Compile Data Set for Download or QSAR

Found 250 hits with Last Name = 'farre-gutierrez' and Initial = 'i'   

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 2D6 (Homo sapiens (Human))	BDBM50311748 (CHEMBL1081504 | N-(2,6-dimethylbenzyl)-6,7-dimethy...) Show SMILES Cc1[nH]c2c(NCc3c(C)cccc3C)ncnc2c1C Show InChI InChI=1S/C17H20N4/c1-10-6-5-7-11(2)14(10)8-18-17-16-15(19-9-20-17)12(3)13(4)21-16/h5-7,9,21H,8H2,1-4H3,(H,18,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of CYP2D6				Bioorg Med Chem Lett 19: 6813-7 (2009) Article DOI: 10.1016/j.bmcl.2009.07.002 BindingDB Entry DOI: 10.7270/Q2MC9046
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50311760 (CHEMBL1080473 | N-(2,6-dimethylbenzyl)-2,3-dimethy...) Show SMILES Cc1[nH]c2c(NCc3c(C)cccc3C)nc(cc2c1C)-c1ccccc1 Show InChI InChI=1S/C24H25N3/c1-15-9-8-10-16(2)21(15)14-25-24-23-20(17(3)18(4)26-23)13-22(27-24)19-11-6-5-7-12-19/h5-13,26H,14H2,1-4H3,(H,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of CYP2C19				Bioorg Med Chem Lett 19: 6813-7 (2009) Article DOI: 10.1016/j.bmcl.2009.07.002 BindingDB Entry DOI: 10.7270/Q2MC9046
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50268742 (CHEMBL523752 | N-(2-ethyl-6-methylbenzyl)-2,3-dime...) Show SMILES CCc1cccc(C)c1CNc1cccn2c(C)c(C)nc12 Show InChI InChI=1S/C19H23N3/c1-5-16-9-6-8-13(2)17(16)12-20-18-10-7-11-22-15(4)14(3)21-19(18)22/h6-11,20H,5,12H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin)				Bioorg Med Chem Lett 19: 3602-6 (2009) Article DOI: 10.1016/j.bmcl.2009.04.127 BindingDB Entry DOI: 10.7270/Q2RX9BZV
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50311761 (1-(1-allyl-7-(2,6-dimethylbenzylamino)-2,3-dimethy...) Show SMILES Cc1c(C)c2cc(nc(NCc3c(C)cccc3C)c2n1CC=C)-n1ccccc1=O Show InChI InChI=1S/C26H28N4O/c1-6-13-29-20(5)19(4)21-15-23(30-14-8-7-12-24(30)31)28-26(25(21)29)27-16-22-17(2)10-9-11-18(22)3/h6-12,14-15H,1,13,16H2,2-5H3,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of CYP2C9				Bioorg Med Chem Lett 19: 6813-7 (2009) Article DOI: 10.1016/j.bmcl.2009.07.002 BindingDB Entry DOI: 10.7270/Q2MC9046
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50311760 (CHEMBL1080473 | N-(2,6-dimethylbenzyl)-2,3-dimethy...) Show SMILES Cc1[nH]c2c(NCc3c(C)cccc3C)nc(cc2c1C)-c1ccccc1 Show InChI InChI=1S/C24H25N3/c1-15-9-8-10-16(2)21(15)14-25-24-23-20(17(3)18(4)26-23)13-22(27-24)19-11-6-5-7-12-19/h5-13,26H,14H2,1-4H3,(H,25,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of CYP2D6				Bioorg Med Chem Lett 19: 6813-7 (2009) Article DOI: 10.1016/j.bmcl.2009.07.002 BindingDB Entry DOI: 10.7270/Q2MC9046
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50268782 (CHEMBL447822 | N-(2,6-dimethylbenzyl)-2,3-dimethyl...) Show SMILES Cc1nc2c(NCc3c(C)cccc3C)cc(cn2c1C)-c1ccccn1 Show InChI InChI=1S/C23H24N4/c1-15-8-7-9-16(2)20(15)13-25-22-12-19(21-10-5-6-11-24-21)14-27-18(4)17(3)26-23(22)27/h5-12,14,25H,13H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				Bioorg Med Chem Lett 19: 3602-6 (2009) Article DOI: 10.1016/j.bmcl.2009.04.127 BindingDB Entry DOI: 10.7270/Q2RX9BZV
