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Compile Data Set for Download or QSAR

Found 57 hits Enz. Inhib. hit(s) with all data for entry = 50032568   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM20461
PNG
((6E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methy...)
Show SMILES COc1cc(CNC(=O)CCCC\C=C\C(C)C)ccc1O
Show InChI InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6+
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 6n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant TRPV1

Bioorg Med Chem Lett 20: 7137-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.023
BindingDB Entry DOI: 10.7270/Q29W0FQ5
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50052442
PNG
((4-Hydroxy-3-methoxy-phenyl)-acetic acid (2R,3S,3a...)
Show SMILES COc1cc(CC(=O)OCC2=C[C@H]3[C@H]4O[C@]5(Cc6ccccc6)O[C@]4(C[C@@H](C)[C@]3(O5)[C@@H]3C=C(C)C(=O)[C@@]3(O)C2)C(C)=C)ccc1O |r,t:10,35,THB:23:15:26.25.24:12|
Show InChI InChI=1S/C37H40O9/c1-21(2)35-17-23(4)37-27(33(35)44-36(45-35,46-37)19-24-9-7-6-8-10-24)14-26(18-34(41)30(37)13-22(3)32(34)40)20-43-31(39)16-25-11-12-28(38)29(15-25)42-5/h6-15,23,27,30,33,38,41H,1,16-20H2,2-5H3/t23-,27+,30-,33-,34-,35-,36-,37-/m1/s1
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 14n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant TRPV1

Bioorg Med Chem Lett 20: 7137-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.023
BindingDB Entry DOI: 10.7270/Q29W0FQ5
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50331116
PNG
(2-morpholino-N-(4-(trifluoromethyl)phenyl)-7-(3-(t...)
Show SMILES FC(F)(F)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCOCC2)cc1
Show InChI InChI=1S/C25H24F6N6O/c26-24(27,28)16-3-5-17(6-4-16)33-21-18-7-10-36(22-19(25(29,30)31)2-1-9-32-22)11-8-20(18)34-23(35-21)37-12-14-38-15-13-37/h1-6,9H,7-8,10-15H2,(H,33,34,35)
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n/an/a 6n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 assessed as inhibition of capsaicin-induced in intracellular calcium levels by cell-based FLIPR assay

Bioorg Med Chem Lett 20: 7137-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.023
BindingDB Entry DOI: 10.7270/Q29W0FQ5
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50331150
PNG
(CHEMBL1290369 | N-(4-tert-butylphenyl)-7-(3-(trifl...)
Show SMILES CC(C)(C)c1ccc(Nc2ncnc3CN(CCc23)c2ncccc2C(F)(F)F)cc1
Show InChI InChI=1S/C23H24F3N5/c1-22(2,3)15-6-8-16(9-7-15)30-20-17-10-12-31(13-19(17)28-14-29-20)21-18(23(24,25)26)5-4-11-27-21/h4-9,11,14H,10,12-13H2,1-3H3,(H,28,29,30)
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n/an/a 9n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 assessed as inhibition of capsaicin-induced in intracellular calcium levels by cell-based FLIPR assay

Bioorg Med Chem Lett 20: 7137-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.023
BindingDB Entry DOI: 10.7270/Q29W0FQ5
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50254114
PNG
(CHEMBL461658 | N-(4-(trifluoromethyl)phenyl)-7-(3-...)
Show SMILES FC(F)(F)c1ccc(Nc2ncnc3CN(CCc23)c2ncccc2C(F)(F)F)cc1
Show InChI InChI=1S/C20H15F6N5/c21-19(22,23)12-3-5-13(6-4-12)30-17-14-7-9-31(10-16(14)28-11-29-17)18-15(20(24,25)26)2-1-8-27-18/h1-6,8,11H,7,9-10H2,(H,28,29,30)
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n/an/a 15n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 assessed as inhibition of capsaicin-induced in intracellular calcium levels by cell-based FLIPR assay

Bioorg Med Chem Lett 20: 7137-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.023
BindingDB Entry DOI: 10.7270/Q29W0FQ5
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50331131
PNG
(2-methyl-2-(4-(2-(piperidin-1-yl)-7-(3-(trifluorom...)
Show SMILES CC(C)(C#N)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCCCC2)cc1
Show InChI InChI=1S/C29H32F3N7/c1-28(2,19-33)20-8-10-21(11-9-20)35-25-22-12-17-38(26-23(29(30,31)32)7-6-14-34-26)18-13-24(22)36-27(37-25)39-15-4-3-5-16-39/h6-11,14H,3-5,12-13,15-18H2,1-2H3,(H,35,36,37)
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n/an/a 18n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 assessed as inhibition of capsaicin-induced in intracellular calcium levels by cell-based FLIPR assay

Bioorg Med Chem Lett 20: 7137-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.023
BindingDB Entry DOI: 10.7270/Q29W0FQ5
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50331154
PNG
(CHEMBL1290584 | N-(4-tert-butylphenyl)-2-isopropyl...)
Show SMILES CC(C)c1nc2CN(CCc2c(Nc2ccc(cc2)C(C)(C)C)n1)c1ncccc1C(F)(F)F
Show InChI InChI=1S/C26H30F3N5/c1-16(2)22-32-21-15-34(24-20(26(27,28)29)7-6-13-30-24)14-12-19(21)23(33-22)31-18-10-8-17(9-11-18)25(3,4)5/h6-11,13,16H,12,14-15H2,1-5H3,(H,31,32,33)
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n/an/a 18n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 assessed as inhibition of capsaicin-induced in intracellular calcium levels by cell-based FLIPR assay

