Compile Data Set for Download or QSAR

Found 53 hits with Last Name = 'gribkoff' and Initial = 'vk'   

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
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50038163 ((6,7-Dichloro-2,3-dioxo-3,4-dihydro-2H-quinoxalin-...) Show SMILES OC(=O)Cn1c2cc(Cl)c(Cl)cc2[nH]c(=O)c1=O Show InChI InChI=1S/C10H6Cl2N2O4/c11-4-1-6-7(2-5(4)12)14(3-8(15)16)10(18)9(17)13-6/h1-2H,3H2,(H,13,17)(H,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity for glycine site-NMDA receptor was determined by the ability to displace [3H]glycine in rat cortical membranes				Bioorg Med Chem Lett 3: 2801-2804 (1993) Article DOI: 10.1016/S0960-894X(01)80768-X BindingDB Entry DOI: 10.7270/Q2Z89CWP
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50281275 ((6,7-Dimethyl-2,3-dioxo-3,4-dihydro-2H-quinoxalin-...) Show SMILES Cc1cc2[nH]c(=O)c(=O)n(CP(O)(O)=O)c2cc1C Show InChI InChI=1S/C11H13N2O5P/c1-6-3-8-9(4-7(6)2)13(5-19(16,17)18)11(15)10(14)12-8/h3-4H,5H2,1-2H3,(H,12,14)(H2,16,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	5.28E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity for glycine site-NMDA receptor was determined by the ability to displace [3H]glycine in rat cortical membranes				Bioorg Med Chem Lett 3: 2801-2804 (1993) Article DOI: 10.1016/S0960-894X(01)80768-X BindingDB Entry DOI: 10.7270/Q2Z89CWP
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50281273 ((6,7-Dimethyl-2,3-dioxo-3,4-dihydro-2H-quinoxalin-...) Show SMILES Cc1cc2[nH]c(=O)c(=O)n(CC(O)=O)c2cc1C Show InChI InChI=1S/C12H12N2O4/c1-6-3-8-9(4-7(6)2)14(5-10(15)16)12(18)11(17)13-8/h3-4H,5H2,1-2H3,(H,13,17)(H,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article	1.38E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity for glycine site-NMDA receptor was determined by the ability to displace [3H]glycine in rat cortical membranes				Bioorg Med Chem Lett 3: 2801-2804 (1993) Article DOI: 10.1016/S0960-894X(01)80768-X BindingDB Entry DOI: 10.7270/Q2Z89CWP
					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				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))	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))	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 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 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 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 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 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 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 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))	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
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 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 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
Potassium voltage-gated channel subfamily KQT member 2 (Mus musculus)	BDBM50442470 (CHEMBL401942) Show SMILES C[C@H](NC(=O)\C=C\c1ccccc1F)c1cccc(Oc2cccnc2)c1 Show InChI InChI=1S/C22H19FN2O2/c1-16(25-22(26)12-11-17-6-2-3-10-21(17)23)18-7-4-8-19(14-18)27-20-9-5-13-24-15-20/h2-16H,1H3,(H,25,26)/b12-11+/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.40	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Induction of mouse KCNQ2 expressed in HEK293 cells at -40 mV holding potential by whole-cell patch clamp assay				Bioorg Med Chem Lett 23: 6188-91 (2013) Article DOI: 10.1016/j.bmcl.2013.08.092 BindingDB Entry DOI: 10.7270/Q2F76F0Q
