Compile Data Set for Download or QSAR

Found 115 hits Enz. Inhib. hit(s) with all data for entry = 50020262   

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 1A2 (Homo sapiens (Human))	BDBM50211857 (2-[(3-chlorophenyl)amino]-n-(4-pyridinylmethyl)-4-...) Show SMILES FC(F)(F)c1nc(Nc2cccc(Cl)c2)ncc1C(=O)NCc1ccncc1 Show InChI InChI=1S/C18H13ClF3N5O/c19-12-2-1-3-13(8-12)26-17-25-10-14(15(27-17)18(20,21)22)16(28)24-9-11-4-6-23-7-5-11/h1-8,10H,9H2,(H,24,28)(H,25,26,27)	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	400	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP1A2				J Med Chem 50: 2597-600 (2007) Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50211857 (2-[(3-chlorophenyl)amino]-n-(4-pyridinylmethyl)-4-...) Show SMILES FC(F)(F)c1nc(Nc2cccc(Cl)c2)ncc1C(=O)NCc1ccncc1 Show InChI InChI=1S/C18H13ClF3N5O/c19-12-2-1-3-13(8-12)26-17-25-10-14(15(27-17)18(20,21)22)16(28)24-9-11-4-6-23-7-5-11/h1-8,10H,9H2,(H,24,28)(H,25,26,27)	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	900	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP2C9				J Med Chem 50: 2597-600 (2007) Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50211848 (2-(3-chlorophenylamino)-4-trifluoromethylpyrimidin...) Show SMILES Fc1ccc(CNC(=O)c2cnc(Nc3cccc(Cl)c3)nc2C(F)(F)F)cc1 Show InChI InChI=1S/C19H13ClF4N4O/c20-12-2-1-3-14(8-12)27-18-26-10-15(16(28-18)19(22,23)24)17(29)25-9-11-4-6-13(21)7-5-11/h1-8,10H,9H2,(H,25,29)(H,26,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP2D6				J Med Chem 50: 2597-600 (2007) Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50211857 (2-[(3-chlorophenyl)amino]-n-(4-pyridinylmethyl)-4-...) Show SMILES FC(F)(F)c1nc(Nc2cccc(Cl)c2)ncc1C(=O)NCc1ccncc1 Show InChI InChI=1S/C18H13ClF3N5O/c19-12-2-1-3-13(8-12)26-17-25-10-14(15(27-17)18(20,21)22)16(28)24-9-11-4-6-23-7-5-11/h1-8,10H,9H2,(H,24,28)(H,25,26,27)	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	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP2C19				J Med Chem 50: 2597-600 (2007) Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50211860 (2-(3-chlorophenylamino)-4-trifluoromethylpyrimidin...) Show SMILES FC(F)(F)c1nc(Nc2cccc(Cl)c2)ncc1C(=O)NCC1CCC1 Show InChI InChI=1S/C17H16ClF3N4O/c18-11-5-2-6-12(7-11)24-16-23-9-13(14(25-16)17(19,20)21)15(26)22-8-10-3-1-4-10/h2,5-7,9-10H,1,3-4,8H2,(H,22,26)(H,23,24,25)	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	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP2C9				J Med Chem 50: 2597-600 (2007) Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50211848 (2-(3-chlorophenylamino)-4-trifluoromethylpyrimidin...) Show SMILES Fc1ccc(CNC(=O)c2cnc(Nc3cccc(Cl)c3)nc2C(F)(F)F)cc1 Show InChI InChI=1S/C19H13ClF4N4O/c20-12-2-1-3-14(8-12)27-18-26-10-15(16(28-18)19(22,23)24)17(29)25-9-11-4-6-13(21)7-5-11/h1-8,10H,9H2,(H,25,29)(H,26,27,28)	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	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP3A4				J Med Chem 50: 2597-600 (2007) Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50211859 (2-(3-chlorophenylamino)-4-trifluoromethylpyrimidin...) Show SMILES FC(F)(F)c1nc(Nc2cccc(Cl)c2)ncc1C(=O)NCC1CCCC1 Show InChI InChI=1S/C18H18ClF3N4O/c19-12-6-3-7-13(8-12)25-17-24-10-14(15(26-17)18(20,21)22)16(27)23-9-11-4-1-2-5-11/h3,6-8,10-11H,1-2,4-5,9H2,(H,23,27)(H,24,25,26)	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	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP2C9				J Med Chem 50: 2597-600 (2007) Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50211848 (2-(3-chlorophenylamino)-4-trifluoromethylpyrimidin...) Show SMILES Fc1ccc(CNC(=O)c2cnc(Nc3cccc(Cl)c3)nc2C(F)(F)F)cc1 Show InChI InChI=1S/C19H13ClF4N4O/c20-12-2-1-3-14(8-12)27-18-26-10-15(16(28-18)19(22,23)24)17(29)25-9-11-4-6-13(21)7-5-11/h1-8,10H,9H2,(H,25,29)(H,26,27,28)	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	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP1A2				J Med Chem 50: 2597-600 (2007) Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50211860 (2-(3-chlorophenylamino)-4-trifluoromethylpyrimidin...) Show SMILES FC(F)(F)c1nc(Nc2cccc(Cl)c2)ncc1C(=O)NCC1CCC1 Show InChI InChI=1S/C17H16ClF3N4O/c18-11-5-2-6-12(7-11)24-16-23-9-13(14(25-16)17(19,20)21)15(26)22-8-10-3-1-4-10/h2,5-7,9-10H,1,3-4,8H2,(H,22,26)(H,23,24,25)	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	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP1A2				J Med Chem 50: 2597-600 (2007) Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50211848 (2-(3-chlorophenylamino)-4-trifluoromethylpyrimidin...) Show SMILES Fc1ccc(CNC(=O)c2cnc(Nc3cccc(Cl)c3)nc2C(F)(F)F)cc1 Show InChI InChI=1S/C19H13ClF4N4O/c20-12-2-1-3-14(8-12)27-18-26-10-15(16(28-18)19(22,23)24)17(29)25-9-11-4-6-13(21)7-5-11/h1-8,10H,9H2,(H,25,29)(H,26,27,28)	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	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP2C9				J Med Chem 50: 2597-600 (2007) Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50211855 (2-(3,4-dichlorophenylamino)-4-trifluoromethylpyrim...) Show SMILES FC(F)(F)c1nc(Nc2ccc(Cl)c(Cl)c2)ncc1C(=O)NCC1CCOCC1 Show InChI InChI=1S/C18H17Cl2F3N4O2/c19-13-2-1-11(7-14(13)20)26-17-25-9-12(15(27-17)18(21,22)23)16(28)24-8-10-3-5-29-6-4-10/h1-2,7,9-10H,3-6,8H2,(H,24,28)(H,25,26,27)	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	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP1A2				J Med Chem 50: 2597-600 (2007) Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50211860 (2-(3-chlorophenylamino)-4-trifluoromethylpyrimidin...) Show SMILES FC(F)(F)c1nc(Nc2cccc(Cl)c2)ncc1C(=O)NCC1CCC1 Show InChI InChI=1S/C17H16ClF3N4O/c18-11-5-2-6-12(7-11)24-16-23-9-13(14(25-16)17(19,20)21)15(26)22-8-10-3-1-4-10/h2,5-7,9-10H,1,3-4,8H2,(H,22,26)(H,23,24,25)	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	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP2C19				J Med Chem 50: 2597-600 (2007) Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50211845 (2-(3-chlorophenylamino)-4-trifluoromethylpyrimidin...) Show SMILES