Bioorg Med Chem Lett 20: 7137-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.023
BindingDB Entry DOI: 10.7270/Q29W0FQ5
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50331117
PNG
(2-thiomorpholino-N-(4-(trifluoromethyl)phenyl)-7-(...)
Show SMILES FC(F)(F)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCSCC2)cc1
Show InChI InChI=1S/C25H24F6N6S/c26-24(27,28)16-3-5-17(6-4-16)33-21-18-7-10-36(22-19(25(29,30)31)2-1-9-32-22)11-8-20(18)34-23(35-21)37-12-14-38-15-13-37/h1-6,9H,7-8,10-15H2,(H,33,34,35)
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n/an/a 19n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 assessed as inhibition of capsaicin-induced in intracellular calcium levels by cell-based FLIPR assay

Bioorg Med Chem Lett 20: 7137-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.023
BindingDB Entry DOI: 10.7270/Q29W0FQ5
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM20461
PNG
((6E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methy...)
Show SMILES COc1cc(CNC(=O)CCCC\C=C\C(C)C)ccc1O
Show InChI InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6+
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n/an/a 19n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Binding affinity to rat TRPV1

Bioorg Med Chem Lett 20: 7137-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.023
BindingDB Entry DOI: 10.7270/Q29W0FQ5
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50331124
PNG
(2-(piperidin-1-yl)-N-(5-(trifluoromethyl)pyrazin-2...)
Show SMILES FC(F)(F)c1cnc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCCCC2)cn1
Show InChI InChI=1S/C24H24F6N8/c25-23(26,27)16-5-4-8-31-21(16)37-11-6-15-17(7-12-37)34-22(38-9-2-1-3-10-38)36-20(15)35-19-14-32-18(13-33-19)24(28,29)30/h4-5,8,13-14H,1-3,6-7,9-12H2,(H,33,34,35,36)
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n/an/a 21n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 assessed as inhibition of capsaicin-induced in intracellular calcium levels by cell-based FLIPR assay

Bioorg Med Chem Lett 20: 7137-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.023
BindingDB Entry DOI: 10.7270/Q29W0FQ5
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50331157
PNG
(CHEMBL1290704 | N-(4-tert-butylphenyl)-7-(3-(trifl...)
Show SMILES CC(C)(C)c1ccc(Nc2ncnc3CCN(CCc23)c2ncccc2C(F)(F)F)cc1
Show InChI InChI=1S/C24H26F3N5/c1-23(2,3)16-6-8-17(9-7-16)31-21-18-10-13-32(14-11-20(18)29-15-30-21)22-19(24(25,26)27)5-4-12-28-22/h4-9,12,15H,10-11,13-14H2,1-3H3,(H,29,30,31)
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n/an/a 25n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 assessed as inhibition of capsaicin-induced in intracellular calcium levels by cell-based FLIPR assay

Bioorg Med Chem Lett 20: 7137-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.023
BindingDB Entry DOI: 10.7270/Q29W0FQ5
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50331137
PNG
(CHEMBL1289818 | N,N-dimethyl-4-(2-(piperidin-1-yl)...)
Show SMILES CN(C)S(=O)(=O)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCCCC2)cc1
Show InChI InChI=1S/C27H32F3N7O2S/c1-35(2)40(38,39)20-10-8-19(9-11-20)32-24-21-12-17-36(25-22(27(28,29)30)7-6-14-31-25)18-13-23(21)33-26(34-24)37-15-4-3-5-16-37/h6-11,14H,3-5,12-13,15-18H2,1-2H3,(H,32,33,34)
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n/an/a 25n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 assessed as inhibition of capsaicin-induced in intracellular calcium levels by cell-based FLIPR assay

Bioorg Med Chem Lett 20: 7137-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.023
BindingDB Entry DOI: 10.7270/Q29W0FQ5
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50331160
PNG
(2-cyclopropyl-N-(4-(trifluoromethyl)phenyl)-7-(3-(...)
Show SMILES FC(F)(F)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)C2CC2)cc1
Show InChI InChI=1S/C24H21F6N5/c25-23(26,27)15-5-7-16(8-6-15)32-21-17-9-12-35(22-18(24(28,29)30)2-1-11-31-22)13-10-19(17)33-20(34-21)14-3-4-14/h1-2,5-8,11,14H,3-4,9-10,12-13H2,(H,32,33,34)
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n/an/a 31n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 assessed as inhibition of capsaicin-induced in intracellular calcium levels by cell-based FLIPR assay

Bioorg Med Chem Lett 20: 7137-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.023
BindingDB Entry DOI: 10.7270/Q29W0FQ5
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50331111
PNG
(2-phenyl-N-(4-(trifluoromethyl)phenyl)-7-(3-(trifl...)
Show SMILES FC(F)(F)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)-c2ccccc2)cc1
Show InChI InChI=1S/C27H21F6N5/c28-26(29,30)18-8-10-19(11-9-18)35-24-20-12-15-38(25-21(27(31,32)33)7-4-14-34-25)16-13-22(20)36-23(37-24)17-5-2-1-3-6-17/h1-11,14H,12-13,15-16H2,(H,35,36,37)
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n/an/a 37n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 assessed as inhibition of capsaicin-induced in intracellular calcium levels by cell-based FLIPR assay

