Compile Data Set for Download or QSAR
Found 24 Enz. Inhib. hit(s) with all data for entry = 50039126
TargetTransient receptor potential cation channel subfamily V member 1(Homo sapiens (Human))
Neurogen Corporation

Curated by ChEMBL
LigandPNGBDBM50315610((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)
Affinity DataIC50: 0.210nMAssay Description:Antagonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as inhibition of capsazepine-induced calcium mobilization by FLIPR ...More data for this Ligand-Target Pair
TargetTransient receptor potential cation channel subfamily V member 1(Homo sapiens (Human))
Neurogen Corporation

Curated by ChEMBL
LigandPNGBDBM50315616(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)
Affinity DataIC50: 0.230nMAssay Description:Antagonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as inhibition of capsazepine-induced calcium mobilization by FLIPR ...More data for this Ligand-Target Pair
TargetTransient receptor potential cation channel subfamily V member 1(Homo sapiens (Human))
Neurogen Corporation

Curated by ChEMBL
LigandPNGBDBM50315608((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)
Affinity DataIC50: 0.630nMAssay Description:Antagonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as inhibition of capsazepine-induced calcium mobilization by FLIPR ...More data for this Ligand-Target Pair
TargetTransient receptor potential cation channel subfamily V member 1(Homo sapiens (Human))
Neurogen Corporation

Curated by ChEMBL
LigandPNGBDBM50315609((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)
Affinity DataIC50: 0.830nMAssay Description:Antagonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as inhibition of capsazepine-induced calcium mobilization by FLIPR ...More data for this Ligand-Target Pair
TargetTransient receptor potential cation channel subfamily V member 1(Homo sapiens (Human))
Neurogen Corporation

Curated by ChEMBL
LigandPNGBDBM50273167((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)
Affinity DataIC50: 0.850nMAssay Description:Antagonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as inhibition of capsazepine-induced calcium mobilization by FLIPR ...More data for this Ligand-Target Pair
TargetTransient receptor potential cation channel subfamily V member 1(Homo sapiens (Human))
Neurogen Corporation

Curated by ChEMBL
LigandPNGBDBM20557(AMG 517 | CHEMBL229430 | JMC503515 Compound 23 | N...)
Show SMILES CC(=O)Nc1nc2c(Oc3cc(ncn3)-c3ccc(cc3)C(F)(F)F)cccc2s1
Show InChI InChI=1S/C20H13F3N4O2S/c1-11(28)26-19-27-18-15(3-2-4-16(18)30-19)29-17-9-14(24-10-25-17)12-5-7-13(8-6-12)20(21,22)23/h2-10H,1H3,(H,26,27,28)
Affinity DataIC50: 0.900nMAssay Description:Inhibition of human TRPV1More data for this Ligand-Target Pair
TargetTransient receptor potential cation channel subfamily V member 1(Homo sapiens (Human))
Neurogen Corporation

Curated by ChEMBL
LigandPNGBDBM50191726((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)
Affinity DataIC50: 1.10nMAssay Description:Inhibition of human TRPV1More data for this Ligand-Target Pair
TargetTransient receptor potential cation channel subfamily V member 1(Homo sapiens (Human))
Neurogen Corporation

Curated by ChEMBL
LigandPNGBDBM50191726((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)
Affinity DataIC50: 1.10nMAssay Description:Antagonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as inhibition of capsazepine-induced calcium mobilization by FLIPR ...More data for this Ligand-Target Pair
TargetTransient receptor potential cation channel subfamily V member 1(Homo sapiens (Human))
Neurogen Corporation

Curated by ChEMBL
LigandPNGBDBM50272850(2-(methoxymethyl)-N-(4-(trifluoromethyl)phenyl)-7-...)
Show SMILES COCc1nc(Nc2ccc(cc2)C(F)(F)F)c2ccc(cc2n1)-c1ncccc1C(F)(F)F
Show InChI InChI=1S/C23H16F6N4O/c1-34-12-19-32-18-11-13(20-17(23(27,28)29)3-2-10-30-20)4-9-16(18)21(33-19)31-15-7-5-14(6-8-15)22(24,25)26/h2-11H,12H2,1H3,(H,31,32,33)
Affinity DataIC50: 1.5nMAssay Description:Inhibition of human TRPV1More data for this Ligand-Target Pair
TargetTransient receptor potential cation channel subfamily V member 1(Homo sapiens (Human))
Neurogen Corporation

Curated by ChEMBL
LigandPNGBDBM50315612(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)
Affinity DataIC50: 1.65nMAssay Description:Antagonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as inhibition of capsazepine-induced calcium mobilization by FLIPR ...More data for this Ligand-Target Pair
TargetTransient receptor potential cation channel subfamily V member 1(Homo sapiens (Human))
Neurogen Corporation

Curated by ChEMBL
LigandPNGBDBM50315615(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)
Affinity DataIC50: 2.20nMAssay Description:Antagonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as inhibition of capsazepine-induced calcium mobilization by FLIPR ...More data for this Ligand-Target Pair
TargetTransient receptor potential cation channel subfamily V member 1(Rattus norvegicus (rat))
Neurogen Corporation

Curated by ChEMBL
LigandPNGBDBM50315615(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)
Affinity DataIC50: 3.25nMpH: 5.0Assay Description:Inhibition of rat TRPV1 at pH 5 to 5.5More data for this Ligand-Target Pair
TargetTransient receptor potential cation channel subfamily V member 1(Homo sapiens (Human))
Neurogen Corporation

