Compile Data Set for Download or QSAR

Found 44 hits Enz. Inhib. hit(s) with all data for entry = 50039344   

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
Transient receptor potential M8 protein (Canis lupus familiaris (Dog))	BDBM50335165 (3-[2-(1-Oxa-2-aza-spiro[4.5]dec-2-en-3-yl)-6-(2-tr...) Show SMILES OCCCc1cc(cc2[nH]c(nc12)C1=NOC2(C1)CCCCC2)-c1ccccc1C(F)(F)F |t:15| Show InChI InChI=1S/C25H26F3N3O2/c26-25(27,28)19-9-3-2-8-18(19)17-13-16(7-6-12-32)22-20(14-17)29-23(30-22)21-15-24(33-31-21)10-4-1-5-11-24/h2-3,8-9,13-14,32H,1,4-7,10-12,15H2,(H,29,30)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Antagonist activity at canine TRPM8 expressed in HEK293 cells assessed as inhibition of intracellular calcium accumulation by FLIPR assay				J Med Chem 54: 233-47 (2011) Article DOI: 10.1021/jm101075v BindingDB Entry DOI: 10.7270/Q20C4WRJ
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (Homo sapiens (Human))	BDBM50335157 (3-[7-Trifluoromethyl-5-(2-trifluoromethyl-phenyl)-...) Show SMILES FC(F)(F)c1ccccc1-c1cc(c2[nH]c(nc2c1)C1=NOC2(C1)CCCCC2)C(F)(F)F |t:22| Show InChI InChI=1S/C23H19F6N3O/c24-22(25,26)15-7-3-2-6-14(15)13-10-16(23(27,28)29)19-17(11-13)30-20(31-19)18-12-21(33-32-18)8-4-1-5-9-21/h2-3,6-7,10-11H,1,4-5,8-9,12H2,(H,30,31)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	0.413	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inhibition of human TRPM8 expressed in HEK293 cells assessed as inhibition of cold-induced channel current by whole cell electrophysiology				J Med Chem 54: 233-47 (2011) Article DOI: 10.1021/jm101075v BindingDB Entry DOI: 10.7270/Q20C4WRJ
					More data for this Ligand-Target Pair
Transient receptor potential M8 protein (Canis lupus familiaris (Dog))	BDBM50335170 (3-[5-(2-Fluoro-6-trifluoromethylphenyl)-1H-benzimi...) Show SMILES Fc1cccc(c1-c1ccc2nc([nH]c2c1)C1=NOC2(C1)CCCCC2)C(F)(F)F |t:19| Show InChI InChI=1S/C22H19F4N3O/c23-15-6-4-5-14(22(24,25)26)19(15)13-7-8-16-17(11-13)28-20(27-16)18-12-21(30-29-18)9-2-1-3-10-21/h4-8,11H,1-3,9-10,12H2,(H,27,28)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Antagonist activity at canine TRPM8 expressed in HEK293 cells assessed as inhibition of intracellular calcium accumulation by FLIPR assay				J Med Chem 54: 233-47 (2011) Article DOI: 10.1021/jm101075v BindingDB Entry DOI: 10.7270/Q20C4WRJ
					More data for this Ligand-Target Pair
Transient receptor potential M8 protein (Canis lupus familiaris (Dog))	BDBM50335160 (2-(1-Oxa-2-aza-spiro[4.5]dec-2-en-3-yl)-6-(2-trifl...) Show SMILES FC(F)(F)c1ccccc1-c1cc(C#N)c2[nH]c(nc2c1)C1=NOC2(C1)CCCCC2 |t:24| Show InChI InChI=1S/C23H19F3N4O/c24-23(25,26)17-7-3-2-6-16(17)14-10-15(13-27)20-18(11-14)28-21(29-20)19-12-22(31-30-19)8-4-1-5-9-22/h2-3,6-7,10-11H,1,4-5,8-9,12H2,(H,28,29)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Antagonist activity at canine TRPM8 expressed in HEK293 cells assessed as inhibition of intracellular calcium accumulation by FLIPR assay				J Med Chem 54: 233-47 (2011) Article DOI: 10.1021/jm101075v BindingDB Entry DOI: 10.7270/Q20C4WRJ
					More data for this Ligand-Target Pair
Transient receptor potential M8 protein (Canis lupus familiaris (Dog))	BDBM50335157 (3-[7-Trifluoromethyl-5-(2-trifluoromethyl-phenyl)-...) Show SMILES FC(F)(F)c1ccccc1-c1cc(c2[nH]c(nc2c1)C1=NOC2(C1)CCCCC2)C(F)(F)F |t:22| Show InChI InChI=1S/C23H19F6N3O/c24-22(25,26)15-7-3-2-6-14(15)13-10-16(23(27,28)29)19-17(11-13)30-20(31-19)18-12-21(33-32-18)8-4-1-5-9-21/h2-3,6-7,10-11H,1,4-5,8-9,12H2,(H,30,31)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Antagonist activity at canine TRPM8 expressed in HEK293 cells assessed as inhibition of intracellular calcium accumulation by FLIPR assay				J Med Chem 54: 233-47 (2011) Article DOI: 10.1021/jm101075v BindingDB Entry DOI: 10.7270/Q20C4WRJ