Bioorg Med Chem Lett 20: 7137-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.023
BindingDB Entry DOI: 10.7270/Q29W0FQ5
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50331132
PNG
(2-methyl-2-(4-(2-morpholino-7-(3-(trifluoromethyl)...)
Show SMILES CC(C)(C#N)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCOCC2)cc1
Show InChI InChI=1S/C28H30F3N7O/c1-27(2,18-32)19-5-7-20(8-6-19)34-24-21-9-12-37(25-22(28(29,30)31)4-3-11-33-25)13-10-23(21)35-26(36-24)38-14-16-39-17-15-38/h3-8,11H,9-10,12-17H2,1-2H3,(H,34,35,36)
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n/an/a 37n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 assessed as inhibition of capsaicin-induced in intracellular calcium levels by cell-based FLIPR assay

Bioorg Med Chem Lett 20: 7137-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.023
BindingDB Entry DOI: 10.7270/Q29W0FQ5
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50331122
PNG
(2-morpholino-7-(3-(trifluoromethyl)pyridin-2-yl)-N...)
Show SMILES FC(F)(F)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCOCC2)nc1
Show InChI InChI=1S/C24H23F6N7O/c25-23(26,27)15-3-4-19(32-14-15)34-20-16-5-8-36(21-17(24(28,29)30)2-1-7-31-21)9-6-18(16)33-22(35-20)37-10-12-38-13-11-37/h1-4,7,14H,5-6,8-13H2,(H,32,33,34,35)
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n/an/a 38n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 assessed as inhibition of capsaicin-induced in intracellular calcium levels by cell-based FLIPR assay

Bioorg Med Chem Lett 20: 7137-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.023
BindingDB Entry DOI: 10.7270/Q29W0FQ5
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50331121
PNG
(2-(piperidin-1-yl)-7-(3-(trifluoromethyl)pyridin-2...)
Show SMILES FC(F)(F)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCCCC2)nc1
Show InChI InChI=1S/C25H25F6N7/c26-24(27,28)16-6-7-20(33-15-16)35-21-17-8-13-37(22-18(25(29,30)31)5-4-10-32-22)14-9-19(17)34-23(36-21)38-11-2-1-3-12-38/h4-7,10,15H,1-3,8-9,11-14H2,(H,33,34,35,36)
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n/an/a 43n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 assessed as inhibition of capsaicin-induced in intracellular calcium levels by cell-based FLIPR assay

Bioorg Med Chem Lett 20: 7137-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.023
BindingDB Entry DOI: 10.7270/Q29W0FQ5
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50331110
PNG
(2-isopropyl-N-(4-(trifluoromethyl)phenyl)-7-(3-(tr...)
Show SMILES CC(C)c1nc2CCN(CCc2c(Nc2ccc(cc2)C(F)(F)F)n1)c1ncccc1C(F)(F)F
Show InChI InChI=1S/C24H23F6N5/c1-14(2)20-33-19-10-13-35(22-18(24(28,29)30)4-3-11-31-22)12-9-17(19)21(34-20)32-16-7-5-15(6-8-16)23(25,26)27/h3-8,11,14H,9-10,12-13H2,1-2H3,(H,32,33,34)
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n/an/a 51n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 assessed as inhibition of capsaicin-induced in intracellular calcium levels by cell-based FLIPR assay

Bioorg Med Chem Lett 20: 7137-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.023
BindingDB Entry DOI: 10.7270/Q29W0FQ5
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50331138
PNG
(CHEMBL1289934 | N,N-dimethyl-4-(2-morpholino-7-(3-...)
Show SMILES CN(C)S(=O)(=O)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCOCC2)cc1
Show InChI InChI=1S/C26H30F3N7O3S/c1-34(2)40(37,38)19-7-5-18(6-8-19)31-23-20-9-12-35(24-21(26(27,28)29)4-3-11-30-24)13-10-22(20)32-25(33-23)36-14-16-39-17-15-36/h3-8,11H,9-10,12-17H2,1-2H3,(H,31,32,33)
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n/an/a 52n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 assessed as inhibition of capsaicin-induced in intracellular calcium levels by cell-based FLIPR assay

Bioorg Med Chem Lett 20: 7137-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.023
BindingDB Entry DOI: 10.7270/Q29W0FQ5
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50331113
PNG
(CHEMBL1289383 | N2,N2-dimethyl-N4-(4-(trifluoromet...)
Show SMILES CN(C)c1nc2CCN(CCc2c(Nc2ccc(cc2)C(F)(F)F)n1)c1ncccc1C(F)(F)F
Show InChI InChI=1S/C23H22F6N6/c1-34(2)21-32-18-10-13-35(20-17(23(27,28)29)4-3-11-30-20)12-9-16(18)19(33-21)31-15-7-5-14(6-8-15)22(24,25)26/h3-8,11H,9-10,12-13H2,1-2H3,(H,31,32,33)
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n/an/a 56n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 assessed as inhibition of capsaicin-induced in intracellular calcium levels by cell-based FLIPR assay

