Compile Data Set for Download or QSAR

Found 74 hits with Last Name = 'woggon' and Initial = 'wd'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50134247 (4-(10-{4-[2-((6S,10R,17S)-17-Hydroxy-10-methyl-3-o...) Show SMILES CCOC(=O)CCCn1c(=O)nc2n(CCCCOC(=O)C[C@@H]3CC4C5CC[C@H](O)C5CCC4[C@@]4(C)CCC(=O)C=C34)c3ccccc3cc2c1=O |t:42| Show InChI InChI=1S/C41H51N3O8/c1-3-51-36(47)11-8-19-44-39(49)31-21-25-9-4-5-10-34(25)43(38(31)42-40(44)50)18-6-7-20-52-37(48)23-26-22-30-28-13-15-35(46)29(28)12-14-32(30)41(2)17-16-27(45)24-33(26)41/h4-5,9-10,21,24,26,28-30,32,35,46H,3,6-8,11-20,22-23H2,1-2H3/t26-,28?,29?,30?,32?,35-,41+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibition of Cytochrome P450 3A4 with midazolam (4-OH)				Bioorg Med Chem Lett 13: 3643-5 (2003) BindingDB Entry DOI: 10.7270/Q2XG9RP9
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50134247 (4-(10-{4-[2-((6S,10R,17S)-17-Hydroxy-10-methyl-3-o...) Show SMILES CCOC(=O)CCCn1c(=O)nc2n(CCCCOC(=O)C[C@@H]3CC4C5CC[C@H](O)C5CCC4[C@@]4(C)CCC(=O)C=C34)c3ccccc3cc2c1=O |t:42| Show InChI InChI=1S/C41H51N3O8/c1-3-51-36(47)11-8-19-44-39(49)31-21-25-9-4-5-10-34(25)43(38(31)42-40(44)50)18-6-7-20-52-37(48)23-26-22-30-28-13-15-35(46)29(28)12-14-32(30)41(2)17-16-27(45)24-33(26)41/h4-5,9-10,21,24,26,28-30,32,35,46H,3,6-8,11-20,22-23H2,1-2H3/t26-,28?,29?,30?,32?,35-,41+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibition of Cytochrome P450 3A4 with midazolam (4-OH)				Bioorg Med Chem Lett 13: 3643-5 (2003) BindingDB Entry DOI: 10.7270/Q2XG9RP9
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM84668 (1-Subsituted 1H-imidazole, 3) Show SMILES CCCCCn1ccnc1 Show InChI InChI=1S/C8H14N2/c1-2-3-4-6-10-7-5-9-8-10/h5,7-8H,2-4,6H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	7.6	37
University of Basel					Assay Description Inhibition assay using cytochrome P450 enzyme CYP2A6 and CYP2A13.				Chembiochem 10: 1562-7 (2009) Article DOI: 10.1002/cbic.200800712 BindingDB Entry DOI: 10.7270/Q2R78CR9
					More data for this Ligand-Target Pair
Cytochrome P450 2A13 (Homo sapiens (Human))	BDBM84669 (1-Subsituted 1H-imidazole, 4) Show SMILES CCCCCCn1ccnc1 Show InChI InChI=1S/C9H16N2/c1-2-3-4-5-7-11-8-6-10-9-11/h6,8-9H,2-5,7H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	7.6	37
University of Basel					Assay Description Inhibition assay using cytochrome P450 enzyme CYP2A6 and CYP2A13.				Chembiochem 10: 1562-7 (2009) Article DOI: 10.1002/cbic.200800712 BindingDB Entry DOI: 10.7270/Q2R78CR9
					More data for this Ligand-Target Pair
Cytochrome P450 2A13 (Homo sapiens (Human))	BDBM84676 (1-Subsituted 1H-imidazole, 13) Show SMILES C=CCCCCn1ccnc1 Show InChI InChI=1S/C9H14N2/c1-2-3-4-5-7-11-8-6-10-9-11/h2,6,8-9H,1,3-5,7H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	7.6	37
University of Basel					Assay Description Inhibition assay using cytochrome P450 enzyme CYP2A6 and CYP2A13.				Chembiochem 10: 1562-7 (2009) Article DOI: 10.1002/cbic.200800712 BindingDB Entry DOI: 10.7270/Q2R78CR9