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 2 (Mus musculus)	BDBM50410081 (CHEMBL361184) Show SMILES C[C@H](NC(=O)\C=C\c1ccccc1F)c1cccc(c1)-c1ccc(F)nc1 Show InChI InChI=1S/C22H18F2N2O/c1-15(26-22(27)12-10-16-5-2-3-8-20(16)23)17-6-4-7-18(13-17)19-9-11-21(24)25-14-19/h2-15H,1H3,(H,26,27)/b12-10+/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Induction of mouse KCNQ2 expressed in HEK293 cells at -40 mV holding potential by whole-cell patch clamp assay				Bioorg Med Chem Lett 23: 6188-91 (2013) Article DOI: 10.1016/j.bmcl.2013.08.092 BindingDB Entry DOI: 10.7270/Q2F76F0Q
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 2 (Mus musculus)	BDBM50410077 (CHEMBL180886) Show SMILES C[C@H](NC(=O)\C=C\c1ccccc1Cl)c1ccc2OCOc2c1 Show InChI InChI=1S/C18H16ClNO3/c1-12(14-6-8-16-17(10-14)23-11-22-16)20-18(21)9-7-13-4-2-3-5-15(13)19/h2-10,12H,11H2,1H3,(H,20,21)/b9-7+/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	20	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Induction of mouse KCNQ2 expressed in HEK293 cells at -40 mV holding potential by whole-cell patch clamp assay				Bioorg Med Chem Lett 23: 6188-91 (2013) Article DOI: 10.1016/j.bmcl.2013.08.092 BindingDB Entry DOI: 10.7270/Q2F76F0Q
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 2 (Mus musculus)	BDBM50143560 ((E)-N-[(S)-1-(4-Cyclopropylmethyl-3,4-dihydro-2H-b...) Show SMILES C[C@H](NC(=O)\C=C\c1ccccc1F)c1ccc2OCCN(CC3CC3)c2c1 Show InChI InChI=1S/C23H25FN2O2/c1-16(25-23(27)11-9-18-4-2-3-5-20(18)24)19-8-10-22-21(14-19)26(12-13-28-22)15-17-6-7-17/h2-5,8-11,14,16-17H,6-7,12-13,15H2,1H3,(H,25,27)/b11-9+/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	60	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Induction of mouse KCNQ2 expressed in HEK293 cells at -40 mV holding potential by whole-cell patch clamp assay				Bioorg Med Chem Lett 23: 6188-91 (2013) Article DOI: 10.1016/j.bmcl.2013.08.092 BindingDB Entry DOI: 10.7270/Q2F76F0Q
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 2 (Mus musculus)	BDBM50143558 (CHEMBL41355 | EZOGABINE | N-(2-amino-4-(4-fluorobe...) Show SMILES CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)cc1N Show InChI InChI=1S/C16H18FN3O2/c1-2-22-16(21)20-15-8-7-13(9-14(15)18)19-10-11-3-5-12(17)6-4-11/h3-9,19H,2,10,18H2,1H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Induction of mouse KCNQ2 expressed in HEK293 cells at -40 mV holding potential by whole-cell patch clamp assay				Bioorg Med Chem Lett 23: 6188-91 (2013) Article DOI: 10.1016/j.bmcl.2013.08.092 BindingDB Entry DOI: 10.7270/Q2F76F0Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Potassium voltage-gated channel subfamily KQT member 2 (Mus musculus)	BDBM50130610 ((E)-N-[(S)-1-(3-Morpholin-4-yl-phenyl)-ethyl]-3-ph...) Show SMILES C[C@H](NC(=O)\C=C\c1ccccc1)c1cccc(c1)N1CCOCC1 Show InChI InChI=1S/C21H24N2O2/c1-17(22-21(24)11-10-18-6-3-2-4-7-18)19-8-5-9-20(16-19)23-12-14-25-15-13-23/h2-11,16-17H,12-15H2,1H3,(H,22,24)/b11-10+/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Induction of mouse KCNQ2 expressed in HEK293 cells at -40 mV holding potential by whole-cell patch clamp assay				Bioorg Med Chem Lett 23: 6188-91 (2013) Article DOI: 10.1016/j.bmcl.2013.08.092 BindingDB Entry DOI: 10.7270/Q2F76F0Q