Bioorg Med Chem Lett 20: 7137-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.023
BindingDB Entry DOI: 10.7270/Q29W0FQ5
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50331129
PNG
(2-(4-(2-morpholino-7-(3-(trifluoromethyl)pyridin-2...)
Show SMILES CC(C)(O)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCOCC2)cc1
Show InChI InChI=1S/C27H31F3N6O2/c1-26(2,37)18-5-7-19(8-6-18)32-23-20-9-12-35(24-21(27(28,29)30)4-3-11-31-24)13-10-22(20)33-25(34-23)36-14-16-38-17-15-36/h3-8,11,37H,9-10,12-17H2,1-2H3,(H,32,33,34)
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n/an/a 56n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 assessed as inhibition of capsaicin-induced in intracellular calcium levels by cell-based FLIPR assay

Bioorg Med Chem Lett 20: 7137-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.023
BindingDB Entry DOI: 10.7270/Q29W0FQ5
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50331134
PNG
(2-methyl-2-(4-(2-(piperidin-1-yl)-7-(3-(trifluorom...)
Show SMILES CC(C)(C(O)=O)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCCCC2)cc1
Show InChI InChI=1S/C29H33F3N6O2/c1-28(2,26(39)40)19-8-10-20(11-9-19)34-24-21-12-17-37(25-22(29(30,31)32)7-6-14-33-25)18-13-23(21)35-27(36-24)38-15-4-3-5-16-38/h6-11,14H,3-5,12-13,15-18H2,1-2H3,(H,39,40)(H,34,35,36)
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n/an/a 58n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 assessed as inhibition of capsaicin-induced in intracellular calcium levels by cell-based FLIPR assay

Bioorg Med Chem Lett 20: 7137-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.023
BindingDB Entry DOI: 10.7270/Q29W0FQ5
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50331115
PNG
(2-(pyrrolidin-1-yl)-N-(4-(trifluoromethyl)phenyl)-...)
Show SMILES FC(F)(F)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCCC2)cc1
Show InChI InChI=1S/C25H24F6N6/c26-24(27,28)16-5-7-17(8-6-16)33-21-18-9-14-36(22-19(25(29,30)31)4-3-11-32-22)15-10-20(18)34-23(35-21)37-12-1-2-13-37/h3-8,11H,1-2,9-10,12-15H2,(H,33,34,35)
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n/an/a 61n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 assessed as inhibition of capsaicin-induced in intracellular calcium levels by cell-based FLIPR assay

Bioorg Med Chem Lett 20: 7137-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.023
BindingDB Entry DOI: 10.7270/Q29W0FQ5
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50331123
PNG
(2-isopropyl-N-(5-(trifluoromethyl)pyrazin-2-yl)-7-...)
Show SMILES CC(C)c1nc2CCN(CCc2c(Nc2cnc(cn2)C(F)(F)F)n1)c1ncccc1C(F)(F)F
Show InChI InChI=1S/C22H21F6N7/c1-12(2)18-32-15-6-9-35(20-14(21(23,24)25)4-3-7-29-20)8-5-13(15)19(34-18)33-17-11-30-16(10-31-17)22(26,27)28/h3-4,7,10-12H,5-6,8-9H2,1-2H3,(H,31,32,33,34)
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n/an/a 70n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 assessed as inhibition of capsaicin-induced in intracellular calcium levels by cell-based FLIPR assay

Bioorg Med Chem Lett 20: 7137-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.023
BindingDB Entry DOI: 10.7270/Q29W0FQ5
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50331153
PNG
(CHEMBL1290478 | N-(4-tert-butylphenyl)-2-methyl-7-...)
Show SMILES Cc1nc2CN(CCc2c(Nc2ccc(cc2)C(C)(C)C)n1)c1ncccc1C(F)(F)F
Show InChI InChI=1S/C24H26F3N5/c1-15-29-20-14-32(22-19(24(25,26)27)6-5-12-28-22)13-11-18(20)21(30-15)31-17-9-7-16(8-10-17)23(2,3)4/h5-10,12H,11,13-14H2,1-4H3,(H,29,30,31)
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n/an/a 80n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 assessed as inhibition of capsaicin-induced in intracellular calcium levels by cell-based FLIPR assay

Bioorg Med Chem Lett 20: 7137-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.023
BindingDB Entry DOI: 10.7270/Q29W0FQ5
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50331114
PNG
(2-(azetidin-1-yl)-N-(4-(trifluoromethyl)phenyl)-7-...)
Show SMILES FC(F)(F)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCC2)cc1
Show InChI InChI=1S/C24H22F6N6/c25-23(26,27)15-4-6-16(7-5-15)32-20-17-8-13-35(21-18(24(28,29)30)3-1-10-31-21)14-9-19(17)33-22(34-20)36-11-2-12-36/h1,3-7,10H,2,8-9,11-14H2,(H,32,33,34)
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n/an/a 87n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 assessed as inhibition of capsaicin-induced in intracellular calcium levels by cell-based FLIPR assay