FC(F)(F)c1nc(Nc2cccc(Cl)c2)ncc1C(=O)NCC1CCCCC1 Show InChI InChI=1S/C19H20ClF3N4O/c20-13-7-4-8-14(9-13)26-18-25-11-15(16(27-18)19(21,22)23)17(28)24-10-12-5-2-1-3-6-12/h4,7-9,11-12H,1-3,5-6,10H2,(H,24,28)(H,25,26,27)	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	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP2C9				J Med Chem 50: 2597-600 (2007) Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50211846 (2-(3-chlorophenylamino)-4-carboxylic acid (1-hydro...) Show SMILES OC1(CNC(=O)c2cnc(Nc3cccc(Cl)c3)nc2C(F)(F)F)CCCCC1 Show InChI InChI=1S/C19H20ClF3N4O2/c20-12-5-4-6-13(9-12)26-17-24-10-14(15(27-17)19(21,22)23)16(28)25-11-18(29)7-2-1-3-8-18/h4-6,9-10,29H,1-3,7-8,11H2,(H,25,28)(H,24,26,27)	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	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP2C9				J Med Chem 50: 2597-600 (2007) Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50211846 (2-(3-chlorophenylamino)-4-carboxylic acid (1-hydro...) Show SMILES OC1(CNC(=O)c2cnc(Nc3cccc(Cl)c3)nc2C(F)(F)F)CCCCC1 Show InChI InChI=1S/C19H20ClF3N4O2/c20-12-5-4-6-13(9-12)26-17-24-10-14(15(27-17)19(21,22)23)16(28)25-11-18(29)7-2-1-3-8-18/h4-6,9-10,29H,1-3,7-8,11H2,(H,25,28)(H,24,26,27)	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	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP3A4				J Med Chem 50: 2597-600 (2007) Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50211846 (2-(3-chlorophenylamino)-4-carboxylic acid (1-hydro...) Show SMILES OC1(CNC(=O)c2cnc(Nc3cccc(Cl)c3)nc2C(F)(F)F)CCCCC1 Show InChI InChI=1S/C19H20ClF3N4O2/c20-12-5-4-6-13(9-12)26-17-24-10-14(15(27-17)19(21,22)23)16(28)25-11-18(29)7-2-1-3-8-18/h4-6,9-10,29H,1-3,7-8,11H2,(H,25,28)(H,24,26,27)	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+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP1A2				J Med Chem 50: 2597-600 (2007) Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50211848 (2-(3-chlorophenylamino)-4-trifluoromethylpyrimidin...) Show SMILES Fc1ccc(CNC(=O)c2cnc(Nc3cccc(Cl)c3)nc2C(F)(F)F)cc1 Show InChI InChI=1S/C19H13ClF4N4O/c20-12-2-1-3-14(8-12)27-18-26-10-15(16(28-18)19(22,23)24)17(29)25-9-11-4-6-13(21)7-5-11/h1-8,10H,9H2,(H,25,29)(H,26,27,28)	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	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP2C19				J Med Chem 50: 2597-600 (2007) Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50211849 (2-(3,5-dichlorophenylamino)-4-trifluoromethylpyrim...) Show SMILES FC(F)(F)c1nc(Nc2cc(Cl)cc(Cl)c2)ncc1C(=O)NCC1CCOCC1 Show InChI InChI=1S/C18H17Cl2F3N4O2/c19-11-5-12(20)7-13(6-11)26-17-25-9-14(15(27-17)18(21,22)23)16(28)24-8-10-1-3-29-4-2-10/h5-7,9-10H,1-4,8H2,(H,24,28)(H,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP2C9				J Med Chem 50: 2597-600 (2007) Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50211846 (2-(3-chlorophenylamino)-4-carboxylic acid (1-hydro...) Show SMILES OC1(CNC(=O)c2cnc(Nc3cccc(Cl)c3)nc2C(F)(F)F)CCCCC1 Show InChI