Compile Data Set for Download or QSAR

Found 52 hits with Last Name = 'baker' and Initial = 'jf'   

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
Trypanothione reductase (Trypanosoma cruzi)	BDBM50103373 (CHEMBL3398189) Show SMILES NCCCN(CCCCN(CCCN)C1c2ccccc2CCc2ccccc12)C1c2ccccc2CCc2ccccc12 Show InChI InChI=1S/C40H50N4/c41-25-11-29-43(39-35-17-5-1-13-31(35)21-22-32-14-2-6-18-36(32)39)27-9-10-28-44(30-12-26-42)40-37-19-7-3-15-33(37)23-24-34-16-4-8-20-38(34)40/h1-8,13-20,39-40H,9-12,21-30,41-42H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	255	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Canisius College Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi trypanothione reductase assessed as reduction of trypanothione disulfide by spectrophotometrically				Bioorg Med Chem 23: 996-1010 (2015) Article DOI: 10.1016/j.bmc.2015.01.018 BindingDB Entry DOI: 10.7270/Q27P9166
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50103372 (CHEMBL378650) Show SMILES NCCCCN(CCCN)C1c2ccccc2CCc2ccccc12 Show InChI InChI=1S/C22H31N3/c23-14-5-6-16-25(17-7-15-24)22-20-10-3-1-8-18(20)12-13-19-9-2-4-11-21(19)22/h1-4,8-11,22H,5-7,12-17,23-24H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Canisius College Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi trypanothione reductase assessed as reduction of trypanothione disulfide by spectrophotometrically				Bioorg Med Chem 23: 996-1010 (2015) Article DOI: 10.1016/j.bmc.2015.01.018 BindingDB Entry DOI: 10.7270/Q27P9166
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM77970 (3-(2-chloranyl-5,6-dihydrobenzo[b][1]benzazepin-11...) Show SMILES CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc12 Show InChI InChI=1S/C19H23ClN2/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Canisius College Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi trypanothione reductase assessed as reduction of trypanothione disulfide by spectrophotometrically				Bioorg Med Chem 23: 996-1010 (2015) Article DOI: 10.1016/j.bmc.2015.01.018 BindingDB Entry DOI: 10.7270/Q27P9166
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50103371 (CHEMBL3398188) Show SMILES NCCCN(CCCN)C1c2ccccc2CCc2ccccc12 Show InChI InChI=1S/C21H29N3/c22-13-5-15-24(16-6-14-23)21-19-9-3-1-7-17(19)11-12-18-8-2-4-10-20(18)21/h1-4,7-10,21H,5-6,11-16,22-23H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.62E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Canisius College Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi trypanothione reductase assessed as reduction of trypanothione disulfide by spectrophotometrically				Bioorg Med Chem 23: 996-1010 (2015) Article DOI: 10.1016/j.bmc.2015.01.018 BindingDB Entry DOI: 10.7270/Q27P9166
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50103370 (CHEMBL3398187) Show SMILES NCCN(CCN)C1c2ccccc2CCc2cccnc12 Show InChI InChI=1S/C18H24N4/c19-9-12-22(13-10-20)18-16-6-2-1-4-14(16)7-8-15-5-3-11-21-17(15)18/h1-6,11,18H,7-10,12-13,19-20H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.79E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Canisius College Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi trypanothione reductase assessed as reduction of trypanothione disulfide by spectrophotometrically				Bioorg Med Chem 23: 996-1010 (2015) Article DOI: 10.1016/j.bmc.2015.01.018 BindingDB Entry DOI: 10.7270/Q27P9166
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50103369 (CHEMBL3398186) Show SMILES CN(C)CCCNC1c2ccccc2CCc2ccccc12 Show InChI InChI=1S/C20H26N2/c1-22(2)15-7-14-21-20-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)20/h3-6,8-11,20-21H,7,12-15H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	8.16E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Canisius College Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi trypanothione reductase assessed as reduction of trypanothione disulfide by spectrophotometrically				Bioorg Med Chem 23: 996-1010 (2015) Article DOI: 10.1016/j.bmc.2015.01.018 BindingDB Entry DOI: 10.7270/Q27P9166
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50103368 (CHEMBL332939) Show SMILES CN(C)CCNC1c2ccccc2CCc2ccccc12 Show InChI InChI=1S/C19H24N2/c1-21(2)14-13-20-19-17-9-5-3-7-15(17)11-12-16-8-4-6-10-18(16)19/h3-10,19-20H,11-14H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.36E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Canisius College Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi trypanothione reductase assessed as reduction of trypanothione disulfide by spectrophotometrically				Bioorg Med Chem 23: 996-1010 (2015) Article DOI: 10.1016/j.bmc.2015.01.018 BindingDB Entry DOI: 10.7270/Q27P9166
					More data for this Ligand-Target Pair
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
Trypanothione reductase (Trypanosoma brucei brucei)	BDBM77970 (3-(2-chloranyl-5,6-dihydrobenzo[b][1]benzazepin-11...) Show SMILES CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc12 Show InChI InChI=1S/C19H23ClN2/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Canisius College Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma brucei brucei strain S427 trypanothione reductase assessed as reduction of trypanothione disulphide by 412 nm a...				Bioorg Med Chem 23: 996-1010 (2015) Article DOI: 10.1016/j.bmc.2015.01.018 BindingDB Entry DOI: 10.7270/Q27P9166
					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 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))	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 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))	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
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 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

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