Bioorg Med Chem Lett 20: 7137-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.023
BindingDB Entry DOI: 10.7270/Q29W0FQ5
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50331159
PNG
(2-methyl-N-(4-(trifluoromethyl)phenyl)-7-(3-(trifl...)
Show SMILES Cc1nc2CCN(CCc2c(Nc2ccc(cc2)C(F)(F)F)n1)c1ncccc1C(F)(F)F
Show InChI InChI=1S/C22H19F6N5/c1-13-30-18-9-12-33(20-17(22(26,27)28)3-2-10-29-20)11-8-16(18)19(31-13)32-15-6-4-14(5-7-15)21(23,24)25/h2-7,10H,8-9,11-12H2,1H3,(H,30,31,32)
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n/an/a 97n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 assessed as inhibition of capsaicin-induced in intracellular calcium levels by cell-based FLIPR assay

Bioorg Med Chem Lett 20: 7137-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.023
BindingDB Entry DOI: 10.7270/Q29W0FQ5
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50331120
PNG
(2-isopropyl-7-(3-(trifluoromethyl)pyridin-2-yl)-N-...)
Show SMILES CC(C)c1nc2CCN(CCc2c(Nc2ccc(cn2)C(F)(F)F)n1)c1ncccc1C(F)(F)F
Show InChI InChI=1S/C23H22F6N6/c1-13(2)19-32-17-8-11-35(21-16(23(27,28)29)4-3-9-30-21)10-7-15(17)20(34-19)33-18-6-5-14(12-31-18)22(24,25)26/h3-6,9,12-13H,7-8,10-11H2,1-2H3,(H,31,32,33,34)
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n/an/a 130n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 assessed as inhibition of capsaicin-induced in intracellular calcium levels by cell-based FLIPR assay

Bioorg Med Chem Lett 20: 7137-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.023
BindingDB Entry DOI: 10.7270/Q29W0FQ5
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50212311
PNG
(4-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluor...)
Show SMILES FC(F)(F)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2C(F)(F)F)nc1
Show InChI InChI=1S/C17H15F6N5O/c18-16(19,20)11-3-4-13(25-10-11)26-15(29)28-8-6-27(7-9-28)14-12(17(21,22)23)2-1-5-24-14/h1-5,10H,6-9H2,(H,25,26,29)
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n/an/a 160n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 assessed as inhibition of capsaicin-induced in intracellular calcium levels by cell-based FLIPR assay

Bioorg Med Chem Lett 20: 7137-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.023
BindingDB Entry DOI: 10.7270/Q29W0FQ5
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50331148
PNG
(CHEMBL1290588 | methyl 5-chloro-6-(2-morpholino-4-...)
Show SMILES COC(=O)c1cnc(N2CCc3nc(nc(Nc4ccc(cc4)C(F)(F)F)c3CC2)N2CCOCC2)c(Cl)c1
Show InChI InChI=1S/C26H26ClF3N6O3/c1-38-24(37)16-14-20(27)23(31-15-16)35-8-6-19-21(7-9-35)33-25(36-10-12-39-13-11-36)34-22(19)32-18-4-2-17(3-5-18)26(28,29)30/h2-5,14-15H,6-13H2,1H3,(H,32,33,34)
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n/an/a 176n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 assessed as inhibition of capsaicin-induced in intracellular calcium levels by cell-based FLIPR assay

Bioorg Med Chem Lett 20: 7137-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.023
BindingDB Entry DOI: 10.7270/Q29W0FQ5
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM50052442
PNG
((4-Hydroxy-3-methoxy-phenyl)-acetic acid (2R,3S,3a...)
Show SMILES COc1cc(CC(=O)OCC2=C[C@H]3[C@H]4O[C@]5(Cc6ccccc6)O[C@]4(C[C@@H](C)[C@]3(O5)[C@@H]3C=C(C)C(=O)[C@@]3(O)C2)C(C)=C)ccc1O |r,t:10,35,THB:23:15:26.25.24:12|
Show InChI InChI=1S/C37H40O9/c1-21(2)35-17-23(4)37-27(33(35)44-36(45-35,46-37)19-24-9-7-6-8-10-24)14-26(18-34(41)30(37)13-22(3)32(34)40)20-43-31(39)16-25-11-12-28(38)29(15-25)42-5/h6-15,23,27,30,33,38,41H,1,16-20H2,2-5H3/t23-,27+,30-,33-,34-,35-,36-,37-/m1/s1
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n/an/a 180n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Binding affinity to rat TRPV1

Bioorg Med Chem Lett 20: 7137-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.023
BindingDB Entry DOI: 10.7270/Q29W0FQ5
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50331127
PNG
(2-(4-(2-isopropyl-7-(3-(trifluoromethyl)pyridin-2-...)
Show SMILES CC(C)c1nc2CCN(CCc2c(Nc2ccc(cc2)C(C)(C)O)n1)c1ncccc1C(F)(F)F
Show InChI InChI=1S/C26H30F3N5O/c1-16(2)22-32-21-12-15-34(24-20(26(27,28)29)6-5-13-30-24)14-11-19(21)23(33-22)31-18-9-7-17(8-10-18)25(3,4)35/h5-10,13,16,35H,11-12,14-15H2,1-4H3,(H,31,32,33)
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n/an/a 180n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 assessed as inhibition of capsaicin-induced in intracellular calcium levels by cell-based FLIPR assay