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50269080 ((S)-2,3-dimethyl-9-phenyl-6-(1H-1,2,4-triazol-1-yl...) Show SMILES Cc1nc2c3N[C@@H](CCc3c(cn2c1C)-n1cncn1)c1ccccc1 |r| Show InChI InChI=1S/C20H20N6/c1-13-14(2)25-10-18(26-12-21-11-22-26)16-8-9-17(15-6-4-3-5-7-15)24-19(16)20(25)23-13/h3-7,10-12,17,24H,8-9H2,1-2H3/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin) using diethoxyfluorescein as substrate				Bioorg Med Chem Lett 19: 3602-6 (2009) Article DOI: 10.1016/j.bmcl.2009.04.127 BindingDB Entry DOI: 10.7270/Q2RX9BZV
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50311754 (8-(2,6-dimethylbenzyloxy)-2,3-dimethylimidazo[1,2-...) Show SMILES Cc1nc2c(OCc3c(C)cccc3C)cccn2c1C Show InChI InChI=1S/C18H20N2O/c1-12-7-5-8-13(2)16(12)11-21-17-9-6-10-20-15(4)14(3)19-18(17)20/h5-10H,11H2,1-4H3	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	700	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of CYP1A2				Bioorg Med Chem Lett 19: 6813-7 (2009) Article DOI: 10.1016/j.bmcl.2009.07.002 BindingDB Entry DOI: 10.7270/Q2MC9046
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50311756 (1-(7-(2,6-dimethylbenzylamino)-2,3-dimethyl-1H-pyr...) Show SMILES Cc1[nH]c2c(NCc3c(C)cccc3C)nc(cc2c1C)N1CCNC1=O Show InChI InChI=1S/C21H25N5O/c1-12-6-5-7-13(2)17(12)11-23-20-19-16(14(3)15(4)24-19)10-18(25-20)26-9-8-22-21(26)27/h5-7,10,24H,8-9,11H2,1-4H3,(H,22,27)(H,23,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of CYP2D6				Bioorg Med Chem Lett 19: 6813-7 (2009) Article DOI: 10.1016/j.bmcl.2009.07.002 BindingDB Entry DOI: 10.7270/Q2MC9046
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50311763 (1-(7-(2,6-dimethylbenzylamino)-1-ethyl-2,3-dimethy...) Show SMILES CCn1c(C)c(C)c2cc(nc(NCc3c(C)cccc3C)c12)-n1ccccc1=O Show InChI InChI=1S/C25H28N4O/c1-6-28-19(5)18(4)20-14-22(29-13-8-7-12-23(29)30)27-25(24(20)28)26-15-21-16(2)10-9-11-17(21)3/h7-14H,6,15H2,1-5H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of CYP2C9				Bioorg Med Chem Lett 19: 6813-7 (2009) Article DOI: 10.1016/j.bmcl.2009.07.002 BindingDB Entry DOI: 10.7270/Q2MC9046
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50311746 (7-(4-fluorobenzyloxy)-2,3-dimethyl-1-(((1S,2S)-2-m...) Show SMILES C[C@H]1C[C@@H]1Cn1c(C)c(C)c2cnnc(OCc3ccc(F)cc3)c12 |r| Show InChI InChI=1S/C20H22FN3O/c1-12-8-16(12)10-24-14(3)13(2)18-9-22-23-20(19(18)24)25-11-15-4-6-17(21)7-5-15/h4-7,9,12,16H,8,10-11H2,1-3H3/t12-,16+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of CYP2C9				Bioorg Med Chem Lett 19: 6813-7 (2009) Article DOI: 10.1016/j.bmcl.2009.07.002 BindingDB Entry DOI: 10.7270/Q2MC9046
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50268780 (CHEMBL453246 | N-(2,6-dimethylbenzyl)-2,3-dimethyl...) Show SMILES Cc1nc2c(NCc3c(C)cccc3C)cc(cn2c1C)-n1cccn1 Show InChI InChI=1S/C21H23N5/c1-14-7-5-8-15(2)19(14)12-22-20-11-18(26-10-6-9-23-26)13-25-17(4)16(3)24-21(20)25/h5-11,13,22H,12H2,1-4H3	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	860	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				Bioorg Med Chem Lett 19: 3602-6 (2009) Article DOI: 10.1016/j.bmcl.2009.04.127 BindingDB Entry DOI: 10.7270/Q2RX9BZV
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50311759 (1-(7-(2,6-dimethylbenzylamino)-2,3-dimethyl-1H-pyr...) Show SMILES Cc1[nH]c2c(NCc3c(C)cccc3C)nc(cc2c1C)N1CCCC1=O Show InChI InChI=1S/C22H26N4O/c1-13-7-5-8-14(2)18(13)12-23-22-21-17(15(3)16(4)24-21)11-19(25-22)26-10-6-9-20(26)27/h5,7-8,11,24H,6,9-10,12H2,1-4H3,(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of CYP3A4 using diethoxyfluorescein substrate				Bioorg Med Chem Lett 19: 6813-7 (2009) Article DOI: 10.1016/j.bmcl.2009.07.002 BindingDB Entry DOI: 10.7270/Q2MC9046
