Compile Data Set for Download or QSAR

Found 45 hits with Last Name = 'dalterio' and Initial = 'ra'   

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
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50268472 ((R)-1-(1,4'-bipiperidin-1'-yl)-3-(7-methyl-1H-inda...) Show SMILES Cc1cc(C[C@@H](OC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12 |r| Show InChI InChI=1S/C35H45N7O4/c1-24-19-25(20-27-22-36-38-32(24)27)21-31(33(43)40-15-9-28(10-16-40)39-13-5-2-6-14-39)46-35(45)41-17-11-29(12-18-41)42-23-26-7-3-4-8-30(26)37-34(42)44/h3-4,7-8,19-20,22,28-29,31H,2,5-6,9-18,21,23H2,1H3,(H,36,38)(H,37,44)/t31-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0100	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Antagonist activity at human cloned CGRP receptor expressed in mouse E10 cells assessed as inhibition of CGRP-induced cAMP production				Bioorg Med Chem Lett 19: 3555-8 (2009) Article DOI: 10.1016/j.bmcl.2009.04.150 BindingDB Entry DOI: 10.7270/Q2WM1DBQ
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50268471 ((R)-1-(1,4'-bipiperidin-1'-yl)-3-(7-methyl-1H-inda...) Show SMILES Cc1cc(C[C@@H](OC(=O)N2CCC(CC2)N2Cc3cccc(F)c3NC2=O)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12 |r| Show InChI InChI=1S/C35H44FN7O4/c1-23-18-24(19-26-21-37-39-31(23)26)20-30(33(44)41-14-8-27(9-15-41)40-12-3-2-4-13-40)47-35(46)42-16-10-28(11-17-42)43-22-25-6-5-7-29(36)32(25)38-34(43)45/h5-7,18-19,21,27-28,30H,2-4,8-17,20,22H2,1H3,(H,37,39)(H,38,45)/t30-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0110	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Antagonist activity at human cloned CGRP receptor expressed in mouse E10 cells assessed as inhibition of CGRP-induced cAMP production				Bioorg Med Chem Lett 19: 3555-8 (2009) Article DOI: 10.1016/j.bmcl.2009.04.150 BindingDB Entry DOI: 10.7270/Q2WM1DBQ
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50268474 ((R)-1-(1,4'-bipiperidin-1'-yl)-3-(7-methyl-1H-inda...) Show SMILES Cc1cc(C[C@@H](OC(=O)N2CCC(CC2)c2cc3ccccc3[nH]c2=O)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12 |r| Show InChI InChI=1S/C36H44N6O4/c1-24-19-25(20-28-23-37-39-33(24)28)21-32(35(44)41-17-11-29(12-18-41)40-13-5-2-6-14-40)46-36(45)42-15-9-26(10-16-42)30-22-27-7-3-4-8-31(27)38-34(30)43/h3-4,7-8,19-20,22-23,26,29,32H,2,5-6,9-18,21H2,1H3,(H,37,39)(H,38,43)/t32-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0170	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Antagonist activity at human cloned CGRP receptor expressed in mouse E10 cells assessed as inhibition of CGRP-induced cAMP production				Bioorg Med Chem Lett 19: 3555-8 (2009) Article DOI: 10.1016/j.bmcl.2009.04.150 BindingDB Entry DOI: 10.7270/Q2WM1DBQ
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50268481 ((R)-1-(4-cyclohexylpiperazin-1-yl)-3-(7-methyl-1H-...) Show SMILES Cc1cc(C[C@@H](OC(=O)N2CCC(CC2)c2cc3ccccc3[nH]c2=O)C(=O)N2CCN(CC2)C2CCCCC2)cc2cn[nH]c12 |r| Show InChI InChI=1S/C36H44N6O4/c1-24-19-25(20-28-23-37-39-33(24)28)21-32(35(44)41-17-15-40(16-18-41)29-8-3-2-4-9-29)46-36(45)42-13-11-26(12-14-42)30-22-27-7-5-6-10-31(27)38-34(30)43/h5-7,10,19-20,22-23,26,29,32H,2-4,8-9,11-18,21H2,1H3,(H,37,39)(H,38,43)/t32-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0200	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Antagonist activity at human cloned CGRP receptor expressed in mouse E10 cells assessed as inhibition of CGRP-induced cAMP production				Bioorg Med Chem Lett 19: 3555-8 (2009) Article DOI: 10.1016/j.bmcl.2009.04.150 BindingDB Entry DOI: 10.7270/Q2WM1DBQ
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50268473 ((R)-1-(1,4'-bipiperidin-1'-yl)-3-(7-methyl-1H-inda...) Show SMILES Cc1cc(C[C@@H](OC(=O)N2CCC(CC2)N2Cc3ccc(F)cc3NC2=O)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12 |r| Show InChI InChI=1S/C35H44FN7O4/c1-23-17-24(18-26-21-37-39-32(23)26)19-31(33(44)41-13-7-28(8-14-41)40-11-3-2-4-12-40)47-35(46)42-15-9-29(10-16-42)43-22-25-5-6-27(36)20-30(25)38-34(43)45/h5-6,17-18,20-21,28-29,31H,2-4,7-16,19,22H2,1H3,(H,37,39)(H,38,45)/t31-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0220	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Antagonist activity at human cloned CGRP receptor expressed in mouse E10 cells assessed as inhibition of CGRP-induced cAMP production				Bioorg Med Chem Lett 19: 3555-8 (2009) Article DOI: 10.1016/j.bmcl.2009.04.150 BindingDB Entry DOI: 10.7270/Q2WM1DBQ
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50268480 ((2R)-3-(7-methyl-1H-indazol-5-yl)-1-(9-methyl-3,9-...) Show SMILES CN1CCC2(CC1)CCN(CC2)C(=O)[C@@H](Cc1cc(C)c2[nH]ncc2c1)OC(=O)N1CCC(CC1)c1cc2ccccc2[nH]c1=O |r| Show InChI InChI=1S/C36H44N6O4/c1-24-19-25(20-28-23-37-39-32(24)28)21-31(34(44)41-17-11-36(12-18-41)9-15-40(2)16-10-36)46-35(45)42-13-7-26(8-14-42)29-22-27-5-3-4-6-30(27)38-33(29)43/h3-6,19-20,22-23,26,31H,7-18,21H2,1-2H3,(H,37,39)(H,38,43)/t31-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0440	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Antagonist activity at human cloned CGRP receptor expressed in mouse E10 cells assessed as inhibition of CGRP-induced cAMP production				Bioorg Med Chem Lett 19: 3555-8 (2009) Article DOI: 10.1016/j.bmcl.2009.04.150 BindingDB Entry DOI: 10.7270/Q2WM1DBQ