Bioorg Med Chem Lett 20: 7137-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.023
BindingDB Entry DOI: 10.7270/Q29W0FQ5
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50331158
PNG
(CHEMBL1289034 | N-(4-(trifluoromethyl)phenyl)-7-(3...)
Show SMILES FC(F)(F)c1ccc(Nc2ncnc3CCN(CCc23)c2ncccc2C(F)(F)F)cc1
Show InChI InChI=1S/C21H17F6N5/c22-20(23,24)13-3-5-14(6-4-13)31-18-15-7-10-32(11-8-17(15)29-12-30-18)19-16(21(25,26)27)2-1-9-28-19/h1-6,9,12H,7-8,10-11H2,(H,29,30,31)
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n/an/a 188n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 assessed as inhibition of capsaicin-induced in intracellular calcium levels by cell-based FLIPR assay

Bioorg Med Chem Lett 20: 7137-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.023
BindingDB Entry DOI: 10.7270/Q29W0FQ5
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50331135
PNG
(2-methyl-2-(4-(2-morpholino-7-(3-(trifluoromethyl)...)
Show SMILES CC(C)(C(O)=O)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCOCC2)cc1
Show InChI InChI=1S/C28H31F3N6O3/c1-27(2,25(38)39)18-5-7-19(8-6-18)33-23-20-9-12-36(24-21(28(29,30)31)4-3-11-32-24)13-10-22(20)34-26(35-23)37-14-16-40-17-15-37/h3-8,11H,9-10,12-17H2,1-2H3,(H,38,39)(H,33,34,35)
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n/an/a 230n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 assessed as inhibition of capsaicin-induced in intracellular calcium levels by cell-based FLIPR assay

Bioorg Med Chem Lett 20: 7137-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.023
BindingDB Entry DOI: 10.7270/Q29W0FQ5
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50331128
PNG
(2-(4-(2-(piperidin-1-yl)-7-(3-(trifluoromethyl)pyr...)
Show SMILES CC(C)(O)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCCCC2)cc1
Show InChI InChI=1S/C28H33F3N6O/c1-27(2,38)19-8-10-20(11-9-19)33-24-21-12-17-36(25-22(28(29,30)31)7-6-14-32-25)18-13-23(21)34-26(35-24)37-15-4-3-5-16-37/h6-11,14,38H,3-5,12-13,15-18H2,1-2H3,(H,33,34,35)
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n/an/a 361n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 assessed as inhibition of capsaicin-induced in intracellular calcium levels by cell-based FLIPR assay

Bioorg Med Chem Lett 20: 7137-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.023
BindingDB Entry DOI: 10.7270/Q29W0FQ5
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50331146
PNG
(2-(2-(piperidin-1-yl)-4-(4-(trifluoromethyl)phenyl...)
Show SMILES NS(=O)(=O)c1cccnc1N1CCc2nc(nc(Nc3ccc(cc3)C(F)(F)F)c2CC1)N1CCCCC1
Show InChI InChI=1S/C25H28F3N7O2S/c26-25(27,28)17-6-8-18(9-7-17)31-22-19-10-15-34(23-21(38(29,36)37)5-4-12-30-23)16-11-20(19)32-24(33-22)35-13-2-1-3-14-35/h4-9,12H,1-3,10-11,13-16H2,(H2,29,36,37)(H,31,32,33)
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n/an/a 449n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 assessed as inhibition of capsaicin-induced in intracellular calcium levels by cell-based FLIPR assay

Bioorg Med Chem Lett 20: 7137-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.023
BindingDB Entry DOI: 10.7270/Q29W0FQ5
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50331147
PNG
(5-chloro-6-(2-(piperidin-1-yl)-4-(4-(trifluorometh...)
Show SMILES OC(=O)c1cnc(N2CCc3nc(nc(Nc4ccc(cc4)C(F)(F)F)c3CC2)N2CCCCC2)c(Cl)c1
Show InChI InChI=1S/C26H26ClF3N6O2/c27-20-14-16(24(37)38)15-31-23(20)35-12-8-19-21(9-13-35)33-25(36-10-2-1-3-11-36)34-22(19)32-18-6-4-17(5-7-18)26(28,29)30/h4-7,14-15H,1-3,8-13H2,(H,37,38)(H,32,33,34)
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n/an/a 462n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 assessed as inhibition of capsaicin-induced in intracellular calcium levels by cell-based FLIPR assay

Bioorg Med Chem Lett 20: 7137-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.023
BindingDB Entry DOI: 10.7270/Q29W0FQ5
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50331151
PNG
(CHEMBL1290370 | N-(3-tert-butylphenyl)-7-(3-(trifl...)
Show SMILES CC(C)(C)c1cccc(Nc2ncnc3CN(CCc23)c2ncccc2C(F)(F)F)c1
Show InChI InChI=1S/C23H24F3N5/c1-22(2,3)15-6-4-7-16(12-15)30-20-17-9-11-31(13-19(17)28-14-29-20)21-18(23(24,25)26)8-5-10-27-21/h4-8,10,12,14H,9,11,13H2,1-3H3,(H,28,29,30)
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n/an/a 520n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 assessed as inhibition of capsaicin-induced in intracellular calcium levels by cell-based FLIPR assay