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50268742 (CHEMBL523752 | N-(2-ethyl-6-methylbenzyl)-2,3-dime...) Show SMILES CCc1cccc(C)c1CNc1cccn2c(C)c(C)nc12 Show InChI InChI=1S/C19H23N3/c1-5-16-9-6-8-13(2)17(16)12-20-18-10-7-11-22-15(4)14(3)21-19(18)22/h6-11,20H,5,12H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				Bioorg Med Chem Lett 19: 3602-6 (2009) Article DOI: 10.1016/j.bmcl.2009.04.127 BindingDB Entry DOI: 10.7270/Q2RX9BZV
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50268983 (CHEMBL526841 | N-(2-chloro-4-fluorobenzyl)-2,3-dim...) Show SMILES Cc1nc2c(NCc3ccc(F)cc3Cl)cc(cn2c1C)-n1cncn1 Show InChI InChI=1S/C18H16ClFN6/c1-11-12(2)25-8-15(26-10-21-9-23-26)6-17(18(25)24-11)22-7-13-3-4-14(20)5-16(13)19/h3-6,8-10,22H,7H2,1-2H3	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	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				Bioorg Med Chem Lett 19: 3602-6 (2009) Article DOI: 10.1016/j.bmcl.2009.04.127 BindingDB Entry DOI: 10.7270/Q2RX9BZV
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50311746 (7-(4-fluorobenzyloxy)-2,3-dimethyl-1-(((1S,2S)-2-m...) Show SMILES C[C@H]1C[C@@H]1Cn1c(C)c(C)c2cnnc(OCc3ccc(F)cc3)c12 |r| Show InChI InChI=1S/C20H22FN3O/c1-12-8-16(12)10-24-14(3)13(2)18-9-22-23-20(19(18)24)25-11-15-4-6-17(21)7-5-15/h4-7,9,12,16H,8,10-11H2,1-3H3/t12-,16+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of CYP1A2				Bioorg Med Chem Lett 19: 6813-7 (2009) Article DOI: 10.1016/j.bmcl.2009.07.002 BindingDB Entry DOI: 10.7270/Q2MC9046
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50268782 (CHEMBL447822 | N-(2,6-dimethylbenzyl)-2,3-dimethyl...) Show SMILES Cc1nc2c(NCc3c(C)cccc3C)cc(cn2c1C)-c1ccccn1 Show InChI InChI=1S/C23H24N4/c1-15-8-7-9-16(2)20(15)13-25-22-12-19(21-10-5-6-11-24-21)14-27-18(4)17(3)26-23(22)27/h5-12,14,25H,13H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin) using diethoxyfluorescein as substrate				Bioorg Med Chem Lett 19: 3602-6 (2009) Article DOI: 10.1016/j.bmcl.2009.04.127 BindingDB Entry DOI: 10.7270/Q2RX9BZV
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50268887 (CHEMBL496426 | N-(2,6-dimethylbenzyl)-6-(furan-2-y...) Show SMILES Cc1nc2c(NCc3c(C)cccc3C)cc(cn2c1C)-c1ccco1 Show InChI InChI=1S/C22H23N3O/c1-14-7-5-8-15(2)19(14)12-23-20-11-18(21-9-6-10-26-21)13-25-17(4)16(3)24-22(20)25/h5-11,13,23H,12H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of CYP1A2 (unknown origin)				Bioorg Med Chem Lett 19: 3602-6 (2009) Article DOI: 10.1016/j.bmcl.2009.04.127 BindingDB Entry DOI: 10.7270/Q2RX9BZV
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50311757 (6-(7-(2,6-dimethylbenzylamino)-2,3-dimethyl-1H-pyr...) Show SMILES Cc1[nH]c2c(NCc3c(C)cccc3C)nc(cc2c1C)-c1cccc(=O)[nH]1 Show InChI InChI=1S/C23H24N4O/c1-13-7-5-8-14(2)18(13)12-24-23-22-17(15(3)16(4)25-22)11-20(27-23)19-9-6-10-21(28)26-19/h5-11,25H,12H2,1-4H3,(H,24,27)(H,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of CYP3A4 using diethoxyfluorescein substrate				Bioorg Med Chem Lett 19: 6813-7 (2009) Article DOI: 10.1016/j.bmcl.2009.07.002 BindingDB Entry DOI: 10.7270/Q2MC9046