					More data for this Ligand-Target Pair
Transient receptor potential M8 protein (Canis lupus familiaris (Dog))	BDBM50335171 (3-[5-(2-Fluoro-6-trifluoromethoxyphenyl)-1H-benzim...) Show SMILES Fc1cccc(OC(F)(F)F)c1-c1ccc2nc([nH]c2c1)C1=NOC2(C1)CCCCC2 |t:24| Show InChI InChI=1S/C22H19F4N3O2/c23-14-5-4-6-18(30-22(24,25)26)19(14)13-7-8-15-16(11-13)28-20(27-15)17-12-21(31-29-17)9-2-1-3-10-21/h4-8,11H,1-3,9-10,12H2,(H,27,28)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Antagonist activity at canine TRPM8 expressed in HEK293 cells assessed as inhibition of intracellular calcium accumulation by FLIPR assay				J Med Chem 54: 233-47 (2011) Article DOI: 10.1021/jm101075v BindingDB Entry DOI: 10.7270/Q20C4WRJ
					More data for this Ligand-Target Pair
Transient receptor potential M8 protein (Canis lupus familiaris (Dog))	BDBM50335173 (8,8-Difluoro-3-[5-(2-trifluoromethylphenyl)-1H-ben...) Show SMILES FC(F)(F)c1ccccc1-c1ccc2nc([nH]c2c1)C1=NOC2(C1)CCC(F)(F)CC2 |t:22| Show InChI InChI=1S/C22H18F5N3O/c23-21(24)9-7-20(8-10-21)12-18(30-31-20)19-28-16-6-5-13(11-17(16)29-19)14-3-1-2-4-15(14)22(25,26)27/h1-6,11H,7-10,12H2,(H,28,29)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Antagonist activity at canine TRPM8 expressed in HEK293 cells assessed as inhibition of intracellular calcium accumulation by FLIPR assay				J Med Chem 54: 233-47 (2011) Article DOI: 10.1021/jm101075v BindingDB Entry DOI: 10.7270/Q20C4WRJ
					More data for this Ligand-Target Pair
Transient receptor potential M8 protein (Canis lupus familiaris (Dog))	BDBM50335164 (3-[5-(2-Chlorophenyl)-7-trifluoromethyl-1H-benzimi...) Show SMILES FC(F)(F)c1cc(cc2nc([nH]c12)C1=NOC2(C1)CCCCC2)-c1ccccc1Cl |t:15| Show InChI InChI=1S/C22H19ClF3N3O/c23-16-7-3-2-6-14(16)13-10-15(22(24,25)26)19-17(11-13)27-20(28-19)18-12-21(30-29-18)8-4-1-5-9-21/h2-3,6-7,10-11H,1,4-5,8-9,12H2,(H,27,28)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Antagonist activity at canine TRPM8 expressed in HEK293 cells assessed as inhibition of intracellular calcium accumulation by FLIPR assay				J Med Chem 54: 233-47 (2011) Article DOI: 10.1021/jm101075v BindingDB Entry DOI: 10.7270/Q20C4WRJ
					More data for this Ligand-Target Pair
Transient receptor potential M8 protein (Canis lupus familiaris (Dog))	BDBM50335154 (3-[5-(2-Trifluoromethoxyphenyl)-1H-benzimidazol-2-...) Show SMILES FC(F)(F)Oc1ccccc1-c1ccc2nc([nH]c2c1)C1=NOC2(C1)CCCCC2 |t:23| Show InChI InChI=1S/C22H20F3N3O2/c23-22(24,25)29-19-7-3-2-6-15(19)14-8-9-16-17(12-14)27-20(26-16)18-13-21(30-28-18)10-4-1-5-11-21/h2-3,6-9,12H,1,4-5,10-11,13H2,(H,26,27)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Antagonist activity at canine TRPM8 expressed in HEK293 cells assessed as inhibition of intracellular calcium accumulation by FLIPR assay				J Med Chem 54: 233-47 (2011) Article DOI: 10.1021/jm101075v BindingDB Entry DOI: 10.7270/Q20C4WRJ
					More data for this Ligand-Target Pair
Transient receptor potential M8 protein (Canis lupus familiaris (Dog))	BDBM50335163 (3-[5-(2-Trifluoromethoxyphenyl)-7-trifluoromethyl-...) Show SMILES FC(F)(F)Oc1ccccc1-c1cc(c2[nH]c(nc2c1)C1=NOC2(C1)CCCCC2)C(F)(F)F |t:23| Show InChI InChI=1S/C23H19F6N3O2/c24-22(25,26)15-10-13(14-6-2-3-7-18(14)33-23(27,28)29)11-16-19(15)31-20(30-16)17-12-21(34-32-17)8-4-1-5-9-21/h2-3,6-7,10-11H,1,4-5,8-9,12H2,(H,30,31)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Antagonist activity at canine TRPM8 expressed in HEK293 cells assessed as inhibition of intracellular calcium accumulation by FLIPR assay				J Med Chem 54: 233-47 (2011) Article DOI: 10.1021/jm101075v BindingDB Entry DOI: 10.7270/Q20C4WRJ