InChI=1S/C19H20ClF3N4O2/c20-12-5-4-6-13(9-12)26-17-24-10-14(15(27-17)19(21,22)23)16(28)25-11-18(29)7-2-1-3-8-18/h4-6,9-10,29H,1-3,7-8,11H2,(H,25,28)(H,24,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP2D6				J Med Chem 50: 2597-600 (2007) Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50211859 (2-(3-chlorophenylamino)-4-trifluoromethylpyrimidin...) Show SMILES FC(F)(F)c1nc(Nc2cccc(Cl)c2)ncc1C(=O)NCC1CCCC1 Show InChI InChI=1S/C18H18ClF3N4O/c19-12-6-3-7-13(8-12)25-17-24-10-14(15(26-17)18(20,21)22)16(27)23-9-11-4-1-2-5-11/h3,6-8,10-11H,1-2,4-5,9H2,(H,23,27)(H,24,25,26)	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	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP2C19				J Med Chem 50: 2597-600 (2007) Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50211849 (2-(3,5-dichlorophenylamino)-4-trifluoromethylpyrim...) Show SMILES FC(F)(F)c1nc(Nc2cc(Cl)cc(Cl)c2)ncc1C(=O)NCC1CCOCC1 Show InChI InChI=1S/C18H17Cl2F3N4O2/c19-11-5-12(20)7-13(6-11)26-17-25-9-14(15(27-17)18(21,22)23)16(28)24-8-10-1-3-29-4-2-10/h5-7,9-10H,1-4,8H2,(H,24,28)(H,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP2C19				J Med Chem 50: 2597-600 (2007) Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50211846 (2-(3-chlorophenylamino)-4-carboxylic acid (1-hydro...) Show SMILES OC1(CNC(=O)c2cnc(Nc3cccc(Cl)c3)nc2C(F)(F)F)CCCCC1 Show InChI InChI=1S/C19H20ClF3N4O2/c20-12-5-4-6-13(9-12)26-17-24-10-14(15(27-17)19(21,22)23)16(28)25-11-18(29)7-2-1-3-8-18/h4-6,9-10,29H,1-3,7-8,11H2,(H,25,28)(H,24,26,27)	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	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP2C19				J Med Chem 50: 2597-600 (2007) Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50211844 (2-(3-chlorophenylamino)-4-trifluoromethylpyrimidin...) Show SMILES FC(F)(F)c1nc(Nc2cccc(Cl)c2)ncc1C(=O)NCC1CCOCC1 Show InChI InChI=1S/C18H18ClF3N4O2/c19-12-2-1-3-13(8-12)25-17-24-10-14(15(26-17)18(20,21)22)16(27)23-9-11-4-6-28-7-5-11/h1-3,8,10-11H,4-7,9H2,(H,23,27)(H,24,25,26)	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	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP2C9				J Med Chem 50: 2597-600 (2007) Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50211845 (2-(3-chlorophenylamino)-4-trifluoromethylpyrimidin...) Show SMILES FC(F)(F)c1nc(Nc2cccc(Cl)c2)ncc1C(=O)NCC1CCCCC1 Show InChI InChI=1S/C19H20ClF3N4O/c20-13-7-4-8-14(9-13)26-18-25-11-15(16(27-18)19(21,22)23)17(28)24-10-12-5-2-1-3-6-12/h4,7-9,11-12H,1-3,5-6,10H2,(H,24,28)(H,25,26,27)	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	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP2C19				J Med Chem 50: 2597-600 (2007) Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50211860 (2-(3-chlorophenylamino)-4-trifluoromethylpyrimidin...) Show SMILES FC(F)(F)c1nc(Nc2cccc(Cl)c2)ncc1C(=O)NCC1CCC1 Show InChI InChI=1S/C17H16ClF3N4O/c18-11-5-2-6-12(7-11)24-16-23-9-13(14(25-16)17(19,20)21)15(26)22-8-10-3-1-4-10/h2,5-7,9-10H,1,3-4,8H2,(H,22,26)(H,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP2D6				J Med Chem 50: 