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50311759 (1-(7-(2,6-dimethylbenzylamino)-2,3-dimethyl-1H-pyr...) Show SMILES Cc1[nH]c2c(NCc3c(C)cccc3C)nc(cc2c1C)N1CCCC1=O Show InChI InChI=1S/C22H26N4O/c1-13-7-5-8-14(2)18(13)12-23-22-21-17(15(3)16(4)24-21)11-19(25-22)26-10-6-9-20(26)27/h5,7-8,11,24H,6,9-10,12H2,1-4H3,(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of CYP2C9				Bioorg Med Chem Lett 19: 6813-7 (2009) Article DOI: 10.1016/j.bmcl.2009.07.002 BindingDB Entry DOI: 10.7270/Q2MC9046
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50268887 (CHEMBL496426 | N-(2,6-dimethylbenzyl)-6-(furan-2-y...) Show SMILES Cc1nc2c(NCc3c(C)cccc3C)cc(cn2c1C)-c1ccco1 Show InChI InChI=1S/C22H23N3O/c1-14-7-5-8-15(2)19(14)12-23-20-11-18(21-9-6-10-26-21)13-25-17(4)16(3)24-22(20)25/h5-11,13,23H,12H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin) using 7-benzyloxyquinoline as substrate				Bioorg Med Chem Lett 19: 3602-6 (2009) Article DOI: 10.1016/j.bmcl.2009.04.127 BindingDB Entry DOI: 10.7270/Q2RX9BZV
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50268742 (CHEMBL523752 | N-(2-ethyl-6-methylbenzyl)-2,3-dime...) Show SMILES CCc1cccc(C)c1CNc1cccn2c(C)c(C)nc12 Show InChI InChI=1S/C19H23N3/c1-5-16-9-6-8-13(2)17(16)12-20-18-10-7-11-22-15(4)14(3)21-19(18)22/h6-11,20H,5,12H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				Bioorg Med Chem Lett 19: 3602-6 (2009) Article DOI: 10.1016/j.bmcl.2009.04.127 BindingDB Entry DOI: 10.7270/Q2RX9BZV
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50268742 (CHEMBL523752 | N-(2-ethyl-6-methylbenzyl)-2,3-dime...) Show SMILES CCc1cccc(C)c1CNc1cccn2c(C)c(C)nc12 Show InChI InChI=1S/C19H23N3/c1-5-16-9-6-8-13(2)17(16)12-20-18-10-7-11-22-15(4)14(3)21-19(18)22/h6-11,20H,5,12H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of CYP1A2 (unknown origin)				Bioorg Med Chem Lett 19: 3602-6 (2009) Article DOI: 10.1016/j.bmcl.2009.04.127 BindingDB Entry DOI: 10.7270/Q2RX9BZV
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50311747 (CHEMBL1080717 | N-(2,6-dimethylbenzyl)-6,7-dimethy...) Show SMILES Cc1cc2c(NCc3c(C)cccc3C)nccn2c1C Show InChI InChI=1S/C18H21N3/c1-12-6-5-7-13(2)16(12)11-20-18-17-10-14(3)15(4)21(17)9-8-19-18/h5-10H,11H2,1-4H3,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of CYP3A4 using 7-benzyloxyquinoline substrate				Bioorg Med Chem Lett 19: 6813-7 (2009) Article DOI: 10.1016/j.bmcl.2009.07.002 BindingDB Entry DOI: 10.7270/Q2MC9046
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50311756 (1-(7-(2,6-dimethylbenzylamino)-2,3-dimethyl-1H-pyr...) Show SMILES Cc1[nH]c2c(NCc3c(C)cccc3C)nc(cc2c1C)N1CCNC1=O Show InChI InChI=1S/C21H25N5O/c1-12-6-5-7-13(2)17(12)11-23-20-19-16(14(3)15(4)24-19)10-18(25-20)26-9-8-22-21(26)27/h5-7,10,24H,8-9,11H2,1-4H3,(H,22,27)(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of CYP3A4 using 7-benzyloxyquinoline substrate				Bioorg Med Chem Lett 19: 6813-7 (2009) Article DOI: 10.1016/j.bmcl.2009.07.002 BindingDB Entry DOI: 10.7270/Q2MC9046