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50134247 (4-(10-{4-[2-((6S,10R,17S)-17-Hydroxy-10-methyl-3-o...) Show SMILES CCOC(=O)CCCn1c(=O)nc2n(CCCCOC(=O)C[C@@H]3CC4C5CC[C@H](O)C5CCC4[C@@]4(C)CCC(=O)C=C34)c3ccccc3cc2c1=O |t:42| Show InChI InChI=1S/C41H51N3O8/c1-3-51-36(47)11-8-19-44-39(49)31-21-25-9-4-5-10-34(25)43(38(31)42-40(44)50)18-6-7-20-52-37(48)23-26-22-30-28-13-15-35(46)29(28)12-14-32(30)41(2)17-16-27(45)24-33(26)41/h4-5,9-10,21,24,26,28-30,32,35,46H,3,6-8,11-20,22-23H2,1-2H3/t26-,28?,29?,30?,32?,35-,41+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibition of Cytochrome P450 3A4 with testosterone				Bioorg Med Chem Lett 13: 3643-5 (2003) BindingDB Entry DOI: 10.7270/Q2XG9RP9
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM84669 (1-Subsituted 1H-imidazole, 4) Show SMILES CCCCCCn1ccnc1 Show InChI InChI=1S/C9H16N2/c1-2-3-4-5-7-11-8-6-10-9-11/h6,8-9H,2-5,7H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	7.6	37
University of Basel					Assay Description Inhibition assay using cytochrome P450 enzyme CYP2A6 and CYP2A13.				Chembiochem 10: 1562-7 (2009) Article DOI: 10.1002/cbic.200800712 BindingDB Entry DOI: 10.7270/Q2R78CR9
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM84671 (1-Subsituted 1H-imidazole, 7) Show SMILES CC(C)CCn1ccnc1 Show InChI InChI=1S/C8H14N2/c1-8(2)3-5-10-6-4-9-7-10/h4,6-8H,3,5H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	7.6	37
University of Basel					Assay Description Inhibition assay using cytochrome P450 enzyme CYP2A6 and CYP2A13.				Chembiochem 10: 1562-7 (2009) Article DOI: 10.1002/cbic.200800712 BindingDB Entry DOI: 10.7270/Q2R78CR9
					More data for this Ligand-Target Pair
Cytochrome P450 2A13 (Homo sapiens (Human))	BDBM84670 (1-Subsituted 1H-imidazole, 5) Show SMILES CCCCCCCn1ccnc1 Show InChI InChI=1S/C10H18N2/c1-2-3-4-5-6-8-12-9-7-11-10-12/h7,9-10H,2-6,8H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	7.6	37
University of Basel					Assay Description Inhibition assay using cytochrome P450 enzyme CYP2A6 and CYP2A13.				Chembiochem 10: 1562-7 (2009) Article DOI: 10.1002/cbic.200800712 BindingDB Entry DOI: 10.7270/Q2R78CR9
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50134247 (4-(10-{4-[2-((6S,10R,17S)-17-Hydroxy-10-methyl-3-o...) Show SMILES CCOC(=O)CCCn1c(=O)nc2n(CCCCOC(=O)C[C@@H]3CC4C5CC[C@H](O)C5CCC4[C@@]4(C)CCC(=O)C=C34)c3ccccc3cc2c1=O |t:42| Show InChI InChI=1S/C41H51N3O8/c1-3-51-36(47)11-8-19-44-39(49)31-21-25-9-4-5-10-34(25)43(38(31)42-40(44)50)18-6-7-20-52-37(48)23-26-22-30-28-13-15-35(46)29(28)12-14-32(30)41(2)17-16-27(45)24-33(26)41/h4-5,9-10,21,24,26,28-30,32,35,46H,3,6-8,11-20,22-23H2,1-2H3/t26-,28?,29?,30?,32?,35-,41+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibition of Cytochrome P450 3A4 with midazolam (1'-OH)				Bioorg Med Chem Lett 13: 3643-5 (2003) BindingDB Entry DOI: 10.7270/Q2XG9RP9
					More data for this Ligand-Target Pair
Cytochrome P450 2A13 (Homo sapiens (Human))	BDBM84668 (1-Subsituted 1H-imidazole, 3) Show SMILES CCCCCn1ccnc1 Show InChI InChI=1S/C8H14N2/c1-2-3-4-6-10-7-5-9-8-10/h5,7-8H,2-4,6H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a	7.6	37
University of Basel					Assay Description Inhibition assay using cytochrome P450 enzyme CYP2A6 and CYP2A13.				Chembiochem 10: 1562-7 (2009) Article DOI: 10.1002/cbic.200800712 BindingDB Entry DOI: 10.7270/Q2R78CR9
					More data for this Ligand-Target Pair
Cytochrome P450 2A13 (Homo sapiens (Human))	BDBM84674 (1-Subsituted 1H-imidazole, 11 | 1-Subsituted 1H-im...) Show SMILES CC\C=C\CCn1ccnc1 Show InChI InChI=1S/C9H14N2/c1-2-3-4-5-7-11-8-6-10-9-11/h3-4,6,8-9H,2,5,7H2,1H3/b4-3+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	7.6	37