Bioorg Med Chem Lett 20: 7137-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.023
BindingDB Entry DOI: 10.7270/Q29W0FQ5
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50331130
PNG
(2-(6-((2-isopropyl-7-(3-(trifluoromethyl)pyridin-2...)
Show SMILES CC(C)c1nc(Cc2ccc(cn2)C(C)(C)C#N)c2CCN(CCc2n1)c1ncccc1C(F)(F)F
Show InChI InChI=1S/C27H29F3N6/c1-17(2)24-34-22-10-13-36(25-21(27(28,29)30)6-5-11-32-25)12-9-20(22)23(35-24)14-19-8-7-18(15-33-19)26(3,4)16-31/h5-8,11,15,17H,9-10,12-14H2,1-4H3
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n/an/a 580n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 assessed as inhibition of capsaicin-induced in intracellular calcium levels by cell-based FLIPR assay

Bioorg Med Chem Lett 20: 7137-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.023
BindingDB Entry DOI: 10.7270/Q29W0FQ5
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50331140
PNG
(7-(3-chloropyridin-2-yl)-N-(4-(trifluoromethyl)phe...)
Show SMILES FC(F)(F)c1ccc(Nc2ncnc3CCN(CCc23)c2ncccc2Cl)cc1
Show InChI InChI=1S/C20H17ClF3N5/c21-16-2-1-9-25-19(16)29-10-7-15-17(8-11-29)26-12-27-18(15)28-14-5-3-13(4-6-14)20(22,23)24/h1-6,9,12H,7-8,10-11H2,(H,26,27,28)
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n/an/a 907n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 assessed as inhibition of capsaicin-induced in intracellular calcium levels by cell-based FLIPR assay

Bioorg Med Chem Lett 20: 7137-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.023
BindingDB Entry DOI: 10.7270/Q29W0FQ5
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50331112
PNG
(CHEMBL1289265 | N4-(4-(trifluoromethyl)phenyl)-7-(...)
Show SMILES Nc1nc2CCN(CCc2c(Nc2ccc(cc2)C(F)(F)F)n1)c1ncccc1C(F)(F)F
Show InChI InChI=1S/C21H18F6N6/c22-20(23,24)12-3-5-13(6-4-12)30-17-14-7-10-33(11-8-16(14)31-19(28)32-17)18-15(21(25,26)27)2-1-9-29-18/h1-6,9H,7-8,10-11H2,(H3,28,30,31,32)
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n/an/a 1.06E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 assessed as inhibition of capsaicin-induced in intracellular calcium levels by cell-based FLIPR assay

Bioorg Med Chem Lett 20: 7137-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.023
BindingDB Entry DOI: 10.7270/Q29W0FQ5
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50331133
PNG
(2-(4-(2-isopropyl-7-(3-(trifluoromethyl)pyridin-2-...)
Show SMILES CC(C)c1nc2CCN(CCc2c(Nc2ccc(cc2)C(C)(C)C(O)=O)n1)c1ncccc1C(F)(F)F
Show InChI InChI=1S/C27H30F3N5O2/c1-16(2)22-33-21-12-15-35(24-20(27(28,29)30)6-5-13-31-24)14-11-19(21)23(34-22)32-18-9-7-17(8-10-18)26(3,4)25(36)37/h5-10,13,16H,11-12,14-15H2,1-4H3,(H,36,37)(H,32,33,34)
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n/an/a 1.45E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 assessed as inhibition of capsaicin-induced in intracellular calcium levels by cell-based FLIPR assay

Bioorg Med Chem Lett 20: 7137-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.023
BindingDB Entry DOI: 10.7270/Q29W0FQ5
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50331149
PNG
(CHEMBL1290254 | N-(3-(trifluoromethyl)phenyl)-7-(3...)
Show SMILES FC(F)(F)c1cccc(Nc2ncnc3CN(CCc23)c2ncccc2C(F)(F)F)c1
Show InChI InChI=1S/C20H15F6N5/c21-19(22,23)12-3-1-4-13(9-12)30-17-14-6-8-31(10-16(14)28-11-29-17)18-15(20(24,25)26)5-2-7-27-18/h1-5,7,9,11H,6,8,10H2,(H,28,29,30)
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n/an/a 1.45E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 assessed as inhibition of capsaicin-induced in intracellular calcium levels by cell-based FLIPR assay

Bioorg Med Chem Lett 20: 7137-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.023
BindingDB Entry DOI: 10.7270/Q29W0FQ5
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50331144
PNG
(2-isopropyl-7-(3-(methylsulfonyl)pyridin-2-yl)-N-(...)
Show SMILES CC(C)c1nc2CCN(CCc2c(Nc2ccc(cc2)C(F)(F)F)n1)c1ncccc1S(C)(=O)=O
Show InChI InChI=1S/C24H26F3N5O2S/c1-15(2)21-30-19-11-14-32(23-20(35(3,33)34)5-4-12-28-23)13-10-18(19)22(31-21)29-17-8-6-16(7-9-17)24(25,26)27/h4-9,12,15H,10-11,13-14H2,1-3H3,(H,29,30,31)
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n/an/a 1.94E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 assessed as inhibition of capsaicin-induced in intracellular calcium levels by cell-based FLIPR assay