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50268479 ((R)-1-(4-(5,6-dihydropyridin-1(2H)-yl)piperidin-1-...) Show SMILES Cc1cc(C[C@@H](OC(=O)N2CCC(CC2)c2cc3ccccc3[nH]c2=O)C(=O)N2CCC(CC2)N2CCC=CC2)cc2cn[nH]c12 |r,c:41| Show InChI InChI=1S/C36H42N6O4/c1-24-19-25(20-28-23-37-39-33(24)28)21-32(35(44)41-17-11-29(12-18-41)40-13-5-2-6-14-40)46-36(45)42-15-9-26(10-16-42)30-22-27-7-3-4-8-31(27)38-34(30)43/h2-5,7-8,19-20,22-23,26,29,32H,6,9-18,21H2,1H3,(H,37,39)(H,38,43)/t32-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0530	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Antagonist activity at human cloned CGRP receptor expressed in mouse E10 cells assessed as inhibition of CGRP-induced cAMP production				Bioorg Med Chem Lett 19: 3555-8 (2009) Article DOI: 10.1016/j.bmcl.2009.04.150 BindingDB Entry DOI: 10.7270/Q2WM1DBQ
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50268475 ((R)-1-(1,4'-bipiperidin-1'-yl)-3-(7-methyl-1H-inda...) Show SMILES Cc1cc(C[C@@H](OC(=O)N2CCC(CC2)c2cc3cccc(F)c3[nH]c2=O)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12 |r| Show InChI InChI=1S/C36H43FN6O4/c1-23-18-24(19-27-22-38-40-32(23)27)20-31(35(45)42-16-10-28(11-17-42)41-12-3-2-4-13-41)47-36(46)43-14-8-25(9-15-43)29-21-26-6-5-7-30(37)33(26)39-34(29)44/h5-7,18-19,21-22,25,28,31H,2-4,8-17,20H2,1H3,(H,38,40)(H,39,44)/t31-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0570	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Antagonist activity at human cloned CGRP receptor expressed in mouse E10 cells assessed as inhibition of CGRP-induced cAMP production				Bioorg Med Chem Lett 19: 3555-8 (2009) Article DOI: 10.1016/j.bmcl.2009.04.150 BindingDB Entry DOI: 10.7270/Q2WM1DBQ
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50268482 ((R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-(pyrid...) Show SMILES Cc1cc(C[C@@H](OC(=O)N2CCC(CC2)c2cc3ccccc3[nH]c2=O)C(=O)N2CCN(CC2)c2ccncc2)cc2cn[nH]c12 |r| Show InChI InChI=1S/C35H37N7O4/c1-23-18-24(19-27-22-37-39-32(23)27)20-31(34(44)41-16-14-40(15-17-41)28-6-10-36-11-7-28)46-35(45)42-12-8-25(9-13-42)29-21-26-4-2-3-5-30(26)38-33(29)43/h2-7,10-11,18-19,21-22,25,31H,8-9,12-17,20H2,1H3,(H,37,39)(H,38,43)/t31-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0630	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Antagonist activity at human cloned CGRP receptor expressed in mouse E10 cells assessed as inhibition of CGRP-induced cAMP production				Bioorg Med Chem Lett 19: 3555-8 (2009) Article DOI: 10.1016/j.bmcl.2009.04.150 BindingDB Entry DOI: 10.7270/Q2WM1DBQ
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50268477 ((R)-1-(1,4'-bipiperidin-1'-yl)-3-(7-methyl-1H-inda...) Show SMILES Cc1cc(C[C@@H](OC(=O)N2CCC(CC2)n2cc([nH]c2=O)-c2ccccc2)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12 |r| Show InChI InChI=1S/C36H45N7O4/c1-25-20-26(21-28-23-37-39-33(25)28)22-32(34(44)41-16-10-29(11-17-41)40-14-6-3-7-15-40)47-36(46)42-18-12-30(13-19-42)43-24-31(38-35(43)45)27-8-4-2-5-9-27/h2,4-5,8-9,20-21,23-24,29-30,32H,3,6-7,10-19,22H2,1H3,(H,37,39)(H,38,45)/t32-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0680	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Antagonist activity at human cloned CGRP receptor expressed in mouse E10 cells assessed as inhibition of CGRP-induced cAMP production				Bioorg Med Chem Lett 19: 3555-8 (2009) Article DOI: 10.1016/j.bmcl.2009.04.150 BindingDB Entry DOI: 10.7270/Q2WM1DBQ
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50268483 ((R)-1-(4-(4-fluorophenyl)piperazin-1-yl)-3-(7-meth...) Show SMILES Cc1cc(C[C@@H](OC(=O)N2CCC(CC2)c2cc3ccccc3[nH]c2=O)C(=O)N2CCN(CC2)c2ccc(F)cc2)cc2cn[nH]c12 |r| Show InChI InChI=1S/C36H37FN6O4/c1-23-18-24(19-27-22-38-40-33(23)27)20-32(35(45)42-16-14-41(15-17-42)29-8-6-28(37)7-9-29)47-36(46)43-12-10-25(11-13-43)30-21-26-4-2-3-5-31(26)39-34(30)44/h2-9,18-19,21-22,25,32H,10-17,20H2,1H3,(H,38,40)(H,39,44)/t32-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.130	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Antagonist activity at human cloned CGRP receptor expressed in mouse E10 cells assessed as inhibition of CGRP-induced cAMP production				Bioorg Med Chem Lett 19: 3555-8 (2009) Article DOI: 10.1016/j.bmcl.2009.04.150 BindingDB Entry DOI: 10.7270/Q2WM1DBQ
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50268476 ((R)-1-(1,4'-bipiperidin-1'-yl)-3-(7-methyl-1H-inda...) Show SMILES Cc1cc(C[C@@H](OC(=O)N2CCC(CC2)c2cc3ccccc3cn2)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12 |r| Show InChI InChI=1S/C36H44N6O3/c1-25-19-26(20-30-24-38-39-34(25)30)21-33(35(43)41-17-11-31(12-18-41)40-13-5-2-6-14-40)45-36(44)42-15-9-27(10-16-42)32-22-28-7-3-4-8-29(28)23-37-32/h3-4,7-8,19-20,22-24,27,31,33H,2,5-6,9-18,21H2,1H3,(H,38,39)/t33-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.180	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Antagonist activity at human cloned CGRP receptor expressed in mouse E10 cells assessed as inhibition of CGRP-induced cAMP production				Bioorg Med Chem Lett 19: 3555-8 (2009) Article DOI: 10.1016/j.bmcl.2009.04.150 BindingDB Entry DOI: 10.7270/Q2WM1DBQ