					More data for this Ligand-Target Pair
Transient receptor potential M8 protein (Canis lupus familiaris (Dog))	BDBM50335174 (3-[7-Trifluoromethyl-5-(2-trifluoromethylphenyl)-1...) Show SMILES FC(F)(F)c1ccccc1-c1cc(c2[nH]c(nc2c1)C1=NOC2(C1)CCOCC2)C(F)(F)F |t:22| Show InChI InChI=1S/C22H17F6N3O2/c23-21(24,25)14-4-2-1-3-13(14)12-9-15(22(26,27)28)18-16(10-12)29-19(30-18)17-11-20(33-31-17)5-7-32-8-6-20/h1-4,9-10H,5-8,11H2,(H,29,30)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Antagonist activity at canine TRPM8 expressed in HEK293 cells assessed as inhibition of intracellular calcium accumulation by FLIPR assay				J Med Chem 54: 233-47 (2011) Article DOI: 10.1021/jm101075v BindingDB Entry DOI: 10.7270/Q20C4WRJ
					More data for this Ligand-Target Pair
Transient receptor potential M8 protein (Canis lupus familiaris (Dog))	BDBM50335162 (3-[5-(2-Fluorophenyl)-7-trifluoromethyl-1H-benzimi...) Show SMILES Fc1ccccc1-c1cc(c2[nH]c(nc2c1)C1=NOC2(C1)CCCCC2)C(F)(F)F |t:19| Show InChI InChI=1S/C22H19F4N3O/c23-16-7-3-2-6-14(16)13-10-15(22(24,25)26)19-17(11-13)27-20(28-19)18-12-21(30-29-18)8-4-1-5-9-21/h2-3,6-7,10-11H,1,4-5,8-9,12H2,(H,27,28)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Antagonist activity at canine TRPM8 expressed in HEK293 cells assessed as inhibition of intracellular calcium accumulation by FLIPR assay				J Med Chem 54: 233-47 (2011) Article DOI: 10.1021/jm101075v BindingDB Entry DOI: 10.7270/Q20C4WRJ
					More data for this Ligand-Target Pair
Transient receptor potential M8 protein (Canis lupus familiaris (Dog))	BDBM50335158 (3-[7-Fluoro-5-(2-trifluoromethylphenyl)-1H-benzimi...) Show SMILES Fc1cc(cc2[nH]c(nc12)C1=NOC2(C1)CCCCC2)-c1ccccc1C(F)(F)F |t:12| Show InChI InChI=1S/C22H19F4N3O/c23-16-10-13(14-6-2-3-7-15(14)22(24,25)26)11-17-19(16)28-20(27-17)18-12-21(30-29-18)8-4-1-5-9-21/h2-3,6-7,10-11H,1,4-5,8-9,12H2,(H,27,28)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Antagonist activity at canine TRPM8 expressed in HEK293 cells assessed as inhibition of intracellular calcium accumulation by FLIPR assay				J Med Chem 54: 233-47 (2011) Article DOI: 10.1021/jm101075v BindingDB Entry DOI: 10.7270/Q20C4WRJ
					More data for this Ligand-Target Pair
Transient receptor potential M8 protein (Canis lupus familiaris (Dog))	BDBM50335169 (3-[5-(2,6-Difluorophenyl)-1H-benzimidazol-2-yl]-1-...) Show SMILES Fc1cccc(F)c1-c1ccc2nc([nH]c2c1)C1=NOC2(C1)CCCCC2 |t:20| Show InChI InChI=1S/C21H19F2N3O/c22-14-5-4-6-15(23)19(14)13-7-8-16-17(11-13)25-20(24-16)18-12-21(27-26-18)9-2-1-3-10-21/h4-8,11H,1-3,9-10,12H2,(H,24,25)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Antagonist activity at canine TRPM8 expressed in HEK293 cells assessed as inhibition of intracellular calcium accumulation by FLIPR assay				J Med Chem 54: 233-47 (2011) Article DOI: 10.1021/jm101075v BindingDB Entry DOI: 10.7270/Q20C4WRJ
					More data for this Ligand-Target Pair
Transient receptor potential M8 protein (Canis lupus familiaris (Dog))	BDBM50335151 (3-[5-(2-Chlorophenyl)-1H-benzimidazol-2-yl]-1-oxa-...) Show SMILES Clc1ccccc1-c1ccc2nc([nH]c2c1)C1=NOC2(C1)CCCCC2 |t:19| Show InChI InChI=1S/C21H20ClN3O/c22-16-7-3-2-6-15(16)14-8-9-17-18(12-14)24-20(23-17)19-13-21(26-25-19)10-4-1-5-11-21/h2-3,6-9,12H,1,4-5,10-11,13H2,(H,23,24)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Antagonist activity at canine TRPM8 expressed in HEK293 cells assessed as inhibition of intracellular calcium accumulation by FLIPR assay				J Med Chem 54: 233-47 (2011) Article DOI: 10.1021/jm101075v BindingDB Entry DOI: 10.7270/Q20C4WRJ