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 2 (Mus musculus)	BDBM50442469 (CHEMBL2440362) Show SMILES C[C@@H](NC(=O)\C=C\c1ccccc1F)c1cccc(Oc2cccnc2)c1 |r| Show InChI InChI=1S/C22H19FN2O2/c1-16(25-22(26)12-11-17-6-2-3-10-21(17)23)18-7-4-8-19(14-18)27-20-9-5-13-24-15-20/h2-16H,1H3,(H,25,26)/b12-11+/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Induction of mouse KCNQ2 expressed in HEK293 cells at -40 mV holding potential by whole-cell patch clamp assay				Bioorg Med Chem Lett 23: 6188-91 (2013) Article DOI: 10.1016/j.bmcl.2013.08.092 BindingDB Entry DOI: 10.7270/Q2F76F0Q
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 2 (Mus musculus)	BDBM50442468 (CHEMBL2440364) Show SMILES C[C@@H](NC(=O)\C=C\c1cc(F)ccc1F)c1cccc(Oc2ccncc2)c1 |r| Show InChI InChI=1S/C22H18F2N2O2/c1-15(26-22(27)8-5-17-13-18(23)6-7-21(17)24)16-3-2-4-20(14-16)28-19-9-11-25-12-10-19/h2-15H,1H3,(H,26,27)/b8-5+/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Induction of mouse KCNQ2 expressed in HEK293 cells at -40 mV holding potential by whole-cell patch clamp assay				Bioorg Med Chem Lett 23: 6188-91 (2013) Article DOI: 10.1016/j.bmcl.2013.08.092 BindingDB Entry DOI: 10.7270/Q2F76F0Q
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 2 (Mus musculus)	BDBM50142346 (CHEMBL41078 | N-[4-(5-Chloro-2-hydroxy-benzyl)-2-o...) Show SMILES Oc1ccc(Cl)cc1Cc1c(NS(=O)(=O)C(F)(F)F)c(=O)[nH]c2ccc(cc12)C(F)(F)F Show InChI InChI=1S/C18H11ClF6N2O4S/c19-10-2-4-14(28)8(5-10)6-12-11-7-9(17(20,21)22)1-3-13(11)26-16(29)15(12)27-32(30,31)18(23,24)25/h1-5,7,27-28H,6H2,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	663	n/a	n/a	n/a	n/a
The Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Increased outward current at -40 mV mediated by mouse KCNQ2 channel expressed in Xenopus laevis oocytes				Bioorg Med Chem Lett 14: 1615-8 (2004) Article DOI: 10.1016/j.bmcl.2004.01.073 BindingDB Entry DOI: 10.7270/Q20V8C7Z
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 2 (Mus musculus)	BDBM50143561 ((E)-N-[(S)-1-(3,4-Dihydro-2H-benzo[1,4]oxazin-6-yl...) Show SMILES C[C@H](NC(=O)\C=C\c1ccccc1F)c1ccc2OCCNc2c1 Show InChI InChI=1S/C19H19FN2O2/c1-13(15-6-8-18-17(12-15)21-10-11-24-18)22-19(23)9-7-14-4-2-3-5-16(14)20/h2-9,12-13,21H,10-11H2,1H3,(H,22,23)/b9-7+/t13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Whole-cell patch-clamp on recombinant mouse KCNQ2 channels expressed in HEK 293 cells at -40 mV				Bioorg Med Chem Lett 14: 1991-5 (2004) Article DOI: 10.1016/j.bmcl.2004.01.069 BindingDB Entry DOI: 10.7270/Q2MG7NZ3