University of Basel					Assay Description Inhibition assay using cytochrome P450 enzyme CYP2A6 and CYP2A13.				Chembiochem 10: 1562-7 (2009) Article DOI: 10.1002/cbic.200800712 BindingDB Entry DOI: 10.7270/Q2R78CR9
					More data for this Ligand-Target Pair
Cytochrome P450 2A13 (Homo sapiens (Human))	BDBM84671 (1-Subsituted 1H-imidazole, 7) Show SMILES CC(C)CCn1ccnc1 Show InChI InChI=1S/C8H14N2/c1-8(2)3-5-10-6-4-9-7-10/h4,6-8H,3,5H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	7.6	37
University of Basel					Assay Description Inhibition assay using cytochrome P450 enzyme CYP2A6 and CYP2A13.				Chembiochem 10: 1562-7 (2009) Article DOI: 10.1002/cbic.200800712 BindingDB Entry DOI: 10.7270/Q2R78CR9
					More data for this Ligand-Target Pair
Cytochrome P450 2A13 (Homo sapiens (Human))	BDBM84672 (1-Subsituted 1H-imidazole, 9) Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-n1ccnc1 Show InChI InChI=1S/C8H12N2/c1-8(2)3-5-10-6-4-9-7-10/h3-4,6-7H,5H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a	7.6	37
University of Basel					Assay Description Inhibition assay using cytochrome P450 enzyme CYP2A6 and CYP2A13.				Chembiochem 10: 1562-7 (2009) Article DOI: 10.1002/cbic.200800712 BindingDB Entry DOI: 10.7270/Q2R78CR9
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM84677 (1-Subsituted 1H-imidazole, 14) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]/[#6]-n1ccnc1 Show InChI InChI=1S/C13H20N2/c1-12(2)5-4-6-13(3)7-9-15-10-8-14-11-15/h5,7-8,10-11H,4,6,9H2,1-3H3/b13-7-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a	7.6	37
University of Basel					Assay Description Inhibition assay using cytochrome P450 enzyme CYP2A6 and CYP2A13.				Chembiochem 10: 1562-7 (2009) Article DOI: 10.1002/cbic.200800712 BindingDB Entry DOI: 10.7270/Q2R78CR9
					More data for this Ligand-Target Pair
Cytochrome P450 2A13 (Homo sapiens (Human))	BDBM84677 (1-Subsituted 1H-imidazole, 14) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]/[#6]-n1ccnc1 Show InChI InChI=1S/C13H20N2/c1-12(2)5-4-6-13(3)7-9-15-10-8-14-11-15/h5,7-8,10-11H,4,6,9H2,1-3H3/b13-7-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	6.50E+3	n/a	n/a	n/a	n/a	7.6	37
University of Basel					Assay Description Inhibition assay using cytochrome P450 enzyme CYP2A6 and CYP2A13.				Chembiochem 10: 1562-7 (2009) Article DOI: 10.1002/cbic.200800712 BindingDB Entry DOI: 10.7270/Q2R78CR9
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM84673 (1-Subsituted 1H-imidazole, 10) Show SMILES CC\C=C\Cn1ccnc1 Show InChI InChI=1S/C8H12N2/c1-2-3-4-6-10-7-5-9-8-10/h3-5,7-8H,2,6H2,1H3/b4-3+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.70E+3	n/a	n/a	n/a	n/a	7.6	37
University of Basel					Assay Description Inhibition assay using cytochrome P450 enzyme CYP2A6 and CYP2A13.				Chembiochem 10: 1562-7 (2009) Article DOI: 10.1002/cbic.200800712 BindingDB Entry DOI: 10.7270/Q2R78CR9
					More data for this Ligand-Target Pair
Cytochrome P450 2A13 (Homo sapiens (Human))	BDBM84674 (1-Subsituted 1H-imidazole, 11 | 1-Subsituted 1H-im...) Show SMILES CC\C=C\CCn1ccnc1 Show InChI InChI=1S/C9H14N2/c1-2-3-4-5-7-11-8-6-10-9-11/h3-4,6,8-9H,2,5,7H2,1H3/b4-3+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.80E+3	n/a	n/a	n/a	n/a	7.6	37