2597-600 (2007) Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50211852 (2-(3,5-difluorophenylamino)-4-trifluoromethyl-pyri...) Show SMILES Fc1cc(F)cc(Nc2ncc(C(=O)NCC3CCOCC3)c(n2)C(F)(F)F)c1 Show InChI InChI=1S/C18H17F5N4O2/c19-11-5-12(20)7-13(6-11)26-17-25-9-14(15(27-17)18(21,22)23)16(28)24-8-10-1-3-29-4-2-10/h5-7,9-10H,1-4,8H2,(H,24,28)(H,25,26,27)	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	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP1A2				J Med Chem 50: 2597-600 (2007) Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50211855 (2-(3,4-dichlorophenylamino)-4-trifluoromethylpyrim...) Show SMILES FC(F)(F)c1nc(Nc2ccc(Cl)c(Cl)c2)ncc1C(=O)NCC1CCOCC1 Show InChI InChI=1S/C18H17Cl2F3N4O2/c19-13-2-1-11(7-14(13)20)26-17-25-9-12(15(27-17)18(21,22)23)16(28)24-8-10-3-5-29-6-4-10/h1-2,7,9-10H,3-6,8H2,(H,24,28)(H,25,26,27)	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+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP3A4				J Med Chem 50: 2597-600 (2007) Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50211855 (2-(3,4-dichlorophenylamino)-4-trifluoromethylpyrim...) Show SMILES FC(F)(F)c1nc(Nc2ccc(Cl)c(Cl)c2)ncc1C(=O)NCC1CCOCC1 Show InChI InChI=1S/C18H17Cl2F3N4O2/c19-13-2-1-11(7-14(13)20)26-17-25-9-12(15(27-17)18(21,22)23)16(28)24-8-10-3-5-29-6-4-10/h1-2,7,9-10H,3-6,8H2,(H,24,28)(H,25,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP2D6				J Med Chem 50: 2597-600 (2007) Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50211855 (2-(3,4-dichlorophenylamino)-4-trifluoromethylpyrim...) Show SMILES FC(F)(F)c1nc(Nc2ccc(Cl)c(Cl)c2)ncc1C(=O)NCC1CCOCC1 Show InChI InChI=1S/C18H17Cl2F3N4O2/c19-13-2-1-11(7-14(13)20)26-17-25-9-12(15(27-17)18(21,22)23)16(28)24-8-10-3-5-29-6-4-10/h1-2,7,9-10H,3-6,8H2,(H,24,28)(H,25,26,27)	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+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP2C9				J Med Chem 50: 2597-600 (2007) Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50211855 (2-(3,4-dichlorophenylamino)-4-trifluoromethylpyrim...) Show SMILES FC(F)(F)c1nc(Nc2ccc(Cl)c(Cl)c2)ncc1C(=O)NCC1CCOCC1 Show InChI InChI=1S/C18H17Cl2F3N4O2/c19-13-2-1-11(7-14(13)20)26-17-25-9-12(15(27-17)18(21,22)23)16(28)24-8-10-3-5-29-6-4-10/h1-2,7,9-10H,3-6,8H2,(H,24,28)(H,25,26,27)	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+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP2C19				J Med Chem 50: 2597-600 (2007) Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50211853 (2-(2-fluoro-5-chlorophenylamino)-4-trifluoromethyl...) Show SMILES Fc1ccc(Cl)cc1Nc1ncc(C(=O)NCC2CCOCC2)c(n1)C(F)(F)F Show InChI InChI=1S/C18H17ClF4N4O2/c19-11-1-2-13(20)14(7-11)26-17-25-9-12(15(27-17)18(21,22)23)16(28)24-8-10-3-5-29-6-4-10/h1-2,7,9-10H,3-6,8H2,(H,24,28)(H,25,26,27)	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	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP1A2				J Med Chem 50: 2597-600 (2007) Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50211849 (2-(3,5-dichlorophenylamino)-4-trifluoromethylpyrim...) Show SMILES FC(F)(F)c1nc(Nc2cc(Cl)cc(Cl)c2)ncc1C(=O)NCC1CCOCC1 Show InChI InChI=1S/C18H17Cl2F3N4O2/c19-11-5-12(20)7-13(6-11)26-17-25-9-14(15(27-17)18(21,22)23)16(28)24-8-10-1-3-29-4-2-10/h5-7,9-10H,1-4,8H2,(H,24,28)(H,25,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP2D6				J Med Chem 50: 2597-600 (2007) Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50211859 (2-(3-chlorophenylamino)-4-trifluoromethylpyrimidin...) Show SMILES FC(F)(F)c1nc(Nc2cccc(Cl)c2)ncc1C(=O)NCC1CCCC1 Show InChI InChI=1S/C18H18ClF3N4O/c19-12-6-3-7-13(8-12)25-17-24-10-14(15(26-17)18(20,21)22)16(27)23-9-11-4-1-2-5-11/h3,6-8,10-11H,1-2,4-5,9H2,(H,23,27)(H,24,25,26)	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	3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP1A2				J Med Chem 50: 2597-600 (2007) Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50211853 (2-(2-fluoro-5-chlorophenylamino)-4-trifluoromethyl...) Show SMILES Fc1ccc(Cl)cc1Nc1ncc(C(=O)NCC2CCOCC2)c(n1)C(F)(F)F Show InChI InChI=1S/C18H17ClF4N4O2/c19-11-1-2-13(20)14(7-11)26-17-25-9-12(15(27-17)18(21,22)23)16(28)24-8-10-3-5-29-6-4-10/h1-2,7,9-10H,3-6,8H2,(H,24,28)(H,25,26,27)	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	3.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP2C9				J Med Chem 50: 2597-600 (2007) Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50211849 (2-(3,5-dichlorophenylamino)-4-trifluoromethylpyrim...) Show SMILES FC(F)(F)c1nc(Nc2cc(Cl)cc(Cl)c2)ncc1C(=O)NCC1CCOCC1 Show InChI InChI=1S/C18H17Cl2F3N4O2/c19-11-5-12(20)7-13(6-11)26-17-25-9-14(15(27-17)18(21,22)23)16(28)24-8-10-1-3-29-4-2-10/h5-7,9-10H,1-4,8H2,(H,24,28)(H,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP3A4				J Med Chem 50: 2597-600 (2007) Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50211852 (2-(3,5-difluorophenylamino)-4-trifluoromethyl-pyri...) Show SMILES Fc1cc(F)cc(Nc2ncc(C(=O)NCC3CCOCC3)c(n2)C(F)(F)F)c1 Show InChI InChI=1S/C18H17F5N4O2/c19-11-5-12(20)7-13(6-11)26-17-25-9-14(15(27-17)18(21,22)23)16(28)24-8-10-1-3-29-4-2-10/h5-7,9-10H,1-4,8H2,(H,24,28)(H,25,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP2D6				J Med Chem 50: 2597-600 (2007) Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50211844 (2-(3-chlorophenylamino)-4-trifluoromethylpyrimidin...) Show SMILES FC(F)(F)c1nc(Nc2cccc(Cl)c2)ncc1C(=O)NCC1CCOCC1 Show InChI InChI=1S/C18H18ClF3N4O2/c19-12-2-1-3-13(8-12)25-17-24-10-14(15(26-17)18(20,21)22)16(27)23-9-11-4-6-28-7-5-11/h1-3,8,10-11H,4-7,9H2,(H,23,27)(H,24,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP2D6				J Med Chem 50: 2597-600 (2007) Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50211844 (2-(3-chlorophenylamino)-4-trifluoromethylpyrimidin...) Show SMILES FC(F)(F)c1nc(Nc2cccc(Cl)c2)ncc1C(=O)NCC1CCOCC1 Show InChI InChI=1S/C18H18ClF3N4O2/c19-12-2-1-3-13(8-12)25-17-24-10-14(15(26-17)18(20,21)22)16(27)23-9-11-4-6-28-7-5-11/h1-3,8,10-11H,4-7,9H2,(H,23,27)(H,24,25,26)	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	5.