Curated by ChEMBL
LigandPNGBDBM50232114((R)-1-(5-tert-butyl-2,3-dihydro-1H-inden-1-yl)-3-(...)
Show SMILES CC(C)(C)c1ccc2[C@@H](CCc2c1)NC(=O)Nc1cccc2[nH]ncc12
Show InChI InChI=1S/C21H24N4O/c1-21(2,3)14-8-9-15-13(11-14)7-10-18(15)24-20(26)23-17-5-4-6-19-16(17)12-22-25-19/h4-6,8-9,11-12,18H,7,10H2,1-3H3,(H,22,25)(H2,23,24,26)/t18-/m1/s1
Affinity DataIC50: 4nMAssay Description:Inhibition of human TRPV1More data for this Ligand-Target Pair
TargetTransient receptor potential cation channel subfamily V member 1(Homo sapiens (Human))
Neurogen Corporation

Curated by ChEMBL
LigandPNGBDBM50315614((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)
Affinity DataIC50: 6.10nMAssay Description:Antagonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as inhibition of capsazepine-induced calcium mobilization by FLIPR ...More data for this Ligand-Target Pair
TargetTransient receptor potential cation channel subfamily V member 1(Homo sapiens (Human))
Neurogen Corporation

Curated by ChEMBL
LigandPNGBDBM50273214(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)
Affinity DataIC50: 7.10nMAssay Description:Antagonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as inhibition of capsazepine-induced calcium mobilization by FLIPR ...More data for this Ligand-Target Pair
TargetTransient receptor potential cation channel subfamily V member 1(Homo sapiens (Human))
Neurogen Corporation

Curated by ChEMBL
LigandPNGBDBM50184737(CHEMBL378563 | N-(4-(trifluoromethyl)phenyl)-4-(3-...)
Show SMILES FC(F)(F)c1ccc(NC(=O)c2ccc(cc2)-c2ncccc2C(F)(F)F)cc1
Show InChI InChI=1S/C20H12F6N2O/c21-19(22,23)14-7-9-15(10-8-14)28-18(29)13-5-3-12(4-6-13)17-16(20(24,25)26)2-1-11-27-17/h1-11H,(H,28,29)
Affinity DataIC50: 14nMAssay Description:Inhibition of human TRPV1More data for this Ligand-Target Pair
TargetTransient receptor potential cation channel subfamily V member 1(Homo sapiens (Human))
Neurogen Corporation

Curated by ChEMBL
LigandPNGBDBM50191704((R)-2-methyl-N-(4-(trifluoromethyl)phenyl)-4-(3-(t...)
Show SMILES C[C@@H]1CN(CCN1C(=O)Nc1ccc(cc1)C(F)(F)F)c1ncccc1C(F)(F)F
Show InChI InChI=1S/C19H18F6N4O/c1-12-11-28(16-15(19(23,24)25)3-2-8-26-16)9-10-29(12)17(30)27-14-6-4-13(5-7-14)18(20,21)22/h2-8,12H,9-11H2,1H3,(H,27,30)/t12-/m1/s1
Affinity DataIC50: 17nMAssay Description:Inhibition of human TRPV1More data for this Ligand-Target Pair
TargetTransient receptor potential cation channel subfamily V member 1(Homo sapiens (Human))
Neurogen Corporation

Curated by ChEMBL
LigandPNGBDBM50315618((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)
Affinity DataIC50: 29nMAssay Description:Antagonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as inhibition of capsazepine-induced calcium mobilization by FLIPR ...More data for this Ligand-Target Pair
TargetTransient receptor potential cation channel subfamily V member 1(Rattus norvegicus (rat))
Neurogen Corporation

Curated by ChEMBL
LigandPNGBDBM20504(1-(2-bromophenyl)-3-[(3R)-1-[5-(trifluoromethyl)py...)
Show SMILES FC(F)(F)c1ccc(nc1)N1CC[C@H](C1)NC(=O)Nc1ccccc1Br
Show InChI InChI=1S/C17H16BrF3N4O/c18-13-3-1-2-4-14(13)24-16(26)23-12-7-8-25(10-12)15-6-5-11(9-22-15)17(19,20)21/h1-6,9,12H,7-8,10H2,(H2,23,24,26)/t12-/m1/s1
Affinity DataIC50: 32nMAssay Description:Inhibition of rat TRPV1More data for this Ligand-Target Pair
TargetTransient receptor potential cation channel subfamily V member 1(Homo sapiens (Human))
Neurogen Corporation

Curated by ChEMBL
LigandPNGBDBM50315617(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)
Affinity DataIC50: 79nMAssay Description:Antagonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as inhibition of capsazepine-induced calcium mobilization by FLIPR ...More data for this Ligand-Target Pair
TargetTransient receptor potential cation channel subfamily V member 1(Homo sapiens (Human))
Neurogen Corporation

Curated by ChEMBL
LigandPNGBDBM50315613(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)
Affinity DataIC50: 308nMAssay Description:Antagonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as inhibition of capsazepine-induced calcium mobilization by FLIPR ...More data for this Ligand-Target Pair
TargetTransient receptor potential cation channel subfamily V member 1(Homo sapiens (Human))
Neurogen Corporation

Curated by ChEMBL
LigandPNGBDBM50315619((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
Affinity DataIC50: 460nMAssay Description:Antagonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as inhibition of capsazepine-induced calcium mobilization by FLIPR ...More data for this Ligand-Target Pair
TargetTransient receptor potential cation channel subfamily V member 1(Homo sapiens (Human))
Neurogen Corporation

Curated by ChEMBL
LigandPNGBDBM50315611((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)
Affinity DataIC50: 665nMAssay Description:Antagonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as inhibition of capsazepine-induced calcium mobilization by FLIPR ...More data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 3(Homo sapiens (Human))
Neurogen Corporation

Curated by ChEMBL
LigandPNGBDBM50315615(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)
Affinity DataIC50: 980nMAssay Description:Inhibition of human ERK1More data for this Ligand-Target Pair