					More data for this Ligand-Target Pair
Transient receptor potential M8 protein (Canis lupus familiaris (Dog))	BDBM50335153 (3-[5-(2-Difluoromethoxyphenyl)-1H-benzimidazol-2-y...) Show SMILES FC(F)Oc1ccccc1-c1ccc2nc([nH]c2c1)C1=NOC2(C1)CCCCC2 |t:22| Show InChI InChI=1S/C22H21F2N3O2/c23-21(24)28-19-7-3-2-6-15(19)14-8-9-16-17(12-14)26-20(25-16)18-13-22(29-27-18)10-4-1-5-11-22/h2-3,6-9,12,21H,1,4-5,10-11,13H2,(H,25,26)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Antagonist activity at canine TRPM8 expressed in HEK293 cells assessed as inhibition of intracellular calcium accumulation by FLIPR assay				J Med Chem 54: 233-47 (2011) Article DOI: 10.1021/jm101075v BindingDB Entry DOI: 10.7270/Q20C4WRJ
					More data for this Ligand-Target Pair
Transient receptor potential M8 protein (Canis lupus familiaris (Dog))	BDBM50335161 (3-[7-Bromo-5-(2-trifluoromethylphenyl)-1H-benzimid...) Show SMILES FC(F)(F)c1ccccc1-c1cc(Br)c2[nH]c(nc2c1)C1=NOC2(C1)CCCCC2 |t:23| Show InChI InChI=1S/C22H19BrF3N3O/c23-16-10-13(14-6-2-3-7-15(14)22(24,25)26)11-17-19(16)28-20(27-17)18-12-21(30-29-18)8-4-1-5-9-21/h2-3,6-7,10-11H,1,4-5,8-9,12H2,(H,27,28)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Antagonist activity at canine TRPM8 expressed in HEK293 cells assessed as inhibition of intracellular calcium accumulation by FLIPR assay				J Med Chem 54: 233-47 (2011) Article DOI: 10.1021/jm101075v BindingDB Entry DOI: 10.7270/Q20C4WRJ
					More data for this Ligand-Target Pair
Transient receptor potential M8 protein (Canis lupus familiaris (Dog))	BDBM50335155 (3-[5-(2-Fluorophenyl)-1H-benzimidazol-2-yl]-1-oxa-...) Show SMILES Fc1ccccc1-c1ccc2nc([nH]c2c1)C1=NOC2(C1)CCCCC2 |t:19| Show InChI InChI=1S/C21H20FN3O/c22-16-7-3-2-6-15(16)14-8-9-17-18(12-14)24-20(23-17)19-13-21(26-25-19)10-4-1-5-11-21/h2-3,6-9,12H,1,4-5,10-11,13H2,(H,23,24)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Antagonist activity at canine TRPM8 expressed in HEK293 cells assessed as inhibition of intracellular calcium accumulation by FLIPR assay				J Med Chem 54: 233-47 (2011) Article DOI: 10.1021/jm101075v BindingDB Entry DOI: 10.7270/Q20C4WRJ
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (Homo sapiens (Human))	BDBM50335157 (3-[7-Trifluoromethyl-5-(2-trifluoromethyl-phenyl)-...) Show SMILES FC(F)(F)c1ccccc1-c1cc(c2[nH]c(nc2c1)C1=NOC2(C1)CCCCC2)C(F)(F)F |t:22| Show InChI InChI=1S/C23H19F6N3O/c24-22(25,26)15-7-3-2-6-14(15)13-10-16(23(27,28)29)19-17(11-13)30-20(31-19)18-12-21(33-32-18)8-4-1-5-9-21/h2-3,6-7,10-11H,1,4-5,8-9,12H2,(H,30,31)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Antagonist activity at human TRPM8 expressed in HEK293 cells assessed as inhibition of intracellular calcium accumulation at 0.2 uM by FLIPR assay				J Med Chem 54: 233-47 (2011) Article DOI: 10.1021/jm101075v BindingDB Entry DOI: 10.7270/Q20C4WRJ
					More data for this Ligand-Target Pair
Transient receptor potential M8 protein (Canis lupus familiaris (Dog))	BDBM50335156 (3-[5-(2-Trifluoromethyl-phenyl)-1H-benzimidazol-2-...) Show SMILES FC(F)(F)c1ccccc1-c1ccc2nc([nH]c2c1)C1=NOC2(C1)CCCCC2 |t:22| Show InChI InChI=1S/C22H20F3N3O/c23-22(24,25)16-7-3-2-6-15(16)14-8-9-17-18(12-14)27-20(26-17)19-13-21(29-28-19)10-4-1-5-11-21/h2-3,6-9,12H,1,4-5,10-11,13H2,(H,26,27)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Antagonist activity at canine TRPM8 expressed in HEK293 cells assessed as inhibition of intracellular calcium accumulation by FLIPR assay				J Med Chem 54: 233-47 (2011) Article DOI: 10.1021/jm101075v BindingDB Entry DOI: 10.7270/Q20C4WRJ
					More data for this Ligand-Target Pair