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50311756 (1-(7-(2,6-dimethylbenzylamino)-2,3-dimethyl-1H-pyr...) Show SMILES Cc1[nH]c2c(NCc3c(C)cccc3C)nc(cc2c1C)N1CCNC1=O Show InChI InChI=1S/C21H25N5O/c1-12-6-5-7-13(2)17(12)11-23-20-19-16(14(3)15(4)24-19)10-18(25-20)26-9-8-22-21(26)27/h5-7,10,24H,8-9,11H2,1-4H3,(H,22,27)(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of CYP3A4 using diethoxyfluorescein substrate				Bioorg Med Chem Lett 19: 6813-7 (2009) Article DOI: 10.1016/j.bmcl.2009.07.002 BindingDB Entry DOI: 10.7270/Q2MC9046
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50268743 (5-(8-(2,6-dimethylbenzylamino)-2,3-dimethylimidazo...) Show SMILES Cc1nc2c(NCc3c(C)cccc3C)cc(cn2c1C)-c1c[nH]c(=O)[nH]c1=O Show InChI InChI=1S/C22H23N5O2/c1-12-6-5-7-13(2)17(12)9-23-19-8-16(18-10-24-22(29)26-21(18)28)11-27-15(4)14(3)25-20(19)27/h5-8,10-11,23H,9H2,1-4H3,(H2,24,26,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin) using diethoxyfluorescein as substrate				Bioorg Med Chem Lett 19: 3602-6 (2009) Article DOI: 10.1016/j.bmcl.2009.04.127 BindingDB Entry DOI: 10.7270/Q2RX9BZV
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50268782 (CHEMBL447822 | N-(2,6-dimethylbenzyl)-2,3-dimethyl...) Show SMILES Cc1nc2c(NCc3c(C)cccc3C)cc(cn2c1C)-c1ccccn1 Show InChI InChI=1S/C23H24N4/c1-15-8-7-9-16(2)20(15)13-25-22-12-19(21-10-5-6-11-24-21)14-27-18(4)17(3)26-23(22)27/h5-12,14,25H,13H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				Bioorg Med Chem Lett 19: 3602-6 (2009) Article DOI: 10.1016/j.bmcl.2009.04.127 BindingDB Entry DOI: 10.7270/Q2RX9BZV
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50268887 (CHEMBL496426 | N-(2,6-dimethylbenzyl)-6-(furan-2-y...) Show SMILES Cc1nc2c(NCc3c(C)cccc3C)cc(cn2c1C)-c1ccco1 Show InChI InChI=1S/C22H23N3O/c1-14-7-5-8-15(2)19(14)12-23-20-11-18(21-9-6-10-26-21)13-25-17(4)16(3)24-22(20)25/h5-11,13,23H,12H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin) using diethoxyfluorescein as substrate				Bioorg Med Chem Lett 19: 3602-6 (2009) Article DOI: 10.1016/j.bmcl.2009.04.127 BindingDB Entry DOI: 10.7270/Q2RX9BZV
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50268782 (CHEMBL447822 | N-(2,6-dimethylbenzyl)-2,3-dimethyl...) Show SMILES Cc1nc2c(NCc3c(C)cccc3C)cc(cn2c1C)-c1ccccn1 Show InChI InChI=1S/C23H24N4/c1-15-8-7-9-16(2)20(15)13-25-22-12-19(21-10-5-6-11-24-21)14-27-18(4)17(3)26-23(22)27/h5-12,14,25H,13H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin) using 7-benzyloxyquinoline as substrate				Bioorg Med Chem Lett 19: 3602-6 (2009) Article DOI: 10.1016/j.bmcl.2009.04.127 BindingDB Entry DOI: 10.7270/Q2RX9BZV
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50311750 (CHEMBL1076210 | N-(2,6-dimethylbenzyl)-2,3-dimethy...) Show SMILES Cc1[nH]c2c(NCc3c(C)cccc3C)nccc2c1C Show InChI InChI=1S/C18H21N3/c1-11-6-5-7-12(2)16(11)10-20-18-17-15(8-9-19-18)13(3)14(4)21-17/h5-9,21H,10H2,1-4H3,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of CYP2C19				Bioorg Med Chem Lett 19: 6813-7 (2009) Article DOI: 10.1016/j.bmcl.2009.07.002 BindingDB Entry DOI: 10.7270/Q2MC9046
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50311759 (1-(7-(2,6-dimethylbenzylamino)-2,3-dimethyl-1H-pyr...) Show SMILES Cc1[nH]c2c(NCc3c(C)cccc3C)nc(cc2c1C)N1CCCC1=O Show InChI InChI=1S/C22H26N4O/c1-13-7-5-8-14(2)18(13)12-23-22-21-17(15(3)16(4)24-21)11-19(25-22)26-10-6-9-20(26)27/h5,7-8,11,24H,6,9-10,12H2,1-4H3,(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of CYP3A4 using 7-benzyloxyquinoline substrate				Bioorg Med Chem Lett 19: 6813-7 (2009) Article DOI: 10.1016/j.bmcl.2009.07.002 BindingDB Entry DOI: 10.7270/Q2MC9046
