Compile Data Set for Download or QSAR

Found 15 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50039126   

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 cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50315610 ((4-Trifluoromethylphenyl)-[7-(3-trifluoromethylpyr...) Show SMILES FC(F)(F)c1ccc(Nc2ncnc3nc(cnc23)-c2ncccc2C(F)(F)F)cc1 Show InChI InChI=1S/C19H10F6N6/c20-18(21,22)10-3-5-11(6-4-10)30-16-15-17(29-9-28-16)31-13(8-27-15)14-12(19(23,24)25)2-1-7-26-14/h1-9H,(H,28,29,30,31)	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	0.210	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Antagonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as inhibition of capsazepine-induced calcium mobilization by FLIPR ...				J Med Chem 53: 3330-48 (2010) Article DOI: 10.1021/jm100051g BindingDB Entry DOI: 10.7270/Q2474BTP
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50315616 (3-[3-(Trifluoromethyl)pyridin-2-yl]-N-[5-(trifluor...) Show SMILES FC(F)(F)c1ccc(Nc2ccnc3nc(cnc23)-c2ncccc2C(F)(F)F)cc1 Show InChI InChI=1S/C20H11F6N5/c21-19(22,23)11-3-5-12(6-4-11)30-14-7-9-28-18-17(14)29-10-15(31-18)16-13(20(24,25)26)2-1-8-27-16/h1-10H,(H,28,30,31)	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	0.230	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Antagonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as inhibition of capsazepine-induced calcium mobilization by FLIPR ...				J Med Chem 53: 3330-48 (2010) Article DOI: 10.1021/jm100051g BindingDB Entry DOI: 10.7270/Q2474BTP
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50315608 ((4-Trifluoromethylphenyl)-[7-(3-trifluoromethylpyr...) Show SMILES FC(F)(F)c1ccc(Nc2ncnc3cc(cnc23)-c2ncccc2C(F)(F)F)cc1 Show InChI InChI=1S/C20H11F6N5/c21-19(22,23)12-3-5-13(6-4-12)31-18-17-15(29-10-30-18)8-11(9-28-17)16-14(20(24,25)26)2-1-7-27-16/h1-10H,(H,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	0.630	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Antagonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as inhibition of capsazepine-induced calcium mobilization by FLIPR ...				J Med Chem 53: 3330-48 (2010) Article DOI: 10.1021/jm100051g BindingDB Entry DOI: 10.7270/Q2474BTP
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50315609 ((4-Trifluoromethylphenyl)-[7-(3-trifluoromethylpyr...) Show SMILES FC(F)(F)c1ccc(Nc2ncnc3nc(ccc23)-c2ncccc2C(F)(F)F)cc1 Show InChI InChI=1S/C20H11F6N5/c21-19(22,23)11-3-5-12(6-4-11)30-17-13-7-8-15(31-18(13)29-10-28-17)16-14(20(24,25)26)2-1-9-27-16/h1-10H,(H,28,29,30,31)	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	0.830	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Antagonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as inhibition of capsazepine-induced calcium mobilization by FLIPR ...				J Med Chem 53: 3330-48 (2010) Article DOI: 10.1021/jm100051g BindingDB Entry DOI: 10.7270/Q2474BTP
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50273167 ((5-Trifluoromethylpyridin-2-yl)-[7-(3-trifluoromet...) Show SMILES FC(F)(F)c1ccc(Nc2ncnc3cc(ccc23)-c2ncccc2C(F)(F)F)nc1 Show InChI InChI=1S/C20H11F6N5/c21-19(22,23)12-4-6-16(28-9-12)31-18-13-5-3-11(8-15(13)29-10-30-18)17-14(20(24,25)26)2-1-7-27-17/h1-10H,(H,28,29,30,31)	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	0.850	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Antagonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as inhibition of capsazepine-induced calcium mobilization by FLIPR ...				J Med Chem 53: 3330-48 (2010) Article DOI: 10.1021/jm100051g BindingDB Entry DOI: 10.7270/Q2474BTP