University of Basel					Assay Description Inhibition assay using cytochrome P450 enzyme CYP2A6 and CYP2A13.				Chembiochem 10: 1562-7 (2009) Article DOI: 10.1002/cbic.200800712 BindingDB Entry DOI: 10.7270/Q2R78CR9
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM84674 (1-Subsituted 1H-imidazole, 11 | 1-Subsituted 1H-im...) Show SMILES CC\C=C\CCn1ccnc1 Show InChI InChI=1S/C9H14N2/c1-2-3-4-5-7-11-8-6-10-9-11/h3-4,6,8-9H,2,5,7H2,1H3/b4-3+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.10E+3	n/a	n/a	n/a	n/a	7.6	37
University of Basel					Assay Description Inhibition assay using cytochrome P450 enzyme CYP2A6 and CYP2A13.				Chembiochem 10: 1562-7 (2009) Article DOI: 10.1002/cbic.200800712 BindingDB Entry DOI: 10.7270/Q2R78CR9
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM84672 (1-Subsituted 1H-imidazole, 9) Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-n1ccnc1 Show InChI InChI=1S/C8H12N2/c1-8(2)3-5-10-6-4-9-7-10/h3-4,6-7H,5H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.70E+3	n/a	n/a	n/a	n/a	7.6	37
University of Basel					Assay Description Inhibition assay using cytochrome P450 enzyme CYP2A6 and CYP2A13.				Chembiochem 10: 1562-7 (2009) Article DOI: 10.1002/cbic.200800712 BindingDB Entry DOI: 10.7270/Q2R78CR9
					More data for this Ligand-Target Pair
Cytochrome P450 2A13 (Homo sapiens (Human))	BDBM84694 (2-Subsituted pyrazine, 34) Show SMILES C=CCCCCCc1cnccn1 Show InChI InChI=1S/C11H16N2/c1-2-3-4-5-6-7-11-10-12-8-9-13-11/h2,8-10H,1,3-7H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.80E+3	n/a	n/a	n/a	n/a	7.6	37
University of Basel					Assay Description Inhibition assay using cytochrome P450 enzyme CYP2A6 and CYP2A13.				Chembiochem 10: 1562-7 (2009) Article DOI: 10.1002/cbic.200800712 BindingDB Entry DOI: 10.7270/Q2R78CR9
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50134248 (Alpha-Hydroxy-Midazolam | CHEMBL1188 | US9333197, ...) Show SMILES OCc1ncc2CN=C(c3ccccc3F)c3cc(Cl)ccc3-n12 |t:7| Show InChI InChI=1S/C18H13ClFN3O/c19-11-5-6-16-14(7-11)18(13-3-1-2-4-15(13)20)22-9-12-8-21-17(10-24)23(12)16/h1-8,24H,9-10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Binding affinity for Cytochrome P450 3A4; Range = 1-10 uM				Bioorg Med Chem Lett 13: 3643-5 (2003) BindingDB Entry DOI: 10.7270/Q2XG9RP9
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50336640 ((nifedipine) 2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-d...) Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1ccccc1[N+]([O-])=O |c:13,t:10| Show InChI InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,13,15H,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Binding affinity for Cytochrome P450 3A4; Range = 1-10 uM				Bioorg Med Chem Lett 13: 3643-5 (2003) BindingDB Entry DOI: 10.7270/Q2XG9RP9
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50134246 (8-Chloro-6-(2-fluoro-phenyl)-4H-2,5,10b-triaza-ben...) Show SMILES OC1N=C(c2ccccc2F)c2cc(Cl)ccc2-n2cncc12 |t:2| Show InChI InChI=1S/C17H11ClFN3O/c18-10-5-6-14-12(7-10)16(11-3-1-2-4-13(11)19)21-17(23)15-8-20-9-22(14)15/h1-9,17,23H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Binding affinity for Cytochrome P450 3A4; Range = 1-10 uM				Bioorg Med Chem Lett 13: 3643-5 (2003) BindingDB Entry DOI: 10.7270/Q2XG9RP9