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50268478 ((R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(piperidi...) Show SMILES Cc1cc(C[C@@H](OC(=O)N2CCC(CC2)c2cc3ccccc3[nH]c2=O)C(=O)N2CCCCC2)cc2cn[nH]c12 |r| Show InChI InChI=1S/C31H35N5O4/c1-20-15-21(16-24-19-32-34-28(20)24)17-27(30(38)35-11-5-2-6-12-35)40-31(39)36-13-9-22(10-14-36)25-18-23-7-3-4-8-26(23)33-29(25)37/h3-4,7-8,15-16,18-19,22,27H,2,5-6,9-14,17H2,1H3,(H,32,34)(H,33,37)/t27-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Antagonist activity at human cloned CGRP receptor expressed in mouse E10 cells assessed as inhibition of CGRP-induced cAMP production				Bioorg Med Chem Lett 19: 3555-8 (2009) Article DOI: 10.1016/j.bmcl.2009.04.150 BindingDB Entry DOI: 10.7270/Q2WM1DBQ
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50171275 ((+)-4-(5-chloro-2-hydroxyphenyl)-3-(2-hydroxyethyl...) Show SMILES Cn1c2ccc(cc2c(-c2cc(Cl)ccc2O)c(CCO)c1=O)C(F)(F)F |(.08,2.61,;.08,1.07,;-1.25,.3,;-2.58,1.07,;-3.91,.3,;-3.91,-1.24,;-2.58,-2.01,;-1.25,-1.24,;.08,-2.01,;.08,-3.55,;-1.25,-4.32,;-1.25,-5.86,;-2.61,-6.66,;.08,-6.63,;1.41,-5.86,;1.41,-4.32,;2.76,-3.53,;1.43,-1.24,;2.76,-1.99,;4.06,-1.14,;5.44,-1.83,;1.42,.3,;2.76,1.07,;-5.27,-2.01,;-6.6,-2.81,;-6.04,-.68,;-4.47,-3.37,)| Show InChI InChI=1S/C19H15ClF3NO3/c1-24-15-4-2-10(19(21,22)23)8-13(15)17(12(6-7-25)18(24)27)14-9-11(20)3-5-16(14)26/h2-5,8-9,25-26H,6-7H2,1H3	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
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against Cytochrome P450 2C9				Bioorg Med Chem Lett 15: 4286-90 (2005) Article DOI: 10.1016/j.bmcl.2005.06.056 BindingDB Entry DOI: 10.7270/Q2K64HMR
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50241125 ((+)-4-(5-chloro-2-hydroxyphenyl)-3-(2-hydroxyethyl...) Show SMILES OCCc1c(-c2cc(Cl)ccc2O)c2cc(ccc2[nH]c1=O)C(F)(F)F |(2.78,.49,;1.44,1.26,;.11,.48,;-1.22,1.25,;-2.56,.47,;-2.56,-1.06,;-3.89,-1.83,;-3.89,-3.37,;-5.22,-4.14,;-2.55,-4.14,;-1.22,-3.36,;-1.23,-1.82,;.1,-1.05,;-3.89,1.24,;-5.23,.46,;-6.56,1.23,;-6.56,2.78,;-5.23,3.55,;-3.9,2.78,;-2.57,3.56,;-1.23,2.8,;.1,3.57,;-7.9,.46,;-9.24,-.3,;-7.13,-.87,;-8.66,1.8,)| Show InChI InChI=1S/C18H13ClF3NO3/c19-10-2-4-15(25)13(8-10)16-11(5-6-24)17(26)23-14-3-1-9(7-12(14)16)18(20,21)22/h1-4,7-8,24-25H,5-6H2,(H,23,26)	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	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition against Cytochrome P450 2C9 prepared from baculovirus-infected insect cells using 7-methoxy-4-trifluoromethylcoumarin				Bioorg Med Chem Lett 15: 4286-90 (2005) Article DOI: 10.1016/j.bmcl.2005.06.056 BindingDB Entry DOI: 10.7270/Q2K64HMR
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50241125 ((+)-4-(5-chloro-2-hydroxyphenyl)-3-(2-hydroxyethyl...) Show SMILES OCCc1c(-c2cc(Cl)ccc2O)c2cc(ccc2[nH]c1=O)C(F)(F)F |(2.78,.49,;1.44,1.26,;.11,.48,;-1.22,1.25,;-2.56,.47,;-2.56,-1.06,;-3.89,-1.83,;-3.89,-3.37,;-5.22,-4.14,;-2.55,-4.14,;-1.22,-3.36,;-1.23,-1.82,;.1,-1.05,;-3.89,1.24,;-5.23,.46,;-6.56,1.23,;-6.56,2.78,;-5.23,3.55,;-3.9,2.78,;-2.57,3.56,;-1.23,2.8,;.1,3.57,;-7.9,.46,;-9.24,-.3,;-7.13,-.87,;-8.66,1.8,)| Show InChI InChI=1S/C18H13ClF3NO3/c19-10-2-4-15(25)13(8-10)16-11(5-6-24)17(26)23-14-3-1-9(7-12(14)16)18(20,21)22/h1-4,7-8,24-25H,5-6H2,(H,23,26)	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	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition against Cytochrome P450 2C9				Bioorg Med Chem Lett 15: 4286-90 (2005) Article DOI: 10.1016/j.bmcl.2005.06.056 BindingDB Entry DOI: 10.7270/Q2K64HMR
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50171277 (CHEMBL195561 | [4-(5-Chloro-2-hydroxy-phenyl)-3-(2...) Show SMILES OCCc1c(-c2cc(Cl)ccc2O)c2cc(ccc2n(CC#N)c1=O)C(F)(F)F |(7.73,-9.48,;6.35,-8.8,;5.07,-9.64,;3.73,-8.89,;2.39,-9.66,;2.39,-11.21,;1.05,-11.98,;1.05,-13.52,;-.3,-14.31,;2.39,-14.29,;3.72,-13.52,;3.72,-11.98,;5.06,-11.18,;1.06,-8.89,;-.27,-9.66,;-1.61,-8.89,;-1.61,-7.35,;-.27,-6.58,;1.06,-7.35,;2.39,-6.58,;2.39,-5.04,;3.48,-3.94,;4.56,-2.85,;3.72,-7.35,;5.07,-6.58,;-2.96,-9.67,;-2.17,-11.02,;-4.31,-10.46,;-3.75,-8.33,)| Show InChI InChI=1S/C20H14ClF3N2O3/c21-12-2-4-17(28)15(10-12)18-13(5-8-27)19(29)26(7-6-25)16-3-1-11(9-14(16)18)20(22,23)24/h1-4,9-10,27-28H,5,7-8H2	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	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition against Cytochrome P450 2C9 prepared from baculovirus-infected insect cells using 7-methoxy-4-trifluoromethylcoumarin				Bioorg Med Chem Lett 15: 4286-90 (2005) Article DOI: 10.1016/j.bmcl.2005.06.056 BindingDB Entry DOI: 10.7270/Q2K64HMR
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50241125 ((+)-4-(5-chloro-2-hydroxyphenyl)-3-(2-hydroxyethyl...) Show SMILES OCCc1c(-c2cc(Cl)ccc2O)c2cc(ccc2[nH]c1=O)C(F)(F)F |(2.78,.49,;1.44,1.26,;.11,.48,;-1.22,1.25,;-2.56,.47,;-2.56,-1.06,;-3.89,-1.83,;-3.89,-3.37,;-5.22,-4.14,;-2.55,-4.14,;-1.22,-3.36,;-1.23,-1.82,;.1,-1.05,;-3.89,1.24,;-5.23,.46,;-6.56,1.23,;-6.56,2.78,;-5.23,3.55,;-3.9,2.78,;-2.57,3.56,;-1.23,2.8,;.1,3.57,;-7.9,.46,;-9.24,-.3,;-7.13,-.87,;-8.66,1.8,)| Show InChI InChI=1S/C18H13ClF3NO3/c19-10-2-4-15(25)13(8-10)16-11(5-6-24)17(26)23-14-3-1-9(7-12(14)16)18(20,21)22/h1-4,7-8,24-25H,5-6H2,(H,23,26)	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	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition against Cytochrome P450 2C19 prepared from baculovirus-infected insect cells using 3-cyano-7-ethoxycoumarin				Bioorg Med Chem Lett 15: 4286-90 (2005) Article DOI: 10.1016/j.bmcl.2005.06.056 BindingDB Entry DOI: 10.7270/Q2K64HMR