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP3A4				J Med Chem 50: 2597-600 (2007) Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50211844 (2-(3-chlorophenylamino)-4-trifluoromethylpyrimidin...) Show SMILES FC(F)(F)c1nc(Nc2cccc(Cl)c2)ncc1C(=O)NCC1CCOCC1 Show InChI InChI=1S/C18H18ClF3N4O2/c19-12-2-1-3-13(8-12)25-17-24-10-14(15(26-17)18(20,21)22)16(27)23-9-11-4-6-28-7-5-11/h1-3,8,10-11H,4-7,9H2,(H,23,27)(H,24,25,26)	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	5.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP2C19				J Med Chem 50: 2597-600 (2007) Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50211859 (2-(3-chlorophenylamino)-4-trifluoromethylpyrimidin...) Show SMILES FC(F)(F)c1nc(Nc2cccc(Cl)c2)ncc1C(=O)NCC1CCCC1 Show InChI InChI=1S/C18H18ClF3N4O/c19-12-6-3-7-13(8-12)25-17-24-10-14(15(26-17)18(20,21)22)16(27)23-9-11-4-1-2-5-11/h3,6-8,10-11H,1-2,4-5,9H2,(H,23,27)(H,24,25,26)	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	6.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP3A4				J Med Chem 50: 2597-600 (2007) Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50211853 (2-(2-fluoro-5-chlorophenylamino)-4-trifluoromethyl...) Show SMILES Fc1ccc(Cl)cc1Nc1ncc(C(=O)NCC2CCOCC2)c(n1)C(F)(F)F Show InChI InChI=1S/C18H17ClF4N4O2/c19-11-1-2-13(20)14(7-11)26-17-25-9-12(15(27-17)18(21,22)23)16(28)24-8-10-3-5-29-6-4-10/h1-2,7,9-10H,3-6,8H2,(H,24,28)(H,25,26,27)	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	6.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP3A4				J Med Chem 50: 2597-600 (2007) Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50211860 (2-(3-chlorophenylamino)-4-trifluoromethylpyrimidin...) Show SMILES FC(F)(F)c1nc(Nc2cccc(Cl)c2)ncc1C(=O)NCC1CCC1 Show InChI InChI=1S/C17H16ClF3N4O/c18-11-5-2-6-12(7-11)24-16-23-9-13(14(25-16)17(19,20)21)15(26)22-8-10-3-1-4-10/h2,5-7,9-10H,1,3-4,8H2,(H,22,26)(H,23,24,25)	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	7.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP3A4				J Med Chem 50: 2597-600 (2007) Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50211854 (2-(2-fluoro-3-chlorophenylamino)-4-trifluoromethyl...) Show SMILES Fc1c(Cl)cccc1Nc1ncc(C(=O)NCC2CCOCC2)c(n1)C(F)(F)F Show InChI InChI=1S/C18H17ClF4N4O2/c19-12-2-1-3-13(14(12)20)26-17-25-9-11(15(27-17)18(21,22)23)16(28)24-8-10-4-6-29-7-5-10/h1-3,9-10H,4-8H2,(H,24,28)(H,25,26,27)	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	7.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP2C9				J Med Chem 50: 2597-600 (2007) Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50211845 (2-(3-chlorophenylamino)-4-trifluoromethylpyrimidin...) Show SMILES FC(F)(F)c1nc(Nc2cccc(Cl)c2)ncc1C(=O)NCC1CCCCC1 Show InChI InChI=1S/C19H20ClF3N4O/c20-13-7-4-8-14(9-13)26-18-25-11-15(16(27-18)19(21,22)23)17(28)24-10-12-5-2-1-3-6-12/h4,7-9,11-12H,1-3,5-6,10H2,(H,24,28)(H,25,26,27)	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	8.