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50311759 (1-(7-(2,6-dimethylbenzylamino)-2,3-dimethyl-1H-pyr...) Show SMILES Cc1[nH]c2c(NCc3c(C)cccc3C)nc(cc2c1C)N1CCCC1=O Show InChI InChI=1S/C22H26N4O/c1-13-7-5-8-14(2)18(13)12-23-22-21-17(15(3)16(4)24-21)11-19(25-22)26-10-6-9-20(26)27/h5,7-8,11,24H,6,9-10,12H2,1-4H3,(H,23,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of CYP2D6				Bioorg Med Chem Lett 19: 6813-7 (2009) Article DOI: 10.1016/j.bmcl.2009.07.002 BindingDB Entry DOI: 10.7270/Q2MC9046
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50008977 ((8-Benzyloxy-2-methyl-imidazo[1,2-a]pyridin-3-yl)-...) Show SMILES Cc1nc2c(OCc3ccccc3)cccn2c1CC#N Show InChI InChI=1S/C17H15N3O/c1-13-15(9-10-18)20-11-5-8-16(17(20)19-13)21-12-14-6-3-2-4-7-14/h2-8,11H,9,12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of CYP1A2				Bioorg Med Chem Lett 19: 6813-7 (2009) Article DOI: 10.1016/j.bmcl.2009.07.002 BindingDB Entry DOI: 10.7270/Q2MC9046
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50268936 (3-(8-(2,6-dimethylbenzylamino)-2,3-dimethylimidazo...) Show SMILES Cc1nc2c(NCc3c(C)cccc3C)cc(cn2c1C)-n1cnccc1=O Show InChI InChI=1S/C22H23N5O/c1-14-6-5-7-15(2)19(14)11-24-20-10-18(27-13-23-9-8-21(27)28)12-26-17(4)16(3)25-22(20)26/h5-10,12-13,24H,11H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin) using diethoxyfluorescein as substrate				Bioorg Med Chem Lett 19: 3602-6 (2009) Article DOI: 10.1016/j.bmcl.2009.04.127 BindingDB Entry DOI: 10.7270/Q2RX9BZV
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50268780 (CHEMBL453246 | N-(2,6-dimethylbenzyl)-2,3-dimethyl...) Show SMILES Cc1nc2c(NCc3c(C)cccc3C)cc(cn2c1C)-n1cccn1 Show InChI InChI=1S/C21H23N5/c1-14-7-5-8-15(2)19(14)12-22-20-11-18(26-10-6-9-23-26)13-25-17(4)16(3)24-21(20)25/h5-11,13,22H,12H2,1-4H3	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	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin) using 7-benzyloxyquinoline as substrate				Bioorg Med Chem Lett 19: 3602-6 (2009) Article DOI: 10.1016/j.bmcl.2009.04.127 BindingDB Entry DOI: 10.7270/Q2RX9BZV
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50311753 (CHEMBL1081505 | N-(2,6-dimethylbenzyl)-1,2-dimethy...) Show SMILES Cc1nc2c(NCc3c(C)cccc3C)cccc2n1C Show InChI InChI=1S/C18H21N3/c1-12-7-5-8-13(2)15(12)11-19-16-9-6-10-17-18(16)20-14(3)21(17)4/h5-10,19H,11H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of CYP1A2				Bioorg Med Chem Lett 19: 6813-7 (2009) Article DOI: 10.1016/j.bmcl.2009.07.002 BindingDB Entry DOI: 10.7270/Q2MC9046
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50268887 (CHEMBL496426 | N-(2,6-dimethylbenzyl)-6-(furan-2-y...) Show SMILES Cc1nc2c(NCc3c(C)cccc3C)cc(cn2c1C)-c1ccco1 Show InChI InChI=1S/C22H23N3O/c1-14-7-5-8-15(2)19(14)12-23-20-11-18(21-9-6-10-26-21)13-25-17(4)16(3)24-22(20)25/h5-11,13,23H,12H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				Bioorg Med Chem Lett 19: 3602-6 (2009) Article DOI: 10.1016/j.bmcl.2009.04.127 BindingDB Entry DOI: 10.7270/Q2RX9BZV