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50171284 (4-(5-Chloro-2-methoxy-phenyl)-3-(2-hydroxy-ethyl)-...) Show SMILES COc1ccc(Cl)cc1-c1c(CCO)c(=O)[nH]c2ccc(cc12)C(F)(F)F |(-6.18,-.51,;-4.82,.25,;-3.47,-.54,;-3.47,-2.08,;-2.14,-2.85,;-.81,-2.08,;.54,-2.85,;-.81,-.54,;-2.14,.23,;-2.14,1.77,;-.81,2.54,;.54,1.77,;.54,.23,;1.87,-.54,;-.81,4.08,;.54,4.85,;-2.14,4.85,;-3.47,4.08,;-4.8,4.85,;-6.14,4.08,;-6.14,2.54,;-4.8,1.77,;-3.47,2.54,;-7.48,1.77,;-8.84,.97,;-8.28,3.1,;-6.7,.41,)| Show InChI InChI=1S/C19H15ClF3NO3/c1-27-16-5-3-11(20)9-14(16)17-12(6-7-25)18(26)24-15-4-2-10(8-13(15)17)19(21,22)23/h2-5,8-9,25H,6-7H2,1H3,(H,24,26)	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	5.47E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against Cytochrome P450 2C9				Bioorg Med Chem Lett 15: 4286-90 (2005) Article DOI: 10.1016/j.bmcl.2005.06.056 BindingDB Entry DOI: 10.7270/Q2K64HMR
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50241125 ((+)-4-(5-chloro-2-hydroxyphenyl)-3-(2-hydroxyethyl...) Show SMILES OCCc1c(-c2cc(Cl)ccc2O)c2cc(ccc2[nH]c1=O)C(F)(F)F |(2.78,.49,;1.44,1.26,;.11,.48,;-1.22,1.25,;-2.56,.47,;-2.56,-1.06,;-3.89,-1.83,;-3.89,-3.37,;-5.22,-4.14,;-2.55,-4.14,;-1.22,-3.36,;-1.23,-1.82,;.1,-1.05,;-3.89,1.24,;-5.23,.46,;-6.56,1.23,;-6.56,2.78,;-5.23,3.55,;-3.9,2.78,;-2.57,3.56,;-1.23,2.8,;.1,3.57,;-7.9,.46,;-9.24,-.3,;-7.13,-.87,;-8.66,1.8,)| Show InChI InChI=1S/C18H13ClF3NO3/c19-10-2-4-15(25)13(8-10)16-11(5-6-24)17(26)23-14-3-1-9(7-12(14)16)18(20,21)22/h1-4,7-8,24-25H,5-6H2,(H,23,26)	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	8.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition against Cytochrome P450 3A4 prepared from baculovirus-infected insect cells using 7-benzyloxy-4-trifluoromethylcoumarin				Bioorg Med Chem Lett 15: 4286-90 (2005) Article DOI: 10.1016/j.bmcl.2005.06.056 BindingDB Entry DOI: 10.7270/Q2K64HMR
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50171282 (2-[4-(5-Chloro-2-hydroxy-phenyl)-3-(2-hydroxy-ethy...) Show SMILES NC(=O)Cn1c2ccc(cc2c(-c2cc(Cl)ccc2O)c(CCO)c1=O)C(F)(F)F |(2.02,-3.4,;.48,-3.26,;-.16,-1.85,;-.41,-4.52,;-.41,-6.06,;-1.74,-6.83,;-3.08,-6.06,;-4.41,-6.85,;-4.41,-8.37,;-3.08,-9.14,;-1.74,-8.37,;-.41,-9.14,;-.41,-10.7,;-1.74,-11.47,;-1.74,-13.02,;-3.1,-13.81,;-.41,-13.79,;.92,-13.02,;.92,-11.47,;2.22,-10.96,;.94,-8.37,;2.43,-8.77,;3.86,-8.25,;5.05,-9.24,;.93,-6.83,;2.27,-6.06,;-5.76,-9.17,;-7.1,-9.95,;-6.54,-7.81,;-4.97,-10.51,)| Show InChI InChI=1S/C20H16ClF3N2O4/c21-11-2-4-16(28)14(8-11)18-12(5-6-27)19(30)26(9-17(25)29)15-3-1-10(7-13(15)18)20(22,23)24/h1-4,7-8,27-28H,5-6,9H2,(H2,25,29)	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	8.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition against Cytochrome P450 2C19 prepared from baculovirus-infected insect cells using 3-cyano-7-ethoxycoumarin				Bioorg Med Chem Lett 15: 4286-90 (2005) Article DOI: 10.1016/j.bmcl.2005.06.056 BindingDB Entry DOI: 10.7270/Q2K64HMR
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50171280 (4-(5-Chloro-2-hydroxy-phenyl)-3-(2-hydroxy-ethyl)-...) Show SMILES OCCc1c(-c2cc(Cl)ccc2O)c2cc(ccc2n(Cc2nnn[nH]2)c1=O)C(F)(F)F |(10.1,-7.54,;8.94,-6.54,;7.49,-7.08,;6,-6.68,;4.65,-7.45,;4.65,-8.99,;3.32,-9.76,;3.32,-11.32,;1.97,-12.09,;4.65,-12.09,;5.98,-11.32,;5.98,-9.76,;7.28,-9.25,;3.32,-6.68,;1.99,-7.45,;.66,-6.68,;.66,-5.14,;1.99,-4.37,;3.32,-5.14,;4.65,-4.37,;4.67,-2.83,;6.02,-2.06,;7.42,-2.68,;8.45,-1.54,;7.7,-.22,;6.19,-.52,;6,-5.14,;7.33,-4.37,;-.69,-7.47,;-2.03,-8.24,;-1.47,-6.12,;.1,-8.8,)| Show InChI InChI=1S/C20H15ClF3N5O3/c21-11-2-4-16(31)14(8-11)18-12(5-6-30)19(32)29(9-17-25-27-28-26-17)15-3-1-10(7-13(15)18)20(22,23)24/h1-4,7-8,30-31H,5-6,9H2,(H,25,26,27,28)	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	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition against Cytochrome P450 2C19 prepared from baculovirus-infected insect cells using 3-cyano-7-ethoxycoumarin				Bioorg Med Chem Lett 15: 4286-90 (2005) Article DOI: 10.1016/j.bmcl.2005.06.056 BindingDB Entry DOI: 10.7270/Q2K64HMR
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50171278 (12-Chloro-2-trifluoromethyl-5,7-dihydro-9-oxa-5-az...) Show SMILES FC(F)(F)c1ccc2[nH]c(=O)c3CC(=O)Oc4ccc(Cl)cc4-c3c2c1 Show InChI InChI=1S/C18H9ClF3NO3/c19-9-2-4-14-11(6-9)16-10-5-8(18(20,21)22)1-3-13(10)23-17(25)12(16)7-15(24)26-14/h1-6H,7H2,(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	1.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against Cytochrome P450 2C9				Bioorg Med Chem Lett 15: 4286-90 (2005) Article DOI: 10.1016/j.bmcl.2005.06.056 BindingDB Entry DOI: 10.7270/Q2K64HMR
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50171280 (4-(5-Chloro-2-hydroxy-phenyl)-3-(2-hydroxy-ethyl)-...) Show SMILES OCCc1c(-c2cc(Cl)ccc2O)c2cc(ccc2n(Cc2nnn[nH]2)c1=O)C(F)(F)F |(10.1,-7.54,;8.94,-6.54,;7.49,-7.08,;6,-6.68,;4.65,-7.45,;4.65,-8.99,;3.32,-9.76,;3.32,-11.32,;1.97,-12.09,;4.65,-12.09,;5.98,-11.32,;5.98,-9.76,;7.28,-9.25,;3.32,-6.68,;1.99,-7.45,;.66,-6.68,;.66,-5.14,;1.99,-4.37,;3.32,-5.14,;4.65,-4.37,;4.67,-2.83,;6.02,-2.06,;7.42,-2.68,;8.45,-1.54,;7.7,-.22,;6.19,-.52,;6,-5.14,;7.33,-4.37,;-.69,-7.47,;-2.03,-8.24,;-1.47,-6.12,;.1,-8.8,)| Show InChI InChI=1S/C20H15ClF3N5O3/c21-11-2-4-16(31)14(8-11)18-12(5-6-30)19(32)29(9-17-25-27-28-26-17)15-3-1-10(7-13(15)18)20(22,23)24/h1-4,7-8,30-31H,5-6,9H2,(H,25,26,27,28)	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	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition against Cytochrome P450 3A4 prepared from baculovirus-infected insect cells using resorufin benzyl ether				Bioorg Med Chem Lett 15: 4286-90 (2005) Article DOI: 10.1016/j.bmcl.2005.06.056 BindingDB Entry DOI: 10.7270/Q2K64HMR