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM8885 ((1S,2R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethylte...) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:18| Show InChI InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars	DrugBank PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Binding affinity for Cytochrome P450 3A4; Range = 1-10 uM				Bioorg Med Chem Lett 13: 3643-5 (2003) BindingDB Entry DOI: 10.7270/Q2XG9RP9
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM84695 (2-Subsituted pyrazine, 35) Show SMILES C(Cc1cnccn1)C1CC1 Show InChI InChI=1S/C9H12N2/c1-2-8(1)3-4-9-7-10-5-6-11-9/h5-8H,1-4H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.03E+4	n/a	n/a	n/a	n/a	7.6	37
University of Basel					Assay Description Inhibition assay using cytochrome P450 enzyme CYP2A6 and CYP2A13.				Chembiochem 10: 1562-7 (2009) Article DOI: 10.1002/cbic.200800712 BindingDB Entry DOI: 10.7270/Q2R78CR9
					More data for this Ligand-Target Pair
Cytochrome P450 2A13 (Homo sapiens (Human))	BDBM84686 (2-Subsituted 1H-imidazole, 23) Show SMILES CC(C)=CCC\C(C)=C\Cc1ncc[nH]1 |(-3.96,12.47,;-5.29,11.7,;-6.63,12.47,;-5.29,10.16,;-6.63,9.39,;-6.63,7.85,;-7.96,7.08,;-9.3,7.85,;-7.96,5.54,;-9.3,4.77,;-9.3,3.23,;-10.54,2.33,;-10.07,.87,;-8.53,.87,;-8.05,2.33,)| Show InChI InChI=1S/C13H20N2/c1-11(2)5-4-6-12(3)7-8-13-14-9-10-15-13/h5,7,9-10H,4,6,8H2,1-3H3,(H,14,15)/b12-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.07E+4	n/a	n/a	n/a	n/a	7.6	37
University of Basel					Assay Description Inhibition assay using cytochrome P450 enzyme CYP2A6 and CYP2A13.				Chembiochem 10: 1562-7 (2009) Article DOI: 10.1002/cbic.200800712 BindingDB Entry DOI: 10.7270/Q2R78CR9
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM84670 (1-Subsituted 1H-imidazole, 5) Show SMILES CCCCCCCn1ccnc1 Show InChI InChI=1S/C10H18N2/c1-2-3-4-5-6-8-12-9-7-11-10-12/h7,9-10H,2-6,8H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	7.6	37
University of Basel					Assay Description Inhibition assay using cytochrome P450 enzyme CYP2A6 and CYP2A13.				Chembiochem 10: 1562-7 (2009) Article DOI: 10.1002/cbic.200800712 BindingDB Entry DOI: 10.7270/Q2R78CR9
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM84693 (2-Subsituted pyrazine, 33) Show SMILES CC(C)CCCc1cnccn1 Show InChI InChI=1S/C10H16N2/c1-9(2)4-3-5-10-8-11-6-7-12-10/h6-9H,3-5H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.12E+4	n/a	n/a	n/a	n/a	7.6	37
University of Basel					Assay Description Inhibition assay using cytochrome P450 enzyme CYP2A6 and CYP2A13.				Chembiochem 10: 1562-7 (2009) Article DOI: 10.1002/cbic.200800712 BindingDB Entry DOI: 10.7270/Q2R78CR9
					More data for this Ligand-Target Pair
Cytochrome P450 2A13 (Homo sapiens (Human))	BDBM84673 (1-Subsituted 1H-imidazole, 10) Show SMILES CC\C=C\Cn1ccnc1 Show InChI InChI=1S/C8H12N2/c1-2-3-4-6-10-7-5-9-8-10/h3-5,7-8H,2,6H2,1H3/b4-3+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.14E+4	n/a	n/a	n/a	n/a	7.6	37
University of Basel					Assay Description Inhibition assay using cytochrome P450 enzyme CYP2A6 and CYP2A13.				Chembiochem 10: 1562-7 (2009) Article DOI: 10.1002/cbic.200800712 BindingDB Entry DOI: 10.7270/Q2R78CR9
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM84674 (1-Subsituted 1H-imidazole, 11 | 1-Subsituted 1H-im...) Show SMILES CC\C=C\CCn1ccnc1 Show InChI InChI=1S/C9H14N2/c1-2-3-4-5-7-11-8-6-10-9-11/h3-4,6,8-9H,2,5,7H2,1H3/b4-3+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.15E+4	n/a	n/a	n/a	n/a	7.6	37