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50311757 (6-(7-(2,6-dimethylbenzylamino)-2,3-dimethyl-1H-pyr...) Show SMILES Cc1[nH]c2c(NCc3c(C)cccc3C)nc(cc2c1C)-c1cccc(=O)[nH]1 Show InChI InChI=1S/C23H24N4O/c1-13-7-5-8-14(2)18(13)12-24-23-22-17(15(3)16(4)25-22)11-20(27-23)19-9-6-10-21(28)26-19/h5-11,25H,12H2,1-4H3,(H,24,27)(H,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of CYP3A4 using 7-benzyloxyquinoline substrate				Bioorg Med Chem Lett 19: 6813-7 (2009) Article DOI: 10.1016/j.bmcl.2009.07.002 BindingDB Entry DOI: 10.7270/Q2MC9046
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50311754 (8-(2,6-dimethylbenzyloxy)-2,3-dimethylimidazo[1,2-...) Show SMILES Cc1nc2c(OCc3c(C)cccc3C)cccn2c1C Show InChI InChI=1S/C18H20N2O/c1-12-7-5-8-13(2)16(12)11-21-17-9-6-10-20-15(4)14(3)19-18(17)20/h5-10H,11H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of CYP2D6				Bioorg Med Chem Lett 19: 6813-7 (2009) Article DOI: 10.1016/j.bmcl.2009.07.002 BindingDB Entry DOI: 10.7270/Q2MC9046
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50311757 (6-(7-(2,6-dimethylbenzylamino)-2,3-dimethyl-1H-pyr...) Show SMILES Cc1[nH]c2c(NCc3c(C)cccc3C)nc(cc2c1C)-c1cccc(=O)[nH]1 Show InChI InChI=1S/C23H24N4O/c1-13-7-5-8-14(2)18(13)12-24-23-22-17(15(3)16(4)25-22)11-20(27-23)19-9-6-10-21(28)26-19/h5-11,25H,12H2,1-4H3,(H,24,27)(H,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of CYP2C9				Bioorg Med Chem Lett 19: 6813-7 (2009) Article DOI: 10.1016/j.bmcl.2009.07.002 BindingDB Entry DOI: 10.7270/Q2MC9046
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50311761 (1-(1-allyl-7-(2,6-dimethylbenzylamino)-2,3-dimethy...) Show SMILES Cc1c(C)c2cc(nc(NCc3c(C)cccc3C)c2n1CC=C)-n1ccccc1=O Show InChI InChI=1S/C26H28N4O/c1-6-13-29-20(5)19(4)21-15-23(30-14-8-7-12-24(30)31)28-26(25(21)29)27-16-22-17(2)10-9-11-18(22)3/h6-12,14-15H,1,13,16H2,2-5H3,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of CYP3A4 using diethoxyfluorescein substrate				Bioorg Med Chem Lett 19: 6813-7 (2009) Article DOI: 10.1016/j.bmcl.2009.07.002 BindingDB Entry DOI: 10.7270/Q2MC9046
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50269038 ((S)-1-(8-(2,3-dihydro-1H-inden-1-ylamino)-2,3-dime...) Show SMILES Cc1nc2c(N[C@H]3CCc4ccccc34)cc(cn2c1C)-n1ccccc1=O |r| Show InChI InChI=1S/C23H22N4O/c1-15-16(2)27-14-18(26-12-6-5-9-22(26)28)13-21(23(27)24-15)25-20-11-10-17-7-3-4-8-19(17)20/h3-9,12-14,20,25H,10-11H2,1-2H3/t20-/m0/s1	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	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				Bioorg Med Chem Lett 19: 3602-6 (2009) Article DOI: 10.1016/j.bmcl.2009.04.127 BindingDB Entry DOI: 10.7270/Q2RX9BZV
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50268783 (CHEMBL496606 | N-(2,6-dimethylbenzyl)-2,3-dimethyl...) Show SMILES Cc1nc2c(NCc3c(C)cccc3C)cc(cn2c1C)-n1cncn1 Show InChI InChI=1S/C20H22N6/c1-13-6-5-7-14(2)18(13)9-22-19-8-17(26-12-21-11-23-26)10-25-16(4)15(3)24-20(19)25/h5-8,10-12,22H,9H2,1-4H3	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	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				Bioorg Med Chem Lett 19: 3602-6 (2009) Article DOI: 10.1016/j.bmcl.2009.04.127 BindingDB Entry DOI: 10.7270/Q2RX9BZV