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50171277 (CHEMBL195561 | [4-(5-Chloro-2-hydroxy-phenyl)-3-(2...) Show SMILES OCCc1c(-c2cc(Cl)ccc2O)c2cc(ccc2n(CC#N)c1=O)C(F)(F)F |(7.73,-9.48,;6.35,-8.8,;5.07,-9.64,;3.73,-8.89,;2.39,-9.66,;2.39,-11.21,;1.05,-11.98,;1.05,-13.52,;-.3,-14.31,;2.39,-14.29,;3.72,-13.52,;3.72,-11.98,;5.06,-11.18,;1.06,-8.89,;-.27,-9.66,;-1.61,-8.89,;-1.61,-7.35,;-.27,-6.58,;1.06,-7.35,;2.39,-6.58,;2.39,-5.04,;3.48,-3.94,;4.56,-2.85,;3.72,-7.35,;5.07,-6.58,;-2.96,-9.67,;-2.17,-11.02,;-4.31,-10.46,;-3.75,-8.33,)| Show InChI InChI=1S/C20H14ClF3N2O3/c21-12-2-4-17(28)15(10-12)18-13(5-8-27)19(29)26(7-6-25)16-3-1-11(9-14(16)18)20(22,23)24/h1-4,9-10,27-28H,5,7-8H2	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+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition against Cytochrome P450 3A4 prepared from baculovirus-infected insect cells using 7-benzyloxy- 4-trifluoromethylcoumarin				Bioorg Med Chem Lett 15: 4286-90 (2005) Article DOI: 10.1016/j.bmcl.2005.06.056 BindingDB Entry DOI: 10.7270/Q2K64HMR
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50171282 (2-[4-(5-Chloro-2-hydroxy-phenyl)-3-(2-hydroxy-ethy...) Show SMILES NC(=O)Cn1c2ccc(cc2c(-c2cc(Cl)ccc2O)c(CCO)c1=O)C(F)(F)F |(2.02,-3.4,;.48,-3.26,;-.16,-1.85,;-.41,-4.52,;-.41,-6.06,;-1.74,-6.83,;-3.08,-6.06,;-4.41,-6.85,;-4.41,-8.37,;-3.08,-9.14,;-1.74,-8.37,;-.41,-9.14,;-.41,-10.7,;-1.74,-11.47,;-1.74,-13.02,;-3.1,-13.81,;-.41,-13.79,;.92,-13.02,;.92,-11.47,;2.22,-10.96,;.94,-8.37,;2.43,-8.77,;3.86,-8.25,;5.05,-9.24,;.93,-6.83,;2.27,-6.06,;-5.76,-9.17,;-7.1,-9.95,;-6.54,-7.81,;-4.97,-10.51,)| Show InChI InChI=1S/C20H16ClF3N2O4/c21-11-2-4-16(28)14(8-11)18-12(5-6-27)19(30)26(9-17(25)29)15-3-1-10(7-13(15)18)20(22,23)24/h1-4,7-8,27-28H,5-6,9H2,(H2,25,29)	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+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition against Cytochrome P450 2C9 prepared from baculovirus-infected insect cells using 7-methoxy-4-trifluoromethylcoumarin				Bioorg Med Chem Lett 15: 4286-90 (2005) Article DOI: 10.1016/j.bmcl.2005.06.056 BindingDB Entry DOI: 10.7270/Q2K64HMR
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50171277 (CHEMBL195561 | [4-(5-Chloro-2-hydroxy-phenyl)-3-(2...) Show SMILES OCCc1c(-c2cc(Cl)ccc2O)c2cc(ccc2n(CC#N)c1=O)C(F)(F)F |(7.73,-9.48,;6.35,-8.8,;5.07,-9.64,;3.73,-8.89,;2.39,-9.66,;2.39,-11.21,;1.05,-11.98,;1.05,-13.52,;-.3,-14.31,;2.39,-14.29,;3.72,-13.52,;3.72,-11.98,;5.06,-11.18,;1.06,-8.89,;-.27,-9.66,;-1.61,-8.89,;-1.61,-7.35,;-.27,-6.58,;1.06,-7.35,;2.39,-6.58,;2.39,-5.04,;3.48,-3.94,;4.56,-2.85,;3.72,-7.35,;5.07,-6.58,;-2.96,-9.67,;-2.17,-11.02,;-4.31,-10.46,;-3.75,-8.33,)| Show InChI InChI=1S/C20H14ClF3N2O3/c21-12-2-4-17(28)15(10-12)18-13(5-8-27)19(29)26(7-6-25)16-3-1-11(9-14(16)18)20(22,23)24/h1-4,9-10,27-28H,5,7-8H2	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+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition against Cytochrome P450 3A4 prepared from baculovirus-infected insect cells using resorufin benzyl ether				Bioorg Med Chem Lett 15: 4286-90 (2005) Article DOI: 10.1016/j.bmcl.2005.06.056 BindingDB Entry DOI: 10.7270/Q2K64HMR
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50171280 (4-(5-Chloro-2-hydroxy-phenyl)-3-(2-hydroxy-ethyl)-...) Show SMILES OCCc1c(-c2cc(Cl)ccc2O)c2cc(ccc2n(Cc2nnn[nH]2)c1=O)C(F)(F)F |(10.1,-7.54,;8.94,-6.54,;7.49,-7.08,;6,-6.68,;4.65,-7.45,;4.65,-8.99,;3.32,-9.76,;3.32,-11.32,;1.97,-12.09,;4.65,-12.09,;5.98,-11.32,;5.98,-9.76,;7.28,-9.25,;3.32,-6.68,;1.99,-7.45,;.66,-6.68,;.66,-5.14,;1.99,-4.37,;3.32,-5.14,;4.65,-4.37,;4.67,-2.83,;6.02,-2.06,;7.42,-2.68,;8.45,-1.54,;7.7,-.22,;6.19,-.52,;6,-5.14,;7.33,-4.37,;-.69,-7.47,;-2.03,-8.24,;-1.47,-6.12,;.1,-8.8,)| Show InChI InChI=1S/C20H15ClF3N5O3/c21-11-2-4-16(31)14(8-11)18-12(5-6-30)19(32)29(9-17-25-27-28-26-17)15-3-1-10(7-13(15)18)20(22,23)24/h1-4,7-8,30-31H,5-6,9H2,(H,25,26,27,28)	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	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition against Cytochrome P450 2C9 prepared from baculovirus-infected insect cells using 7-methoxy-4-trifluoromethylcoumarin				Bioorg Med Chem Lett 15: 4286-90 (2005) Article DOI: 10.1016/j.bmcl.2005.06.056 BindingDB Entry DOI: 10.7270/Q2K64HMR
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50171283 (2-Chloro-6-(2-oxo-propyl)-11-trifluoromethyl-6,8-d...) Show SMILES CC(=O)CC1Oc2ccc(Cl)cc2-c2c1c(=O)[nH]c1ccc(cc21)C(F)(F)F Show InChI InChI=1S/C20H13ClF3NO3/c1-9(26)6-16-18-17(13-8-11(21)3-5-15(13)28-16)12-7-10(20(22,23)24)2-4-14(12)25-19(18)27/h2-5,7-8,16H,6H2,1H3,(H,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.95E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against Cytochrome P450 2C9				Bioorg Med Chem Lett 15: 4286-90 (2005) Article DOI: 10.1016/j.bmcl.2005.06.056 BindingDB Entry DOI: 10.7270/Q2K64HMR