University of Basel					Assay Description Inhibition assay using cytochrome P450 enzyme CYP2A6 and CYP2A13.				Chembiochem 10: 1562-7 (2009) Article DOI: 10.1002/cbic.200800712 BindingDB Entry DOI: 10.7270/Q2R78CR9
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM84676 (1-Subsituted 1H-imidazole, 13) Show SMILES C=CCCCCn1ccnc1 Show InChI InChI=1S/C9H14N2/c1-2-3-4-5-7-11-8-6-10-9-11/h2,6,8-9H,1,3-5,7H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	7.6	37
University of Basel					Assay Description Inhibition assay using cytochrome P450 enzyme CYP2A6 and CYP2A13.				Chembiochem 10: 1562-7 (2009) Article DOI: 10.1002/cbic.200800712 BindingDB Entry DOI: 10.7270/Q2R78CR9
					More data for this Ligand-Target Pair
Cytochrome P450 2A13 (Homo sapiens (Human))	BDBM84685 (1-Subsituted 1H-imidazole, 22) Show SMILES N#CCCCCn1ccnc1 Show InChI InChI=1S/C8H11N3/c9-4-2-1-3-6-11-7-5-10-8-11/h5,7-8H,1-3,6H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.91E+4	n/a	n/a	n/a	n/a	7.6	37
University of Basel					Assay Description Inhibition assay using cytochrome P450 enzyme CYP2A6 and CYP2A13.				Chembiochem 10: 1562-7 (2009) Article DOI: 10.1002/cbic.200800712 BindingDB Entry DOI: 10.7270/Q2R78CR9
					More data for this Ligand-Target Pair
Cytochrome P450 2A13 (Homo sapiens (Human))	BDBM84693 (2-Subsituted pyrazine, 33) Show SMILES CC(C)CCCc1cnccn1 Show InChI InChI=1S/C10H16N2/c1-9(2)4-3-5-10-8-11-6-7-12-10/h6-9H,3-5H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.16E+4	n/a	n/a	n/a	n/a	7.6	37
University of Basel					Assay Description Inhibition assay using cytochrome P450 enzyme CYP2A6 and CYP2A13.				Chembiochem 10: 1562-7 (2009) Article DOI: 10.1002/cbic.200800712 BindingDB Entry DOI: 10.7270/Q2R78CR9
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM84685 (1-Subsituted 1H-imidazole, 22) Show SMILES N#CCCCCn1ccnc1 Show InChI InChI=1S/C8H11N3/c9-4-2-1-3-6-11-7-5-10-8-11/h5,7-8H,1-3,6H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.24E+4	n/a	n/a	n/a	n/a	7.6	37
University of Basel					Assay Description Inhibition assay using cytochrome P450 enzyme CYP2A6 and CYP2A13.				Chembiochem 10: 1562-7 (2009) Article DOI: 10.1002/cbic.200800712 BindingDB Entry DOI: 10.7270/Q2R78CR9
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM84694 (2-Subsituted pyrazine, 34) Show SMILES C=CCCCCCc1cnccn1 Show InChI InChI=1S/C11H16N2/c1-2-3-4-5-6-7-11-10-12-8-9-13-11/h2,8-10H,1,3-7H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.38E+4	n/a	n/a	n/a	n/a	7.6	37
University of Basel					Assay Description Inhibition assay using cytochrome P450 enzyme CYP2A6 and CYP2A13.				Chembiochem 10: 1562-7 (2009) Article DOI: 10.1002/cbic.200800712 BindingDB Entry DOI: 10.7270/Q2R78CR9
					More data for this Ligand-Target Pair
Cytochrome P450 2A13 (Homo sapiens (Human))	BDBM84696 (2-Subsituted pyrazine, 36) Show SMILES CCCCCCCCc1cnccn1 Show InChI InChI=1S/C12H20N2/c1-2-3-4-5-6-7-8-12-11-13-9-10-14-12/h9-11H,2-8H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.30E+4	n/a	n/a	n/a	n/a	7.6	37
University of Basel					Assay Description Inhibition assay using cytochrome P450 enzyme CYP2A6 and CYP2A13.				Chembiochem 10: 1562-7 (2009) Article DOI: 10.1002/cbic.200800712 BindingDB Entry DOI: 10.7270/Q2R78CR9
					More data for this Ligand-Target Pair
