc1nccn1-c1cccnc1 Show InChI InChI=1S/C9H9N3/c1-8-11-5-6-12(8)9-3-2-4-10-7-9/h2-7H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute Curated by ChEMBL					Assay Description Effect on coumarin 7-hydroxylation by human Cytochrome P-450 2A6				J Med Chem 48: 224-39 (2005) Article DOI: 10.1021/jm049696n BindingDB Entry DOI: 10.7270/Q2T154DB
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM12358 (3-(4-methylthiophen-3-yl)pyridine | CHEMBL179704 |...) Show SMILES Cc1cscc1-c1cccnc1 Show InChI InChI=1S/C10H9NS/c1-8-6-12-7-10(8)9-3-2-4-11-5-9/h2-7H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute Curated by ChEMBL					Assay Description Effect on coumarin 7-hydroxylation by human Cytochrome P-450 2A6				J Med Chem 48: 224-39 (2005) Article DOI: 10.1021/jm049696n BindingDB Entry DOI: 10.7270/Q2T154DB
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM12357 (3-(1H-imidazol-4-yl)pyridine | CHEMBL178516 | JMC5...) Show SMILES c1nc(c[nH]1)-c1cccnc1 Show InChI InChI=1S/C8H7N3/c1-2-7(4-9-3-1)8-5-10-6-11-8/h1-6H,(H,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute Curated by ChEMBL					Assay Description Effect on coumarin 7-hydroxylation by human Cytochrome P-450 2A6				J Med Chem 48: 224-39 (2005) Article DOI: 10.1021/jm049696n BindingDB Entry DOI: 10.7270/Q2T154DB
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM50041234 (6-hydroxy-7-methoxy-5-benzofuranacrylic acid delta...) Show SMILES COc1c2occc2cc2ccc(=O)oc12 Show InChI InChI=1S/C12H8O4/c1-14-12-10-8(4-5-15-10)6-7-2-3-9(13)16-11(7)12/h2-6H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Mixed inhibition of CYP2A6 (unknown origin)				Drug Metab Dispos 40: 1797-802 (2012) Article DOI: 10.1124/dmd.112.045161 BindingDB Entry DOI: 10.7270/Q2BK1F3P
					More data for this Ligand-Target Pair				3D Structure (crystal)

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