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP3A4				J Med Chem 50: 2597-600 (2007) Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50211852 (2-(3,5-difluorophenylamino)-4-trifluoromethyl-pyri...) Show SMILES Fc1cc(F)cc(Nc2ncc(C(=O)NCC3CCOCC3)c(n2)C(F)(F)F)c1 Show InChI InChI=1S/C18H17F5N4O2/c19-11-5-12(20)7-13(6-11)26-17-25-9-14(15(27-17)18(21,22)23)16(28)24-8-10-1-3-29-4-2-10/h5-7,9-10H,1-4,8H2,(H,24,28)(H,25,26,27)	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	9.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP2C19				J Med Chem 50: 2597-600 (2007) Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50211854 (2-(2-fluoro-3-chlorophenylamino)-4-trifluoromethyl...) Show SMILES Fc1c(Cl)cccc1Nc1ncc(C(=O)NCC2CCOCC2)c(n1)C(F)(F)F Show InChI InChI=1S/C18H17ClF4N4O2/c19-12-2-1-3-13(14(12)20)26-17-25-9-11(15(27-17)18(21,22)23)16(28)24-8-10-4-6-29-7-5-10/h1-3,9-10H,4-8H2,(H,24,28)(H,25,26,27)	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	9.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP1A2				J Med Chem 50: 2597-600 (2007) Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50211840 (2-(2-fluoro-4-chlorophenylamino)-4-trifluoromethyl...) Show SMILES Fc1cc(Cl)ccc1Nc1ncc(C(=O)NCC2CCOCC2)c(n1)C(F)(F)F Show InChI InChI=1S/C18H17ClF4N4O2/c19-11-1-2-14(13(20)7-11)26-17-25-9-12(15(27-17)18(21,22)23)16(28)24-8-10-3-5-29-6-4-10/h1-2,7,9-10H,3-6,8H2,(H,24,28)(H,25,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP2D6				J Med Chem 50: 2597-600 (2007) Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50211843 (2-(2,4-dichlorophenylamino)-4-trifluoromethyl-pyri...) Show SMILES FC(F)(F)c1nc(Nc2ccc(Cl)cc2Cl)ncc1C(=O)NCC1CCOCC1 Show InChI InChI=1S/C18H17Cl2F3N4O2/c19-11-1-2-14(13(20)7-11)26-17-25-9-12(15(27-17)18(21,22)23)16(28)24-8-10-3-5-29-6-4-10/h1-2,7,9-10H,3-6,8H2,(H,24,28)(H,25,26,27)	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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP3A4				J Med Chem 50: 2597-600 (2007) Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50211854 (2-(2-fluoro-3-chlorophenylamino)-4-trifluoromethyl...) Show SMILES Fc1c(Cl)cccc1Nc1ncc(C(=O)NCC2CCOCC2)c(n1)C(F)(F)F Show InChI InChI=1S/C18H17ClF4N4O2/c19-12-2-1-3-13(14(12)20)26-17-25-9-11(15(27-17)18(21,22)23)16(28)24-8-10-4-6-29-7-5-10/h1-3,9-10H,4-8H2,(H,24,28)(H,25,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP2D6				J Med Chem 50: 2597-600 (2007) Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50211854 (2-(2-fluoro-3-chlorophenylamino)-4-trifluoromethyl...) Show SMILES Fc1c(Cl)cccc1Nc1ncc(C(=O)NCC2CCOCC2)c(n1)C(F)(F)F Show InChI InChI=1S/C18H17ClF4N4O2/c19-12-2-1-3-13(14(12)20)26-17-25-9-11(15(27-17)18(21,22)23)16(28)24-8-10-4-6-29-7-5-10/h1-3,9-10H,4-8H2,(H,24,28)(H,25,26,27)	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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP3A4				J Med Chem 50: 2597-600 (2007) Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7
					More data for this Ligand-Target Pair

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