Cytochrome P450 2A13 (Homo sapiens (Human))	BDBM84695 (2-Subsituted pyrazine, 35) Show SMILES C(Cc1cnccn1)C1CC1 Show InChI InChI=1S/C9H12N2/c1-2-8(1)3-4-9-7-10-5-6-11-9/h5-8H,1-4H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90E+4	n/a	n/a	n/a	n/a	7.6	37
University of Basel					Assay Description Inhibition assay using cytochrome P450 enzyme CYP2A6 and CYP2A13.				Chembiochem 10: 1562-7 (2009) Article DOI: 10.1002/cbic.200800712 BindingDB Entry DOI: 10.7270/Q2R78CR9
					More data for this Ligand-Target Pair
Cytochrome P450 2A13 (Homo sapiens (Human))	BDBM36010 (1-Subsituted 1H-imidazole, 2 | 1-butylimidazole) Show SMILES CCCCn1ccnc1 Show InChI InChI=1S/C7H12N2/c1-2-3-5-9-6-4-8-7-9/h4,6-7H,2-3,5H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.40E+4	n/a	n/a	n/a	n/a	7.6	37
University of Basel					Assay Description Inhibition assay using cytochrome P450 enzyme CYP2A6 and CYP2A13.				Chembiochem 10: 1562-7 (2009) Article DOI: 10.1002/cbic.200800712 BindingDB Entry DOI: 10.7270/Q2R78CR9
					More data for this Ligand-Target Pair
Cytochrome P450 2A13 (Homo sapiens (Human))	BDBM84690 (2-Subsituted oxazole, 29) Show SMILES COc1ccc(cc1)-c1ncco1 Show InChI InChI=1S/C10H9NO2/c1-12-9-4-2-8(3-5-9)10-11-6-7-13-10/h2-7H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	4.90E+4	n/a	n/a	n/a	n/a	7.6	37
University of Basel					Assay Description Inhibition assay using cytochrome P450 enzyme CYP2A6 and CYP2A13.				Chembiochem 10: 1562-7 (2009) Article DOI: 10.1002/cbic.200800712 BindingDB Entry DOI: 10.7270/Q2R78CR9
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM50149347 (1-Cyclopropylmethyl-1H-imidazole | 1-Subsituted 1H...) Show SMILES C(C1CC1)n1ccnc1 Show InChI InChI=1S/C7H10N2/c1-2-7(1)5-9-4-3-8-6-9/h3-4,6-7H,1-2,5H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.40E+4	n/a	n/a	n/a	n/a	7.6	37
University of Basel					Assay Description Inhibition assay using cytochrome P450 enzyme CYP2A6 and CYP2A13.				Chembiochem 10: 1562-7 (2009) Article DOI: 10.1002/cbic.200800712 BindingDB Entry DOI: 10.7270/Q2R78CR9
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM84678 (1-Subsituted 1H-imidazole, 15) Show SMILES CC#CCn1ccnc1 Show InChI InChI=1S/C7H8N2/c1-2-3-5-9-6-4-8-7-9/h4,6-7H,5H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.40E+4	n/a	n/a	n/a	n/a	7.6	37
University of Basel					Assay Description Inhibition assay using cytochrome P450 enzyme CYP2A6 and CYP2A13.				Chembiochem 10: 1562-7 (2009) Article DOI: 10.1002/cbic.200800712 BindingDB Entry DOI: 10.7270/Q2R78CR9
					More data for this Ligand-Target Pair
Cytochrome P450 2A13 (Homo sapiens (Human))	BDBM84684 (1-Subsituted 1H-imidazole, 21 | CHEMBL543494) Show SMILES OC(=O)CCCCn1ccnc1 Show InChI InChI=1S/C8H12N2O2/c11-8(12)3-1-2-5-10-6-4-9-7-10/h4,6-7H,1-3,5H2,(H,11,12)	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	n/a	n/a	8.20E+4	n/a	n/a	n/a	n/a	7.6	37
University of Basel					Assay Description Inhibition assay using cytochrome P450 enzyme CYP2A6 and CYP2A13.				Chembiochem 10: 1562-7 (2009) Article DOI: 10.1002/cbic.200800712 BindingDB Entry DOI: 10.7270/Q2R78CR9
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM36010 (1-Subsituted 1H-imidazole, 2 | 1-butylimidazole) Show SMILES CCCCn1ccnc1 Show InChI InChI=1S/C7H12N2/c1-2-3-5-9-6-4-8-7-9/h4,6-7H,2-3,5H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.60E+4	n/a	n/a	n/a	n/a	7.6	37