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50191726 ((4-Trifluoromethylphenyl)-[7-(3-trifluoromethylpyr...) Show SMILES FC(F)(F)c1ccc(Nc2ncnc3cc(ccc23)-c2ncccc2C(F)(F)F)cc1 Show InChI InChI=1S/C21H12F6N4/c22-20(23,24)13-4-6-14(7-5-13)31-19-15-8-3-12(10-17(15)29-11-30-19)18-16(21(25,26)27)2-1-9-28-18/h1-11H,(H,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Antagonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as inhibition of capsazepine-induced calcium mobilization by FLIPR ...				J Med Chem 53: 3330-48 (2010) Article DOI: 10.1021/jm100051g BindingDB Entry DOI: 10.7270/Q2474BTP
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50315612 (7-[3-(Trifluoromethyl)pyridin-2-yl]-N-[5-(trifluor...) Show SMILES FC(F)(F)c1ccc(Nc2ccnc3cc(ccc23)-c2ncccc2C(F)(F)F)nc1 Show InChI InChI=1S/C21H12F6N4/c22-20(23,24)13-4-6-18(30-11-13)31-16-7-9-28-17-10-12(3-5-14(16)17)19-15(21(25,26)27)2-1-8-29-19/h1-11H,(H,28,30,31)	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	1.65	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Antagonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as inhibition of capsazepine-induced calcium mobilization by FLIPR ...				J Med Chem 53: 3330-48 (2010) Article DOI: 10.1021/jm100051g BindingDB Entry DOI: 10.7270/Q2474BTP
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50315615 (7-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluor...) Show SMILES FC(F)(F)c1ccc(Nc2ccnc3nc(ccc23)-c2ncccc2C(F)(F)F)nc1 Show InChI InChI=1S/C20H11F6N5/c21-19(22,23)11-3-6-16(29-10-11)30-14-7-9-28-18-12(14)4-5-15(31-18)17-13(20(24,25)26)2-1-8-27-17/h1-10H,(H,28,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Antagonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as inhibition of capsazepine-induced calcium mobilization by FLIPR ...				J Med Chem 53: 3330-48 (2010) Article DOI: 10.1021/jm100051g BindingDB Entry DOI: 10.7270/Q2474BTP
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50315614 ((4-Trifluoromethylphenyl)-[7-(3-trifluoromethylpyr...) Show SMILES FC(F)(F)c1ccc(Nc2ccnc3nc(ccc23)-c2ncccc2C(F)(F)F)cc1 Show InChI InChI=1S/C21H12F6N4/c22-20(23,24)12-3-5-13(6-4-12)30-16-9-11-29-19-14(16)7-8-17(31-19)18-15(21(25,26)27)2-1-10-28-18/h1-11H,(H,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Antagonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as inhibition of capsazepine-induced calcium mobilization by FLIPR ...				J Med Chem 53: 3330-48 (2010) Article DOI: 10.1021/jm100051g BindingDB Entry DOI: 10.7270/Q2474BTP
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50273214 (7-(3-(trifluoromethyl)pyridin-2-yl)-N-(6-(trifluor...) Show SMILES FC(F)(F)c1ccc(Nc2ncnc3cc(ccc23)-c2ncccc2C(F)(F)F)cn1 Show InChI InChI=1S/C20H11F6N5/c21-19(22,23)14-2-1-7-27-17(14)11-3-5-13-15(8-11)29-10-30-18(13)31-12-4-6-16(28-9-12)20(24,25)26/h1-10H,(H,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.10	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Antagonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as inhibition of capsazepine-induced calcium mobilization by FLIPR ...				J Med Chem 53: 3330-48 (2010) Article DOI: 10.1021/jm100051g BindingDB Entry DOI: 10.7270/Q2474BTP