Transient receptor potential M8 protein (Canis lupus familiaris (Dog))	BDBM50335159 (3-[7-Chloro-5-(2-trifluoromethylphenyl)-1H-benzimi...) Show SMILES FC(F)(F)c1ccccc1-c1cc(Cl)c2[nH]c(nc2c1)C1=NOC2(C1)CCCCC2 |t:23| Show InChI InChI=1S/C22H19ClF3N3O/c23-16-10-13(14-6-2-3-7-15(14)22(24,25)26)11-17-19(16)28-20(27-17)18-12-21(30-29-18)8-4-1-5-9-21/h2-3,6-7,10-11H,1,4-5,8-9,12H2,(H,27,28)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Antagonist activity at canine TRPM8 expressed in HEK293 cells assessed as inhibition of intracellular calcium accumulation by FLIPR assay				J Med Chem 54: 233-47 (2011) Article DOI: 10.1021/jm101075v BindingDB Entry DOI: 10.7270/Q20C4WRJ
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (Rattus norvegicus (Rat))	BDBM50335157 (3-[7-Trifluoromethyl-5-(2-trifluoromethyl-phenyl)-...) Show SMILES FC(F)(F)c1ccccc1-c1cc(c2[nH]c(nc2c1)C1=NOC2(C1)CCCCC2)C(F)(F)F |t:22| Show InChI InChI=1S/C23H19F6N3O/c24-22(25,26)15-7-3-2-6-14(15)13-10-16(23(27,28)29)19-17(11-13)30-20(31-19)18-12-21(33-32-18)8-4-1-5-9-21/h2-3,6-7,10-11H,1,4-5,8-9,12H2,(H,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Antagonist activity at rat TRPM8 expressed in HEK293 cells assessed as inhibition of intracellular calcium accumulation at 0.2 uM by FLIPR assay				J Med Chem 54: 233-47 (2011) Article DOI: 10.1021/jm101075v BindingDB Entry DOI: 10.7270/Q20C4WRJ
					More data for this Ligand-Target Pair
Transient receptor potential M8 protein (Canis lupus familiaris (Dog))	BDBM50335175 (3-[7-Chloro-5-(2-trifluoromethyl-phenyl)-1H-benzim...) Show SMILES FC(F)(F)c1ccccc1-c1cc(Cl)c2[nH]c(nc2c1)C1=NOC2(C1)CCOCC2 |t:23| Show InChI InChI=1S/C21H17ClF3N3O2/c22-15-9-12(13-3-1-2-4-14(13)21(23,24)25)10-16-18(15)27-19(26-16)17-11-20(30-28-17)5-7-29-8-6-20/h1-4,9-10H,5-8,11H2,(H,26,27)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Antagonist activity at canine TRPM8 expressed in HEK293 cells assessed as inhibition of intracellular calcium accumulation by FLIPR assay				J Med Chem 54: 233-47 (2011) Article DOI: 10.1021/jm101075v BindingDB Entry DOI: 10.7270/Q20C4WRJ
					More data for this Ligand-Target Pair
Transient receptor potential M8 protein (Canis lupus familiaris (Dog))	BDBM50335166 (2-(5-(2-(Trifluoromethyl)phenyl)-1H-benzo[d]imidaz...) Show SMILES FC(F)(F)c1ccccc1-c1ccc2nc([nH]c2c1)C1=NC2(CO1)CCCCC2 |t:22| Show InChI InChI=1S/C22H20F3N3O/c23-22(24,25)16-7-3-2-6-15(16)14-8-9-17-18(12-14)27-19(26-17)20-28-21(13-29-20)10-4-1-5-11-21/h2-3,6-9,12H,1,4-5,10-11,13H2,(H,26,27)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Antagonist activity at canine TRPM8 expressed in HEK293 cells assessed as inhibition of intracellular calcium accumulation by FLIPR assay				J Med Chem 54: 233-47 (2011) Article DOI: 10.1021/jm101075v BindingDB Entry DOI: 10.7270/Q20C4WRJ
					More data for this Ligand-Target Pair
Transient receptor potential M8 protein (Canis lupus familiaris (Dog))	BDBM50335172 (3-[5-(2-Trifluoromethylphenyl)-1H-benzimidazol-2-y...) Show SMILES FC(F)(F)c1ccccc1-c1ccc2nc([nH]c2c1)C1=NOC2(C1)CCOCC2 |t:22| Show InChI InChI=1S/C21H18F3N3O2/c22-21(23,24)15-4-2-1-3-14(15)13-5-6-16-17(11-13)26-19(25-16)18-12-20(29-27-18)7-9-28-10-8-20/h1-6,11H,7-10,12H2,(H,25,26)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Antagonist activity at canine TRPM8 expressed in HEK293 cells assessed as inhibition of intracellular calcium accumulation by FLIPR assay				J Med Chem 54: 233-47 (2011) Article DOI: 10.1021/jm101075v BindingDB Entry DOI: 10.7270/Q20C4WRJ
					More data for this Ligand-Target Pair