University of Basel					Assay Description Inhibition assay using cytochrome P450 enzyme CYP2A6 and CYP2A13.				Chembiochem 10: 1562-7 (2009) Article DOI: 10.1002/cbic.200800712 BindingDB Entry DOI: 10.7270/Q2R78CR9
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM84667 (1-Subsituted 1H-imidazole, 1) Show SMILES CCCn1ccnc1 Show InChI InChI=1S/C6H10N2/c1-2-4-8-5-3-7-6-8/h3,5-6H,2,4H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10E+5	n/a	n/a	n/a	n/a	7.6	37
University of Basel					Assay Description Inhibition assay using cytochrome P450 enzyme CYP2A6 and CYP2A13.				Chembiochem 10: 1562-7 (2009) Article DOI: 10.1002/cbic.200800712 BindingDB Entry DOI: 10.7270/Q2R78CR9
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM84696 (2-Subsituted pyrazine, 36) Show SMILES CCCCCCCCc1cnccn1 Show InChI InChI=1S/C12H20N2/c1-2-3-4-5-6-7-8-12-11-13-9-10-14-12/h9-11H,2-8H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.15E+5	n/a	n/a	n/a	n/a	7.6	37
University of Basel					Assay Description Inhibition assay using cytochrome P450 enzyme CYP2A6 and CYP2A13.				Chembiochem 10: 1562-7 (2009) Article DOI: 10.1002/cbic.200800712 BindingDB Entry DOI: 10.7270/Q2R78CR9
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM84683 (1-Subsituted 1H-imidazole, 20) Show SMILES OCCCCCn1ccnc1 Show InChI InChI=1S/C8H14N2O/c11-7-3-1-2-5-10-6-4-9-8-10/h4,6,8,11H,1-3,5,7H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.22E+5	n/a	n/a	n/a	n/a	7.6	37
University of Basel					Assay Description Inhibition assay using cytochrome P450 enzyme CYP2A6 and CYP2A13.				Chembiochem 10: 1562-7 (2009) Article DOI: 10.1002/cbic.200800712 BindingDB Entry DOI: 10.7270/Q2R78CR9
					More data for this Ligand-Target Pair
Cytochrome P450 2A13 (Homo sapiens (Human))	BDBM84681 (1-Subsituted 1H-imidazole, 18) Show SMILES CCOC(=O)CCCn1ccnc1 Show InChI InChI=1S/C9H14N2O2/c1-2-13-9(12)4-3-6-11-7-5-10-8-11/h5,7-8H,2-4,6H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.23E+5	n/a	n/a	n/a	n/a	7.6	37
University of Basel					Assay Description Inhibition assay using cytochrome P450 enzyme CYP2A6 and CYP2A13.				Chembiochem 10: 1562-7 (2009) Article DOI: 10.1002/cbic.200800712 BindingDB Entry DOI: 10.7270/Q2R78CR9
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM84679 (1-Subsituted 1H-imidazole, 16) Show SMILES c1cn(cn1)-c1ccncc1 Show InChI InChI=1S/C8H7N3/c1-3-9-4-2-8(1)11-6-5-10-7-11/h1-7H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.36E+5	n/a	n/a	n/a	n/a	7.6	37
University of Basel					Assay Description Inhibition assay using cytochrome P450 enzyme CYP2A6 and CYP2A13.				Chembiochem 10: 1562-7 (2009) Article DOI: 10.1002/cbic.200800712 BindingDB Entry DOI: 10.7270/Q2R78CR9
					More data for this Ligand-Target Pair
Cytochrome P450 2A13 (Homo sapiens (Human))	BDBM84689 (2-Subsituted 1H-imidazole, 28) Show SMILES CC\C=C\Cc1ncc[nH]1 Show InChI InChI=1S/C8H12N2/c1-2-3-4-5-8-9-6-7-10-8/h3-4,6-7H,2,5H2,1H3,(H,9,10)/b4-3+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.43E+5	n/a	n/a	n/a	n/a	7.6	37
University of Basel					Assay Description Inhibition assay using cytochrome P450 enzyme CYP2A6 and CYP2A13.				Chembiochem 10: 1562-7 (2009) Article DOI: 10.1002/cbic.200800712 BindingDB Entry DOI: 10.7270/Q2R78CR9
					More data for this Ligand-Target Pair

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