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50171277 (CHEMBL195561 | [4-(5-Chloro-2-hydroxy-phenyl)-3-(2...) Show SMILES OCCc1c(-c2cc(Cl)ccc2O)c2cc(ccc2n(CC#N)c1=O)C(F)(F)F |(7.73,-9.48,;6.35,-8.8,;5.07,-9.64,;3.73,-8.89,;2.39,-9.66,;2.39,-11.21,;1.05,-11.98,;1.05,-13.52,;-.3,-14.31,;2.39,-14.29,;3.72,-13.52,;3.72,-11.98,;5.06,-11.18,;1.06,-8.89,;-.27,-9.66,;-1.61,-8.89,;-1.61,-7.35,;-.27,-6.58,;1.06,-7.35,;2.39,-6.58,;2.39,-5.04,;3.48,-3.94,;4.56,-2.85,;3.72,-7.35,;5.07,-6.58,;-2.96,-9.67,;-2.17,-11.02,;-4.31,-10.46,;-3.75,-8.33,)| Show InChI InChI=1S/C20H14ClF3N2O3/c21-12-2-4-17(28)15(10-12)18-13(5-8-27)19(29)26(7-6-25)16-3-1-11(9-14(16)18)20(22,23)24/h1-4,9-10,27-28H,5,7-8H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition against Cytochrome P450 2D6 prepared from baculovirus-infected insect cells using 3-[2-(N,N-diethyl-N-methylamino)ethyl]-7- methoxy-4-meth...				Bioorg Med Chem Lett 15: 4286-90 (2005) Article DOI: 10.1016/j.bmcl.2005.06.056 BindingDB Entry DOI: 10.7270/Q2K64HMR
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50171277 (CHEMBL195561 | [4-(5-Chloro-2-hydroxy-phenyl)-3-(2...) Show SMILES OCCc1c(-c2cc(Cl)ccc2O)c2cc(ccc2n(CC#N)c1=O)C(F)(F)F |(7.73,-9.48,;6.35,-8.8,;5.07,-9.64,;3.73,-8.89,;2.39,-9.66,;2.39,-11.21,;1.05,-11.98,;1.05,-13.52,;-.3,-14.31,;2.39,-14.29,;3.72,-13.52,;3.72,-11.98,;5.06,-11.18,;1.06,-8.89,;-.27,-9.66,;-1.61,-8.89,;-1.61,-7.35,;-.27,-6.58,;1.06,-7.35,;2.39,-6.58,;2.39,-5.04,;3.48,-3.94,;4.56,-2.85,;3.72,-7.35,;5.07,-6.58,;-2.96,-9.67,;-2.17,-11.02,;-4.31,-10.46,;-3.75,-8.33,)| Show InChI InChI=1S/C20H14ClF3N2O3/c21-12-2-4-17(28)15(10-12)18-13(5-8-27)19(29)26(7-6-25)16-3-1-11(9-14(16)18)20(22,23)24/h1-4,9-10,27-28H,5,7-8H2	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+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition against Cytochrome P450 2C19 prepared from baculovirus-infected insect cells using 3-cyano-7-ethoxycoumarin				Bioorg Med Chem Lett 15: 4286-90 (2005) Article DOI: 10.1016/j.bmcl.2005.06.056 BindingDB Entry DOI: 10.7270/Q2K64HMR
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50171282 (2-[4-(5-Chloro-2-hydroxy-phenyl)-3-(2-hydroxy-ethy...) Show SMILES NC(=O)Cn1c2ccc(cc2c(-c2cc(Cl)ccc2O)c(CCO)c1=O)C(F)(F)F |(2.02,-3.4,;.48,-3.26,;-.16,-1.85,;-.41,-4.52,;-.41,-6.06,;-1.74,-6.83,;-3.08,-6.06,;-4.41,-6.85,;-4.41,-8.37,;-3.08,-9.14,;-1.74,-8.37,;-.41,-9.14,;-.41,-10.7,;-1.74,-11.47,;-1.74,-13.02,;-3.1,-13.81,;-.41,-13.79,;.92,-13.02,;.92,-11.47,;2.22,-10.96,;.94,-8.37,;2.43,-8.77,;3.86,-8.25,;5.05,-9.24,;.93,-6.83,;2.27,-6.06,;-5.76,-9.17,;-7.1,-9.95,;-6.54,-7.81,;-4.97,-10.51,)| Show InChI InChI=1S/C20H16ClF3N2O4/c21-11-2-4-16(28)14(8-11)18-12(5-6-27)19(30)26(9-17(25)29)15-3-1-10(7-13(15)18)20(22,23)24/h1-4,7-8,27-28H,5-6,9H2,(H2,25,29)	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+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition against Cytochrome P450 3A4 prepared from baculovirus-infected insect cells using 7-benzyloxy- 4-trifluoromethylcoumarin				Bioorg Med Chem Lett 15: 4286-90 (2005) Article DOI: 10.1016/j.bmcl.2005.06.056 BindingDB Entry DOI: 10.7270/Q2K64HMR
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50241125 ((+)-4-(5-chloro-2-hydroxyphenyl)-3-(2-hydroxyethyl...) Show SMILES OCCc1c(-c2cc(Cl)ccc2O)c2cc(ccc2[nH]c1=O)C(F)(F)F |(2.78,.49,;1.44,1.26,;.11,.48,;-1.22,1.25,;-2.56,.47,;-2.56,-1.06,;-3.89,-1.83,;-3.89,-3.37,;-5.22,-4.14,;-2.55,-4.14,;-1.22,-3.36,;-1.23,-1.82,;.1,-1.05,;-3.89,1.24,;-5.23,.46,;-6.56,1.23,;-6.56,2.78,;-5.23,3.55,;-3.9,2.78,;-2.57,3.56,;-1.23,2.8,;.1,3.57,;-7.9,.46,;-9.24,-.3,;-7.13,-.87,;-8.66,1.8,)| Show InChI InChI=1S/C18H13ClF3NO3/c19-10-2-4-15(25)13(8-10)16-11(5-6-24)17(26)23-14-3-1-9(7-12(14)16)18(20,21)22/h1-4,7-8,24-25H,5-6H2,(H,23,26)	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	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition against Cytochrome P450 1A2 prepared from baculovirus-infected insect cells using 3-cyano-7-ethoxycoumarin				Bioorg Med Chem Lett 15: 4286-90 (2005) Article DOI: 10.1016/j.bmcl.2005.06.056 BindingDB Entry DOI: 10.7270/Q2K64HMR
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50171280 (4-(5-Chloro-2-hydroxy-phenyl)-3-(2-hydroxy-ethyl)-...) Show SMILES OCCc1c(-c2cc(Cl)ccc2O)c2cc(ccc2n(Cc2nnn[nH]2)c1=O)C(F)(F)F |(10.1,-7.54,;8.94,-6.54,;7.49,-7.08,;6,-6.68,;4.65,-7.45,;4.65,-8.99,;3.32,-9.76,;3.32,-11.32,;1.97,-12.09,;4.65,-12.09,;5.98,-11.32,;5.98,-9.76,;7.28,-9.25,;3.32,-6.68,;1.99,-7.45,;.66,-6.68,;.66,-5.14,;1.99,-4.37,;3.32,-5.14,;4.65,-4.37,;4.67,-2.83,;6.02,-2.06,;7.42,-2.68,;8.45,-1.54,;7.7,-.22,;6.19,-.52,;6,-5.14,;7.33,-4.37,;-.69,-7.47,;-2.03,-8.24,;-1.47,-6.12,;.1,-8.8,)| Show InChI InChI=1S/C20H15ClF3N5O3/c21-11-2-4-16(31)14(8-11)18-12(5-6-30)19(32)29(9-17-25-27-28-26-17)15-3-1-10(7-13(15)18)20(22,23)24/h1-4,7-8,30-31H,5-6,9H2,(H,25,26,27,28)	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	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition against Cytochrome P450 3A4 prepared from baculovirus-infected insect cells using 7-benzyloxy- 4-trifluoromethylcoumarin				Bioorg Med Chem Lett 15: 4286-90 (2005) Article DOI: 10.1016/j.bmcl.2005.06.056 BindingDB Entry DOI: 10.7270/Q2K64HMR