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50269080 ((S)-2,3-dimethyl-9-phenyl-6-(1H-1,2,4-triazol-1-yl...) Show SMILES Cc1nc2c3N[C@@H](CCc3c(cn2c1C)-n1cncn1)c1ccccc1 |r| Show InChI InChI=1S/C20H20N6/c1-13-14(2)25-10-18(26-12-21-11-22-26)16-8-9-17(15-6-4-3-5-7-15)24-19(16)20(25)23-13/h3-7,10-12,17,24H,8-9H2,1-2H3/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin) using 7-benzyloxyquinoline as substrate				Bioorg Med Chem Lett 19: 3602-6 (2009) Article DOI: 10.1016/j.bmcl.2009.04.127 BindingDB Entry DOI: 10.7270/Q2RX9BZV
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50268743 (5-(8-(2,6-dimethylbenzylamino)-2,3-dimethylimidazo...) Show SMILES Cc1nc2c(NCc3c(C)cccc3C)cc(cn2c1C)-c1c[nH]c(=O)[nH]c1=O Show InChI InChI=1S/C22H23N5O2/c1-12-6-5-7-13(2)17(12)9-23-19-8-16(18-10-24-22(29)26-21(18)28)11-27-15(4)14(3)25-20(19)27/h5-8,10-11,23H,9H2,1-4H3,(H2,24,26,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin) using 7-benzyloxyquinoline as substrate				Bioorg Med Chem Lett 19: 3602-6 (2009) Article DOI: 10.1016/j.bmcl.2009.04.127 BindingDB Entry DOI: 10.7270/Q2RX9BZV
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50311756 (1-(7-(2,6-dimethylbenzylamino)-2,3-dimethyl-1H-pyr...) Show SMILES Cc1[nH]c2c(NCc3c(C)cccc3C)nc(cc2c1C)N1CCNC1=O Show InChI InChI=1S/C21H25N5O/c1-12-6-5-7-13(2)17(12)11-23-20-19-16(14(3)15(4)24-19)10-18(25-20)26-9-8-22-21(26)27/h5-7,10,24H,8-9,11H2,1-4H3,(H,22,27)(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of CYP2C9				Bioorg Med Chem Lett 19: 6813-7 (2009) Article DOI: 10.1016/j.bmcl.2009.07.002 BindingDB Entry DOI: 10.7270/Q2MC9046
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50268780 (CHEMBL453246 | N-(2,6-dimethylbenzyl)-2,3-dimethyl...) Show SMILES Cc1nc2c(NCc3c(C)cccc3C)cc(cn2c1C)-n1cccn1 Show InChI InChI=1S/C21H23N5/c1-14-7-5-8-15(2)19(14)12-22-20-11-18(26-10-6-9-23-26)13-25-17(4)16(3)24-21(20)25/h5-11,13,22H,12H2,1-4H3	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	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin) using diethoxyfluorescein as substrate				Bioorg Med Chem Lett 19: 3602-6 (2009) Article DOI: 10.1016/j.bmcl.2009.04.127 BindingDB Entry DOI: 10.7270/Q2RX9BZV
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50268981 (2,3-dimethyl-N-(2-methylbenzyl)-6-(1H-1,2,4-triazo...) Show SMILES Cc1nc2c(NCc3ccccc3C)cc(cn2c1C)-n1cncn1 Show InChI InChI=1S/C19H20N6/c1-13-6-4-5-7-16(13)9-21-18-8-17(25-12-20-11-22-25)10-24-15(3)14(2)23-19(18)24/h4-8,10-12,21H,9H2,1-3H3	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	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				Bioorg Med Chem Lett 19: 3602-6 (2009) Article DOI: 10.1016/j.bmcl.2009.04.127 BindingDB Entry DOI: 10.7270/Q2RX9BZV
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50268983 (CHEMBL526841 | N-(2-chloro-4-fluorobenzyl)-2,3-dim...) Show SMILES Cc1nc2c(NCc3ccc(F)cc3Cl)cc(cn2c1C)-n1cncn1 Show InChI InChI=1S/C18H16ClFN6/c1-11-12(2)25-8-15(26-10-21-9-23-26)6-17(18(25)24-11)22-7-13-3-4-14(20)5-16(13)19/h3-6,8-10,22H,7H2,1-2H3	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	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin) using 7-benzyloxyquinoline as substrate				Bioorg Med Chem Lett 19: 3602-6 (2009) Article DOI: 10.1016/j.bmcl.2009.04.127 BindingDB Entry DOI: 10.7270/Q2RX9BZV
					More data for this Ligand-Target Pair

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