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 2 (Mus musculus)	BDBM50143559 ((E)-N-[1-((S)-4-Ethyl-3,4-dihydro-2H-benzo[1,4]oxa...) Show SMILES CCN1CCOc2ccc(cc12)[C@H](C)NC(=O)\C=C\c1ccccc1F Show InChI InChI=1S/C21H23FN2O2/c1-3-24-12-13-26-20-10-8-17(14-19(20)24)15(2)23-21(25)11-9-16-6-4-5-7-18(16)22/h4-11,14-15H,3,12-13H2,1-2H3,(H,23,25)/b11-9+/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	200	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Whole-cell patch-clamp on recombinant mouse KCNQ2 channels expressed in HEK 293 cells at -40 mV				Bioorg Med Chem Lett 14: 1991-5 (2004) Article DOI: 10.1016/j.bmcl.2004.01.069 BindingDB Entry DOI: 10.7270/Q2MG7NZ3
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 2 (Mus musculus)	BDBM50143560 ((E)-N-[(S)-1-(4-Cyclopropylmethyl-3,4-dihydro-2H-b...) Show SMILES C[C@H](NC(=O)\C=C\c1ccccc1F)c1ccc2OCCN(CC3CC3)c2c1 Show InChI InChI=1S/C23H25FN2O2/c1-16(25-23(27)11-9-18-4-2-3-5-20(18)24)19-8-10-22-21(14-19)26(12-13-28-22)15-17-6-7-17/h2-5,8-11,14,16-17H,6-7,12-13,15H2,1H3,(H,25,27)/b11-9+/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	60	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Whole-cell patch-clamp on recombinant mouse KCNQ2 channels expressed in HEK 293 cells at -40 mV				Bioorg Med Chem Lett 14: 1991-5 (2004) Article DOI: 10.1016/j.bmcl.2004.01.069 BindingDB Entry DOI: 10.7270/Q2MG7NZ3
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 2 (Mus musculus)	BDBM50143558 (CHEMBL41355 | EZOGABINE | N-(2-amino-4-(4-fluorobe...) Show SMILES CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)cc1N Show InChI InChI=1S/C16H18FN3O2/c1-2-22-16(21)20-15-8-7-13(9-14(15)18)19-10-11-3-5-12(17)6-4-11/h3-9,19H,2,10,18H2,1H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Whole-cell patch-clamp on recombinant mouse KCNQ2 channels expressed in HEK 293 cells at -40 mV				Bioorg Med Chem Lett 14: 1991-5 (2004) Article DOI: 10.1016/j.bmcl.2004.01.069 BindingDB Entry DOI: 10.7270/Q2MG7NZ3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Potassium voltage-gated channel subfamily KQT member 2 (Mus musculus)	BDBM50130610 ((E)-N-[(S)-1-(3-Morpholin-4-yl-phenyl)-ethyl]-3-ph...) Show SMILES C[C@H](NC(=O)\C=C\c1ccccc1)c1cccc(c1)N1CCOCC1 Show InChI InChI=1S/C21H24N2O2/c1-17(22-21(24)11-10-18-6-3-2-4-7-18)19-8-5-9-20(16-19)23-12-14-25-15-13-23/h2-11,16-17H,12-15H2,1H3,(H,22,24)/b11-10+/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	3.28E+3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Whole-cell patch-clamp on recombinant mouse KCNQ2 channels expressed in HEK 293 cells at -40 mV				Bioorg Med Chem Lett 14: 1991-5 (2004) Article DOI: 10.1016/j.bmcl.2004.01.069 BindingDB Entry DOI: 10.7270/Q2MG7NZ3
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 2 (Mus musculus)	BDBM50143557 ((E)-3-(2-Fluoro-phenyl)-N-[1-((S)-4-methyl-3,4-dih...) Show SMILES C[C@H](NC(=O)\C=C\c1ccccc1F)c1ccc2OCCN(C)c2c1 Show InChI InChI=1S/C20H21FN2O2/c1-14(16-7-9-19-18(13-16)23(2)11-12-25-19)22-20(24)10-8-15-5-3-4-6-17(15)21/h3-10,13-14H,11-12H2,1-2H3,(H,22,24)/b10-8+/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	940	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Whole-cell patch-clamp on recombinant mouse KCNQ2 channels expressed in HEK 293 cells at -40 mV				Bioorg Med Chem Lett 14: 1991-5 (2004) Article DOI: 10.1016/j.bmcl.2004.01.069 BindingDB Entry DOI: 10.7270/Q2MG7NZ3
					More data for this Ligand-Target Pair

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