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50241125 ((+)-4-(5-chloro-2-hydroxyphenyl)-3-(2-hydroxyethyl...) Show SMILES OCCc1c(-c2cc(Cl)ccc2O)c2cc(ccc2[nH]c1=O)C(F)(F)F |(2.78,.49,;1.44,1.26,;.11,.48,;-1.22,1.25,;-2.56,.47,;-2.56,-1.06,;-3.89,-1.83,;-3.89,-3.37,;-5.22,-4.14,;-2.55,-4.14,;-1.22,-3.36,;-1.23,-1.82,;.1,-1.05,;-3.89,1.24,;-5.23,.46,;-6.56,1.23,;-6.56,2.78,;-5.23,3.55,;-3.9,2.78,;-2.57,3.56,;-1.23,2.8,;.1,3.57,;-7.9,.46,;-9.24,-.3,;-7.13,-.87,;-8.66,1.8,)| Show InChI InChI=1S/C18H13ClF3NO3/c19-10-2-4-15(25)13(8-10)16-11(5-6-24)17(26)23-14-3-1-9(7-12(14)16)18(20,21)22/h1-4,7-8,24-25H,5-6H2,(H,23,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition against Cytochrome P450 2D6 prepared from baculovirus-infected insect cells using 3-[2-(N,N-diethyl-N-methylamino)ethyl]-7-methoxy-4-methy...				Bioorg Med Chem Lett 15: 4286-90 (2005) Article DOI: 10.1016/j.bmcl.2005.06.056 BindingDB Entry DOI: 10.7270/Q2K64HMR
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50171279 (4-(5-Chloro-2-hydroxy-phenyl)-3-[3-((S)-diethyl-am...) Show SMILES CCN(CC)C[C@H](O)CSc1c(-c2cc(Cl)ccc2O)c2cc(ccc2[nH]c1=O)C(F)(F)F |wD:6.6,(17.59,-3.79,;16.26,-3.02,;14.93,-3.8,;14.92,-5.34,;16.25,-6.11,;13.6,-3.03,;12.27,-3.81,;12.26,-5.35,;10.94,-3.04,;9.61,-3.81,;8.28,-3.04,;6.94,-3.81,;6.94,-5.37,;5.6,-6.14,;5.6,-7.68,;4.25,-8.47,;6.94,-8.45,;8.27,-7.68,;8.27,-6.14,;9.61,-5.35,;5.61,-3.04,;4.28,-3.81,;2.94,-3.04,;2.94,-1.52,;4.28,-.73,;5.61,-1.5,;6.94,-.73,;8.27,-1.5,;9.62,-.73,;1.59,-3.83,;.8,-2.48,;2.38,-5.18,;.24,-4.62,)| Show InChI InChI=1S/C23H24ClF3N2O3S/c1-3-29(4-2)11-15(30)12-33-21-20(17-10-14(24)6-8-19(17)31)16-9-13(23(25,26)27)5-7-18(16)28-22(21)32/h5-10,15,30-31H,3-4,11-12H2,1-2H3,(H,28,32)/t15-/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	3.77E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against Cytochrome P450 2C9				Bioorg Med Chem Lett 15: 4286-90 (2005) Article DOI: 10.1016/j.bmcl.2005.06.056 BindingDB Entry DOI: 10.7270/Q2K64HMR
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50171277 (CHEMBL195561 | [4-(5-Chloro-2-hydroxy-phenyl)-3-(2...) Show SMILES OCCc1c(-c2cc(Cl)ccc2O)c2cc(ccc2n(CC#N)c1=O)C(F)(F)F |(7.73,-9.48,;6.35,-8.8,;5.07,-9.64,;3.73,-8.89,;2.39,-9.66,;2.39,-11.21,;1.05,-11.98,;1.05,-13.52,;-.3,-14.31,;2.39,-14.29,;3.72,-13.52,;3.72,-11.98,;5.06,-11.18,;1.06,-8.89,;-.27,-9.66,;-1.61,-8.89,;-1.61,-7.35,;-.27,-6.58,;1.06,-7.35,;2.39,-6.58,;2.39,-5.04,;3.48,-3.94,;4.56,-2.85,;3.72,-7.35,;5.07,-6.58,;-2.96,-9.67,;-2.17,-11.02,;-4.31,-10.46,;-3.75,-8.33,)| Show InChI InChI=1S/C20H14ClF3N2O3/c21-12-2-4-17(28)15(10-12)18-13(5-8-27)19(29)26(7-6-25)16-3-1-11(9-14(16)18)20(22,23)24/h1-4,9-10,27-28H,5,7-8H2	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	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition against Cytochrome P450 1A2 prepared from baculovirus-infected insect cells using 3-cyano-7-ethoxycoumarin				Bioorg Med Chem Lett 15: 4286-90 (2005) Article DOI: 10.1016/j.bmcl.2005.06.056 BindingDB Entry DOI: 10.7270/Q2K64HMR
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50171282 (2-[4-(5-Chloro-2-hydroxy-phenyl)-3-(2-hydroxy-ethy...) Show SMILES NC(=O)Cn1c2ccc(cc2c(-c2cc(Cl)ccc2O)c(CCO)c1=O)C(F)(F)F |(2.02,-3.4,;.48,-3.26,;-.16,-1.85,;-.41,-4.52,;-.41,-6.06,;-1.74,-6.83,;-3.08,-6.06,;-4.41,-6.85,;-4.41,-8.37,;-3.08,-9.14,;-1.74,-8.37,;-.41,-9.14,;-.41,-10.7,;-1.74,-11.47,;-1.74,-13.02,;-3.1,-13.81,;-.41,-13.79,;.92,-13.02,;.92,-11.47,;2.22,-10.96,;.94,-8.37,;2.43,-8.77,;3.86,-8.25,;5.05,-9.24,;.93,-6.83,;2.27,-6.06,;-5.76,-9.17,;-7.1,-9.95,;-6.54,-7.81,;-4.97,-10.51,)| Show InChI InChI=1S/C20H16ClF3N2O4/c21-11-2-4-16(28)14(8-11)18-12(5-6-27)19(30)26(9-17(25)29)15-3-1-10(7-13(15)18)20(22,23)24/h1-4,7-8,27-28H,5-6,9H2,(H2,25,29)	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	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition against Cytochrome P450 3A4 prepared from baculovirus-infected insect cells using resorufin benzyl ether				Bioorg Med Chem Lett 15: 4286-90 (2005) Article DOI: 10.1016/j.bmcl.2005.06.056 BindingDB Entry DOI: 10.7270/Q2K64HMR
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50171276 (4-(5-Chloro-2-hydroxy-phenyl)-3-[3-((R)-diethyl-am...) Show SMILES CCN(CC)C[C@@H](O)CSc1c(-c2cc(Cl)ccc2O)c2cc(ccc2[nH]c1=O)C(F)(F)F |wU:6.6,(13.31,-7.37,;11.98,-6.59,;10.65,-7.37,;10.64,-8.92,;11.97,-9.69,;9.31,-6.6,;7.98,-7.37,;7.97,-8.92,;6.65,-6.6,;5.32,-7.39,;3.98,-6.62,;2.63,-7.39,;2.63,-8.94,;1.29,-9.71,;1.29,-11.25,;-.06,-12.05,;2.63,-12.03,;3.96,-11.25,;3.96,-9.71,;5.32,-8.92,;1.29,-6.62,;-.04,-7.39,;-1.37,-6.62,;-1.37,-5.07,;-.04,-4.3,;1.29,-5.07,;2.63,-4.3,;3.97,-5.07,;5.32,-4.3,;-2.73,-7.4,;-3.51,-6.06,;-1.93,-8.75,;-4.07,-8.19,)| Show InChI InChI=1S/C23H24ClF3N2O3S/c1-3-29(4-2)11-15(30)12-33-21-20(17-10-14(24)6-8-19(17)31)16-9-13(23(25,26)27)5-7-18(16)28-22(21)32/h5-10,15,30-31H,3-4,11-12H2,1-2H3,(H,28,32)/t15-/m1/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	5.07E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against Cytochrome P450 2C9				Bioorg Med Chem Lett 15: 4286-90 (2005) Article DOI: 10.1016/j.bmcl.2005.06.056 BindingDB Entry DOI: 10.7270/Q2K64HMR
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50171281 (1-(4-Benzyl-2-oxo-1,2-dihydro-quinolin-3-yl)-pyrid...) Show SMILES O=c1[nH]c2ccccc2c(Cc2ccccc2)c1-[n+]1ccccc1 Show InChI InChI=1S/C21H16N2O/c24-21-20(23-13-7-2-8-14-23)18(15-16-9-3-1-4-10-16)17-11-5-6-12-19(17)22-21/h1-14H,15H2/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against Cytochrome P450 2C9				Bioorg Med Chem Lett 15: 4286-90 (2005) Article DOI: 10.1016/j.bmcl.2005.06.056 BindingDB Entry DOI: 10.7270/Q2K64HMR