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50315618 ((5-Trifluoromethylpyridin-2-yl)-[7-(3-trifluoromet...) Show SMILES FC(F)(F)c1ccc(Nc2cnnc3cc(ccc23)-c2ncccc2C(F)(F)F)cc1 Show InChI InChI=1S/C21H12F6N4/c22-20(23,24)13-4-6-14(7-5-13)30-18-11-29-31-17-10-12(3-8-15(17)18)19-16(21(25,26)27)2-1-9-28-19/h1-11H,(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Antagonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as inhibition of capsazepine-induced calcium mobilization by FLIPR ...				J Med Chem 53: 3330-48 (2010) Article DOI: 10.1021/jm100051g BindingDB Entry DOI: 10.7270/Q2474BTP
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50315617 (2-[3-(Trifluoromethyl)pyridin-2-yl]-N-[5-(trifluor...) Show SMILES FC(F)(F)c1ccc(Nc2nccc3nc(cnc23)-c2ncccc2C(F)(F)F)cc1 Show InChI InChI=1S/C20H11F6N5/c21-19(22,23)11-3-5-12(6-4-11)30-18-17-14(7-9-28-18)31-15(10-29-17)16-13(20(24,25)26)2-1-8-27-16/h1-10H,(H,28,30)	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	79	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Antagonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as inhibition of capsazepine-induced calcium mobilization by FLIPR ...				J Med Chem 53: 3330-48 (2010) Article DOI: 10.1021/jm100051g BindingDB Entry DOI: 10.7270/Q2474BTP
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50315613 (7-[3-(Trifluoromethyl)pyridin-2-yl]-N-[5-(trifluor...) Show SMILES FC(F)(F)c1ccc(Nc2ccnc3cc(cnc23)-c2ncccc2C(F)(F)F)nc1 Show InChI InChI=1S/C20H11F6N5/c21-19(22,23)12-3-4-16(29-10-12)31-14-5-7-27-15-8-11(9-30-18(14)15)17-13(20(24,25)26)2-1-6-28-17/h1-10H,(H,27,29,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	308	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Antagonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as inhibition of capsazepine-induced calcium mobilization by FLIPR ...				J Med Chem 53: 3330-48 (2010) Article DOI: 10.1021/jm100051g BindingDB Entry DOI: 10.7270/Q2474BTP
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50315619 ((5-Trifluoromethylpyridin-2-yl)[2-(3-trifluorometh...) Show SMILES FC(F)(F)c1ccc(Nc2cncc3nc(ccc23)-c2ncccc2C(F)(F)F)cc1 Show InChI InChI=1S/C21H12F6N4/c22-20(23,24)12-3-5-13(6-4-12)30-17-10-28-11-18-14(17)7-8-16(31-18)19-15(21(25,26)27)2-1-9-29-19/h1-11,30H	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	460	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Antagonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as inhibition of capsazepine-induced calcium mobilization by FLIPR ...				J Med Chem 53: 3330-48 (2010) Article DOI: 10.1021/jm100051g BindingDB Entry DOI: 10.7270/Q2474BTP
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50315611 ((4-Trifluoromethylphenyl)-[7-(3-trifluoromethylpyr...) Show SMILES FC(F)(F)c1ccc(Nc2ncnc3nc(ncc23)-c2ncccc2C(F)(F)F)cc1 Show InChI InChI=1S/C19H10F6N6/c20-18(21,22)10-3-5-11(6-4-10)30-15-12-8-27-17(31-16(12)29-9-28-15)14-13(19(23,24)25)2-1-7-26-14/h1-9H,(H,27,28,29,30,31)	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	665	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Antagonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as inhibition of capsazepine-induced calcium mobilization by FLIPR ...				J Med Chem 53: 3330-48 (2010) Article DOI: 10.1021/jm100051g BindingDB Entry DOI: 10.7270/Q2474BTP
					More data for this Ligand-Target Pair