Transient receptor potential M8 protein (Canis lupus familiaris (Dog))	BDBM50335168 (2-{2-[2-(1-Oxa-2-aza-spiro[4.5]dec-2-en-3-yl)-1H-b...) Show SMILES CC(C)(O)c1ccccc1-c1ccc2nc([nH]c2c1)C1=NOC2(C1)CCCCC2 |t:22| Show InChI InChI=1S/C24H27N3O2/c1-23(2,28)18-9-5-4-8-17(18)16-10-11-19-20(14-16)26-22(25-19)21-15-24(29-27-21)12-6-3-7-13-24/h4-5,8-11,14,28H,3,6-7,12-13,15H2,1-2H3,(H,25,26)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Antagonist activity at canine TRPM8 expressed in HEK293 cells assessed as inhibition of intracellular calcium accumulation by FLIPR assay				J Med Chem 54: 233-47 (2011) Article DOI: 10.1021/jm101075v BindingDB Entry DOI: 10.7270/Q20C4WRJ
					More data for this Ligand-Target Pair
Transient receptor potential M8 protein (Canis lupus familiaris (Dog))	BDBM50335167 (2-(5-(2-(Trifluoromethyl)phenyl)-1H-benzimidazol-2...) Show SMILES FC(F)(F)c1ccccc1-c1ccc2nc([nH]c2c1)C1=NCC2(CCCCC2)O1 |t:22| Show InChI InChI=1S/C22H20F3N3O/c23-22(24,25)16-7-3-2-6-15(16)14-8-9-17-18(12-14)28-19(27-17)20-26-13-21(29-20)10-4-1-5-11-21/h2-3,6-9,12H,1,4-5,10-11,13H2,(H,27,28)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Antagonist activity at canine TRPM8 expressed in HEK293 cells assessed as inhibition of intracellular calcium accumulation by FLIPR assay				J Med Chem 54: 233-47 (2011) Article DOI: 10.1021/jm101075v BindingDB Entry DOI: 10.7270/Q20C4WRJ
					More data for this Ligand-Target Pair
Transient receptor potential M8 protein (Canis lupus familiaris (Dog))	BDBM50335152 (3-[5-(2,2-Difluorobenzo[1,3]dioxol-4-yl)-1H-benzim...) Show SMILES FC1(F)Oc2cccc(c2O1)-c1ccc2nc([nH]c2c1)C1=NOC2(C1)CCCCC2 |t:24| Show InChI InChI=1S/C22H19F2N3O3/c23-22(24)28-18-6-4-5-14(19(18)29-22)13-7-8-15-16(11-13)26-20(25-15)17-12-21(30-27-17)9-2-1-3-10-21/h4-8,11H,1-3,9-10,12H2,(H,25,26)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	91	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Antagonist activity at canine TRPM8 expressed in HEK293 cells assessed as inhibition of intracellular calcium accumulation by FLIPR assay				J Med Chem 54: 233-47 (2011) Article DOI: 10.1021/jm101075v BindingDB Entry DOI: 10.7270/Q20C4WRJ
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50335156 (3-[5-(2-Trifluoromethyl-phenyl)-1H-benzimidazol-2-...) Show SMILES FC(F)(F)c1ccccc1-c1ccc2nc([nH]c2c1)C1=NOC2(C1)CCCCC2 |t:22| Show InChI InChI=1S/C22H20F3N3O/c23-22(24,25)16-7-3-2-6-15(16)14-8-9-17-18(12-14)27-20(26-17)19-13-21(29-28-19)10-4-1-5-11-21/h2-3,6-9,12H,1,4-5,10-11,13H2,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes after 15 mis				J Med Chem 54: 233-47 (2011) Article DOI: 10.1021/jm101075v BindingDB Entry DOI: 10.7270/Q20C4WRJ
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50335160 (2-(1-Oxa-2-aza-spiro[4.5]dec-2-en-3-yl)-6-(2-trifl...) Show SMILES FC(F)(F)c1ccccc1-c1cc(C#N)c2[nH]c(nc2c1)C1=NOC2(C1)CCCCC2 |t:24| Show InChI InChI=1S/C23H19F3N4O/c24-23(25,26)17-7-3-2-6-16(17)14-10-15(13-27)20-18(11-14)28-21(29-20)19-12-22(31-30-19)8-4-1-5-9-22/h2-3,6-7,10-11H,1,4-5,8-9,12H2,(H,28,29)	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	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes after 15 mis				J Med Chem 54: 233-47 (2011) Article DOI: 10.1021/jm101075v BindingDB Entry DOI: 10.7270/Q20C4WRJ
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50335161 (3-[7-Bromo-5-(2-trifluoromethylphenyl)-1H-benzimid...) Show SMILES FC(F)(F)c1ccccc1-c1cc(Br)c2[nH]c(nc2c1)C1=NOC2(C1)CCCCC2 |t:23| Show InChI InChI=1S/C22H19BrF3N3O/c23-16-10-13(14-6-2-3-7-15(14)22(24,25)26)11-17-19(16)28-20(27-17)18-12-21(30-29-18)8-4-1-5-9-21/h2-3,6-7,10-11H,1,4-5,8-9,12H2,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes after 15 mis				J Med Chem 54: 233-47 (2011) Article DOI: 10.1021/jm101075v BindingDB Entry DOI: 10.7270/Q20C4WRJ