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50241125 ((+)-4-(5-chloro-2-hydroxyphenyl)-3-(2-hydroxyethyl...) Show SMILES OCCc1c(-c2cc(Cl)ccc2O)c2cc(ccc2[nH]c1=O)C(F)(F)F |(2.78,.49,;1.44,1.26,;.11,.48,;-1.22,1.25,;-2.56,.47,;-2.56,-1.06,;-3.89,-1.83,;-3.89,-3.37,;-5.22,-4.14,;-2.55,-4.14,;-1.22,-3.36,;-1.23,-1.82,;.1,-1.05,;-3.89,1.24,;-5.23,.46,;-6.56,1.23,;-6.56,2.78,;-5.23,3.55,;-3.9,2.78,;-2.57,3.56,;-1.23,2.8,;.1,3.57,;-7.9,.46,;-9.24,-.3,;-7.13,-.87,;-8.66,1.8,)| Show InChI InChI=1S/C18H13ClF3NO3/c19-10-2-4-15(25)13(8-10)16-11(5-6-24)17(26)23-14-3-1-9(7-12(14)16)18(20,21)22/h1-4,7-8,24-25H,5-6H2,(H,23,26)	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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition against Cytochrome P450 3A4 prepared from baculovirus-infected insect cells using resorufin benzylether				Bioorg Med Chem Lett 15: 4286-90 (2005) Article DOI: 10.1016/j.bmcl.2005.06.056 BindingDB Entry DOI: 10.7270/Q2K64HMR
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50171282 (2-[4-(5-Chloro-2-hydroxy-phenyl)-3-(2-hydroxy-ethy...) Show SMILES NC(=O)Cn1c2ccc(cc2c(-c2cc(Cl)ccc2O)c(CCO)c1=O)C(F)(F)F |(2.02,-3.4,;.48,-3.26,;-.16,-1.85,;-.41,-4.52,;-.41,-6.06,;-1.74,-6.83,;-3.08,-6.06,;-4.41,-6.85,;-4.41,-8.37,;-3.08,-9.14,;-1.74,-8.37,;-.41,-9.14,;-.41,-10.7,;-1.74,-11.47,;-1.74,-13.02,;-3.1,-13.81,;-.41,-13.79,;.92,-13.02,;.92,-11.47,;2.22,-10.96,;.94,-8.37,;2.43,-8.77,;3.86,-8.25,;5.05,-9.24,;.93,-6.83,;2.27,-6.06,;-5.76,-9.17,;-7.1,-9.95,;-6.54,-7.81,;-4.97,-10.51,)| Show InChI InChI=1S/C20H16ClF3N2O4/c21-11-2-4-16(28)14(8-11)18-12(5-6-27)19(30)26(9-17(25)29)15-3-1-10(7-13(15)18)20(22,23)24/h1-4,7-8,27-28H,5-6,9H2,(H2,25,29)	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+5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition against Cytochrome P450 1A2 prepared from baculovirus-infected insect cells using 3-cyano-7-ethoxycoumarin				Bioorg Med Chem Lett 15: 4286-90 (2005) Article DOI: 10.1016/j.bmcl.2005.06.056 BindingDB Entry DOI: 10.7270/Q2K64HMR
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50171280 (4-(5-Chloro-2-hydroxy-phenyl)-3-(2-hydroxy-ethyl)-...) Show SMILES OCCc1c(-c2cc(Cl)ccc2O)c2cc(ccc2n(Cc2nnn[nH]2)c1=O)C(F)(F)F |(10.1,-7.54,;8.94,-6.54,;7.49,-7.08,;6,-6.68,;4.65,-7.45,;4.65,-8.99,;3.32,-9.76,;3.32,-11.32,;1.97,-12.09,;4.65,-12.09,;5.98,-11.32,;5.98,-9.76,;7.28,-9.25,;3.32,-6.68,;1.99,-7.45,;.66,-6.68,;.66,-5.14,;1.99,-4.37,;3.32,-5.14,;4.65,-4.37,;4.67,-2.83,;6.02,-2.06,;7.42,-2.68,;8.45,-1.54,;7.7,-.22,;6.19,-.52,;6,-5.14,;7.33,-4.37,;-.69,-7.47,;-2.03,-8.24,;-1.47,-6.12,;.1,-8.8,)| Show InChI InChI=1S/C20H15ClF3N5O3/c21-11-2-4-16(31)14(8-11)18-12(5-6-30)19(32)29(9-17-25-27-28-26-17)15-3-1-10(7-13(15)18)20(22,23)24/h1-4,7-8,30-31H,5-6,9H2,(H,25,26,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition against Cytochrome P450 2D6 prepared from baculovirus-infected insect cells using 3-[2-(N,N-diethyl-N-methylamino)ethyl]-7- methoxy-4-meth...				Bioorg Med Chem Lett 15: 4286-90 (2005) Article DOI: 10.1016/j.bmcl.2005.06.056 BindingDB Entry DOI: 10.7270/Q2K64HMR
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50171282 (2-[4-(5-Chloro-2-hydroxy-phenyl)-3-(2-hydroxy-ethy...) Show SMILES NC(=O)Cn1c2ccc(cc2c(-c2cc(Cl)ccc2O)c(CCO)c1=O)C(F)(F)F |(2.02,-3.4,;.48,-3.26,;-.16,-1.85,;-.41,-4.52,;-.41,-6.06,;-1.74,-6.83,;-3.08,-6.06,;-4.41,-6.85,;-4.41,-8.37,;-3.08,-9.14,;-1.74,-8.37,;-.41,-9.14,;-.41,-10.7,;-1.74,-11.47,;-1.74,-13.02,;-3.1,-13.81,;-.41,-13.79,;.92,-13.02,;.92,-11.47,;2.22,-10.96,;.94,-8.37,;2.43,-8.77,;3.86,-8.25,;5.05,-9.24,;.93,-6.83,;2.27,-6.06,;-5.76,-9.17,;-7.1,-9.95,;-6.54,-7.81,;-4.97,-10.51,)| Show InChI InChI=1S/C20H16ClF3N2O4/c21-11-2-4-16(28)14(8-11)18-12(5-6-27)19(30)26(9-17(25)29)15-3-1-10(7-13(15)18)20(22,23)24/h1-4,7-8,27-28H,5-6,9H2,(H2,25,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition against Cytochrome P450 2D6 prepared from baculovirus-infected insect cells using 3-[2-(N,N-diethyl-N-methylamino)ethyl]-7- methoxy-4-meth...				Bioorg Med Chem Lett 15: 4286-90 (2005) Article DOI: 10.1016/j.bmcl.2005.06.056 BindingDB Entry DOI: 10.7270/Q2K64HMR
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50171280 (4-(5-Chloro-2-hydroxy-phenyl)-3-(2-hydroxy-ethyl)-...) Show SMILES OCCc1c(-c2cc(Cl)ccc2O)c2cc(ccc2n(Cc2nnn[nH]2)c1=O)C(F)(F)F |(10.1,-7.54,;8.94,-6.54,;7.49,-7.08,;6,-6.68,;4.65,-7.45,;4.65,-8.99,;3.32,-9.76,;3.32,-11.32,;1.97,-12.09,;4.65,-12.09,;5.98,-11.32,;5.98,-9.76,;7.28,-9.25,;3.32,-6.68,;1.99,-7.45,;.66,-6.68,;.66,-5.14,;1.99,-4.37,;3.32,-5.14,;4.65,-4.37,;4.67,-2.83,;6.02,-2.06,;7.42,-2.68,;8.45,-1.54,;7.7,-.22,;6.19,-.52,;6,-5.14,;7.33,-4.37,;-.69,-7.47,;-2.03,-8.24,;-1.47,-6.12,;.1,-8.8,)| Show InChI InChI=1S/C20H15ClF3N5O3/c21-11-2-4-16(31)14(8-11)18-12(5-6-30)19(32)29(9-17-25-27-28-26-17)15-3-1-10(7-13(15)18)20(22,23)24/h1-4,7-8,30-31H,5-6,9H2,(H,25,26,27,28)	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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition against Cytochrome P450 1A2 prepared from baculovirus-infected insect cells using 3-cyano-7-ethoxycoumarin				Bioorg Med Chem Lett 15: 4286-90 (2005) Article DOI: 10.1016/j.bmcl.2005.06.056 BindingDB Entry DOI: 10.7270/Q2K64HMR
					More data for this Ligand-Target Pair