Bioorg Med Chem Lett 20: 7137-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.023
BindingDB Entry DOI: 10.7270/Q29W0FQ5
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50331156
PNG
(CHEMBL1290703 | N-(4-tert-butylphenyl)-8-(3-(trifl...)
Show SMILES CC(C)(C)c1ccc(Nc2ncnc3CN(CCCc23)c2ncccc2C(F)(F)F)cc1
Show InChI InChI=1S/C24H26F3N5/c1-23(2,3)16-8-10-17(11-9-16)31-21-18-6-5-13-32(14-20(18)29-15-30-21)22-19(24(25,26)27)7-4-12-28-22/h4,7-12,15H,5-6,13-14H2,1-3H3,(H,29,30,31)
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n/an/a 2.04E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 assessed as inhibition of capsaicin-induced in intracellular calcium levels by cell-based FLIPR assay

Bioorg Med Chem Lett 20: 7137-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.023
BindingDB Entry DOI: 10.7270/Q29W0FQ5
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50331141
PNG
(7-(3-(methylsulfonyl)pyridin-2-yl)-N-(4-(trifluoro...)
Show SMILES CS(=O)(=O)c1cccnc1N1CCc2ncnc(Nc3ccc(cc3)C(F)(F)F)c2CC1
Show InChI InChI=1S/C21H20F3N5O2S/c1-32(30,31)18-3-2-10-25-20(18)29-11-8-16-17(9-12-29)26-13-27-19(16)28-15-6-4-14(5-7-15)21(22,23)24/h2-7,10,13H,8-9,11-12H2,1H3,(H,26,27,28)
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n/an/a 2.33E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 assessed as inhibition of capsaicin-induced in intracellular calcium levels by cell-based FLIPR assay

Bioorg Med Chem Lett 20: 7137-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.023
BindingDB Entry DOI: 10.7270/Q29W0FQ5
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50331143
PNG
(2-(4-(4-(trifluoromethyl)phenylamino)-8,9-dihydro-...)
Show SMILES NC(=O)c1cccnc1N1CCc2ncnc(Nc3ccc(cc3)C(F)(F)F)c2CC1
Show InChI InChI=1S/C21H19F3N6O/c22-21(23,24)13-3-5-14(6-4-13)29-19-15-7-10-30(11-8-17(15)27-12-28-19)20-16(18(25)31)2-1-9-26-20/h1-6,9,12H,7-8,10-11H2,(H2,25,31)(H,27,28,29)
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n/an/a 2.36E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 assessed as inhibition of capsaicin-induced in intracellular calcium levels by cell-based FLIPR assay

Bioorg Med Chem Lett 20: 7137-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.023
BindingDB Entry DOI: 10.7270/Q29W0FQ5
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50331125
PNG
(2-isopropyl-N-(6-methoxy-5-(trifluoromethyl)pyridi...)
Show SMILES COc1nc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)C(C)C)ccc1C(F)(F)F
Show InChI InChI=1S/C24H24F6N6O/c1-13(2)19-32-17-9-12-36(21-15(23(25,26)27)5-4-10-31-21)11-8-14(17)20(35-19)33-18-7-6-16(24(28,29)30)22(34-18)37-3/h4-7,10,13H,8-9,11-12H2,1-3H3,(H,32,33,34,35)
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n/an/a 2.46E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 assessed as inhibition of capsaicin-induced in intracellular calcium levels by cell-based FLIPR assay

Bioorg Med Chem Lett 20: 7137-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.023
BindingDB Entry DOI: 10.7270/Q29W0FQ5
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50331136
PNG
(4-(2-isopropyl-7-(3-(trifluoromethyl)pyridin-2-yl)...)
Show SMILES CC(C)c1nc2CCN(CCc2c(Nc2ccc(cc2)S(=O)(=O)N(C)C)n1)c1ncccc1C(F)(F)F
Show InChI InChI=1S/C25H29F3N6O2S/c1-16(2)22-31-21-12-15-34(24-20(25(26,27)28)6-5-13-29-24)14-11-19(21)23(32-22)30-17-7-9-18(10-8-17)37(35,36)33(3)4/h5-10,13,16H,11-12,14-15H2,1-4H3,(H,30,31,32)
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n/an/a 2.52E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 assessed as inhibition of capsaicin-induced in intracellular calcium levels by cell-based FLIPR assay

Bioorg Med Chem Lett 20: 7137-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.023
BindingDB Entry DOI: 10.7270/Q29W0FQ5
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50331142
PNG
(2-(4-(4-(trifluoromethyl)phenylamino)-8,9-dihydro-...)
Show SMILES NS(=O)(=O)c1cccnc1N1CCc2ncnc(Nc3ccc(cc3)C(F)(F)F)c2CC1
Show InChI InChI=1S/C20H19F3N6O2S/c21-20(22,23)13-3-5-14(6-4-13)28-18-15-7-10-29(11-8-16(15)26-12-27-18)19-17(32(24,30)31)2-1-9-25-19/h1-6,9,12H,7-8,10-11H2,(H2,24,30,31)(H,26,27,28)
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n/an/a 2.78E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 assessed as inhibition of capsaicin-induced in intracellular calcium levels by cell-based FLIPR assay

Bioorg Med Chem Lett 20: 7137-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.023
BindingDB Entry DOI: 10.7270/Q29W0FQ5
More data for this
Ligand-Target Pair
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