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50335159 (3-[7-Chloro-5-(2-trifluoromethylphenyl)-1H-benzimi...) Show SMILES FC(F)(F)c1ccccc1-c1cc(Cl)c2[nH]c(nc2c1)C1=NOC2(C1)CCCCC2 |t:23| Show InChI InChI=1S/C22H19ClF3N3O/c23-16-10-13(14-6-2-3-7-15(14)22(24,25)26)11-17-19(16)28-20(27-17)18-12-21(30-29-18)8-4-1-5-9-21/h2-3,6-7,10-11H,1,4-5,8-9,12H2,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes after 15 mis				J Med Chem 54: 233-47 (2011) Article DOI: 10.1021/jm101075v BindingDB Entry DOI: 10.7270/Q20C4WRJ
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50335158 (3-[7-Fluoro-5-(2-trifluoromethylphenyl)-1H-benzimi...) Show SMILES Fc1cc(cc2[nH]c(nc12)C1=NOC2(C1)CCCCC2)-c1ccccc1C(F)(F)F |t:12| Show InChI InChI=1S/C22H19F4N3O/c23-16-10-13(14-6-2-3-7-15(14)22(24,25)26)11-17-19(16)28-20(27-17)18-12-21(30-29-18)8-4-1-5-9-21/h2-3,6-7,10-11H,1,4-5,8-9,12H2,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes after 15 mis				J Med Chem 54: 233-47 (2011) Article DOI: 10.1021/jm101075v BindingDB Entry DOI: 10.7270/Q20C4WRJ
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50335165 (3-[2-(1-Oxa-2-aza-spiro[4.5]dec-2-en-3-yl)-6-(2-tr...) Show SMILES OCCCc1cc(cc2[nH]c(nc12)C1=NOC2(C1)CCCCC2)-c1ccccc1C(F)(F)F |t:15| Show InChI InChI=1S/C25H26F3N3O2/c26-25(27,28)19-9-3-2-8-18(19)17-13-16(7-6-12-32)22-20(14-17)29-23(30-22)21-15-24(33-31-21)10-4-1-5-11-24/h2-3,8-9,13-14,32H,1,4-7,10-12,15H2,(H,29,30)	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	6.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes after 15 mis				J Med Chem 54: 233-47 (2011) Article DOI: 10.1021/jm101075v BindingDB Entry DOI: 10.7270/Q20C4WRJ
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50335157 (3-[7-Trifluoromethyl-5-(2-trifluoromethyl-phenyl)-...) Show SMILES FC(F)(F)c1ccccc1-c1cc(c2[nH]c(nc2c1)C1=NOC2(C1)CCCCC2)C(F)(F)F |t:22| Show InChI InChI=1S/C23H19F6N3O/c24-22(25,26)15-7-3-2-6-14(15)13-10-16(23(27,28)29)19-17(11-13)30-20(31-19)18-12-21(33-32-18)8-4-1-5-9-21/h2-3,6-7,10-11H,1,4-5,8-9,12H2,(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inhibition of CYP3A4				J Med Chem 54: 233-47 (2011) Article DOI: 10.1021/jm101075v BindingDB Entry DOI: 10.7270/Q20C4WRJ
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50335157 (3-[7-Trifluoromethyl-5-(2-trifluoromethyl-phenyl)-...) Show SMILES FC(F)(F)c1ccccc1-c1cc(c2[nH]c(nc2c1)C1=NOC2(C1)CCCCC2)C(F)(F)F |t:22| Show InChI InChI=1S/C23H19F6N3O/c24-22(25,26)15-7-3-2-6-14(15)13-10-16(23(27,28)29)19-17(11-13)30-20(31-19)18-12-21(33-32-18)8-4-1-5-9-21/h2-3,6-7,10-11H,1,4-5,8-9,12H2,(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inhibition of CYP1A2				J Med Chem 54: 233-47 (2011) Article DOI: 10.1021/jm101075v BindingDB Entry DOI: 10.7270/Q20C4WRJ
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50335157 (3-[7-Trifluoromethyl-5-(2-trifluoromethyl-phenyl)-...) Show SMILES FC(F)(F)c1ccccc1-c1cc(c2[nH]c(nc2c1)C1=NOC2(C1)CCCCC2)C(F)(F)F |t:22| Show InChI InChI=1S/C23H19F6N3O/c24-22(25,26)15-7-3-2-6-14(15)13-10-16(23(27,28)29)19-17(11-13)30-20(31-19)18-12-21(33-32-18)8-4-1-5-9-21/h2-3,6-7,10-11H,1,4-5,8-9,12H2,(H,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inhibition of CYP2D6				J Med Chem 54: 233-47 (2011) Article DOI: 10.1021/jm101075v BindingDB Entry DOI: 10.7270/Q20C4WRJ
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50335157 (3-[7-Trifluoromethyl-5-(2-trifluoromethyl-phenyl)-...) Show SMILES FC(F)(F)c1ccccc1-c1cc(c2[nH]c(nc2c1)C1=NOC2(C1)CCCCC2)C(F)(F)F |t:22| Show InChI InChI=1S/C23H19F6N3O/c24-22(25,26)15-7-3-2-6-14(15)13-10-16(23(27,28)29)19-17(11-13)30-20(31-19)18-12-21(33-32-18)8-4-1-5-9-21/h2-3,6-7,10-11H,1,4-5,8-9,12H2,(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inhibition of CYP2C9				J Med Chem 54: 233-47 (2011) Article DOI: 10.1021/jm101075v BindingDB Entry DOI: 10.7270/Q20C4WRJ
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50335164 (3-[5-(2-Chlorophenyl)-7-trifluoromethyl-1H-benzimi...) Show SMILES FC(F)(F)c1cc(cc2nc([nH]c12)C1=NOC2(C1)CCCCC2)-c1ccccc1Cl |t:15| Show InChI InChI=1S/C22H19ClF3N3O/c23-16-7-3-2-6-14(16)13-10-15(22(24,25)26)19-17(11-13)27-20(28-19)18-12-21(30-29-18)8-4-1-5-9-21/h2-3,6-7,10-11H,1,4-5,8-9,12H2,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes after 15 mis				J Med Chem 54: 233-47 (2011) Article DOI: 10.1021/jm101075v BindingDB Entry DOI: 10.7270/Q20C4WRJ
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50335157 (3-[7-Trifluoromethyl-5-(2-trifluoromethyl-phenyl)-...) Show SMILES FC(F)(F)c1ccccc1-c1cc(c2[nH]c(nc2c1)C1=NOC2(C1)CCCCC2)C(F)(F)F |t:22| Show InChI InChI=1S/C23H19F6N3O/c24-22(25,26)15-7-3-2-6-14(15)13-10-16(23(27,28)29)19-17(11-13)30-20(31-19)18-12-21(33-32-18)8-4-1-5-9-21/h2-3,6-7,10-11H,1,4-5,8-9,12H2,(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inhibition of CYP2C19				J Med Chem 54: 233-47 (2011) Article DOI: 10.1021/jm101075v BindingDB Entry DOI: 10.7270/Q20C4WRJ
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50335163 (3-[5-(2-Trifluoromethoxyphenyl)-7-trifluoromethyl-...) Show SMILES FC(F)(F)Oc1ccccc1-c1cc(c2[nH]c(nc2c1)C1=NOC2(C1)CCCCC2)C(F)(F)F |t:23| Show InChI InChI=1S/C23H19F6N3O2/c24-22(25,26)15-10-13(14-6-2-3-7-18(14)33-23(27,28)29)11-16-19(15)31-20(30-16)17-12-21(34-32-17)8-4-1-5-9-21/h2-3,6-7,10-11H,1,4-5,8-9,12H2,(H,30,31)	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+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes after 15 mis				J Med Chem 54: 233-47 (2011) Article DOI: 10.1021/jm101075v BindingDB Entry DOI: 10.7270/Q20C4WRJ
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50335157 (3-[7-Trifluoromethyl-5-(2-trifluoromethyl-phenyl)-...) Show SMILES FC(F)(F)c1ccccc1-c1cc(c2[nH]c(nc2c1)C1=NOC2(C1)CCCCC2)C(F)(F)F |t:22| Show InChI InChI=1S/C23H19F6N3O/c24-22(25,26)15-7-3-2-6-14(15)13-10-16(23(27,28)29)19-17(11-13)30-20(31-19)18-12-21(33-32-18)8-4-1-5-9-21/h2-3,6-7,10-11H,1,4-5,8-9,12H2,(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes after 15 mis				J Med Chem 54: 233-47 (2011) Article DOI: 10.1021/jm101075v BindingDB Entry DOI: 10.7270/Q20C4WRJ
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50335162 (3-[5-(2-Fluorophenyl)-7-trifluoromethyl-1H-benzimi...) Show SMILES Fc1ccccc1-c1cc(c2[nH]c(nc2c1)C1=NOC2(C1)CCCCC2)C(F)(F)F |t:19| Show InChI InChI=1S/C22H19F4N3O/c23-16-7-3-2-6-14(16)13-10-15(22(24,25)26)19-17(11-13)27-20(28-19)18-12-21(30-29-18)8-4-1-5-9-21/h2-3,6-7,10-11H,1,4-5,8-9,12H2,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes after 15 mis				J Med Chem 54: 233-47 (2011) Article DOI: 10.1021/jm101075v BindingDB Entry DOI: 10.7270/Q20C4WRJ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50335157 (3-[7-Trifluoromethyl-5-(2-trifluoromethyl-phenyl)-...) Show SMILES FC(F)(F)c1ccccc1-c1cc(c2[nH]c(nc2c1)C1=NOC2(C1)CCCCC2)C(F)(F)F |t:22| Show InChI InChI=1S/C23H19F6N3O/c24-22(25,26)15-7-3-2-6-14(15)13-10-16(23(27,28)29)19-17(11-13)30-20(31-19)18-12-21(33-32-18)8-4-1-5-9-21/h2-3,6-7,10-11H,1,4-5,8-9,12H2,(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]astemizole from human ERG by whole cell patch-clamp technique				J Med Chem 54: 233-47 (2011) Article DOI: 10.1021/jm101075v BindingDB Entry DOI: 10.7270/Q20C4WRJ
					More data for this Ligand-Target Pair