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Compile Data Set for Download or QSAR

Found 479 hits with Last Name = 'wickenden' and Initial = 'ad'   
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
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)
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50254419
PNG
(CHEMBL511391 | N2-(2,6-dichlorophenyl)-N7-(4-(pyrr...)
Show SMILES Clc1cccc(Cl)c1Nc1nc2c(Nc3ccc(cc3)S(=O)(=O)N3CCCC3)ncnc2s1
Show InChI InChI=1S/C21H18Cl2N6O2S2/c22-15-4-3-5-16(23)17(15)27-21-28-18-19(24-12-25-20(18)32-21)26-13-6-8-14(9-7-13)33(30,31)29-10-1-2-11-29/h3-9,12H,1-2,10-11H2,(H,27,28)(H,24,25,26)
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n/an/a 0.5n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced calcium flux


Bioorg Med Chem Lett 19: 40-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.024
BindingDB Entry DOI: 10.7270/Q28052G3
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50254080
PNG
((3,5-dichloro-4-(7-(4-(trifluoromethyl)phenylamino...)
Show SMILES OCc1cc(Cl)c(Nc2nc3c(Nc4ccc(cc4)C(F)(F)F)ncnc3s2)c(Cl)c1
Show InChI InChI=1S/C19H12Cl2F3N5OS/c20-12-5-9(7-30)6-13(21)14(12)28-18-29-15-16(25-8-26-17(15)31-18)27-11-3-1-10(2-4-11)19(22,23)24/h1-6,8,30H,7H2,(H,28,29)(H,25,26,27)
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n/an/a 0.5n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced calcium flux


Bioorg Med Chem Lett 19: 40-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.024
BindingDB Entry DOI: 10.7270/Q28052G3
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50254080
PNG
((3,5-dichloro-4-(7-(4-(trifluoromethyl)phenylamino...)
Show SMILES OCc1cc(Cl)c(Nc2nc3c(Nc4ccc(cc4)C(F)(F)F)ncnc3s2)c(Cl)c1
Show InChI InChI=1S/C19H12Cl2F3N5OS/c20-12-5-9(7-30)6-13(21)14(12)28-18-29-15-16(25-8-26-17(15)31-18)27-11-3-1-10(2-4-11)19(22,23)24/h1-6,8,30H,7H2,(H,28,29)(H,25,26,27)
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n/an/a 1n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced calcium flux


Bioorg Med Chem Lett 19: 40-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.024
BindingDB Entry DOI: 10.7270/Q28052G3
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50254419
PNG
(CHEMBL511391 | N2-(2,6-dichlorophenyl)-N7-(4-(pyrr...)
Show SMILES Clc1cccc(Cl)c1Nc1nc2c(Nc3ccc(cc3)S(=O)(=O)N3CCCC3)ncnc2s1
Show InChI InChI=1S/C21H18Cl2N6O2S2/c22-15-4-3-5-16(23)17(15)27-21-28-18-19(24-12-25-20(18)32-21)26-13-6-8-14(9-7-13)33(30,31)29-10-1-2-11-29/h3-9,12H,1-2,10-11H2,(H,27,28)(H,24,25,26)
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n/an/a 1n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced calcium flux


Bioorg Med Chem Lett 19: 40-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.024
BindingDB Entry DOI: 10.7270/Q28052G3
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50254077
PNG
(CHEMBL517566 | N2-(2,6-dichlorophenyl)-N5-isobutyl...)
Show SMILES CC(C)CNc1nc(Nc2ccc(cc2)C(F)(F)F)c2nc(Nc3c(Cl)cccc3Cl)sc2n1
Show InChI InChI=1S/C22H19Cl2F3N6S/c1-11(2)10-28-20-32-18(29-13-8-6-12(7-9-13)22(25,26)27)17-19(33-20)34-21(31-17)30-16-14(23)4-3-5-15(16)24/h3-9,11H,10H2,1-2H3,(H,30,31)(H2,28,29,32,33)
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n/an/a 1n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced calcium flux


Bioorg Med Chem Lett 19: 40-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.024
BindingDB Entry DOI: 10.7270/Q28052G3
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50254325
PNG
(CHEMBL469302 | N7-(4-tert-butylphenyl)-N2-(2,6-dic...)
Show SMILES CC(C)(C)c1ccc(Nc2ncnc3sc(Nc4c(Cl)cccc4Cl)nc23)cc1
Show InChI InChI=1S/C21H19Cl2N5S/c1-21(2,3)12-7-9-13(10-8-12)26-18-17-19(25-11-24-18)29-20(28-17)27-16-14(22)5-4-6-15(16)23/h4-11H,1-3H3,(H,27,28)(H,24,25,26)
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n/an/a 1n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced calcium flux


Bioorg Med Chem Lett 19: 40-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.024
BindingDB Entry DOI: 10.7270/Q28052G3
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50254154
PNG
(CHEMBL468470 | N2-(2-chloro-6-methylphenyl)-N7-(4-...)
Show SMILES Cc1cccc(Cl)c1Nc1nc2c(Nc3ccc(cc3)C(F)(F)F)ncnc2s1
Show InChI InChI=1S/C19H13ClF3N5S/c1-10-3-2-4-13(20)14(10)27-18-28-15-16(24-9-25-17(15)29-18)26-12-7-5-11(6-8-12)19(21,22)23/h2-9H,1H3,(H,27,28)(H,24,25,26)
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n/an/a 1.60n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced calcium flux


Bioorg Med Chem Lett 19: 40-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.024
BindingDB Entry DOI: 10.7270/Q28052G3
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50254421
PNG
(CHEMBL465990 | N7-(3-chloro-4-(trifluoromethyl)phe...)
Show SMILES Cc1nc(Nc2ccc(c(Cl)c2)C(F)(F)F)c2nc(Nc3c(Cl)cccc3Cl)sc2n1
Show InChI InChI=1S/C19H11Cl3F3N5S/c1-8-26-16(28-9-5-6-10(13(22)7-9)19(23,24)25)15-17(27-8)31-18(30-15)29-14-11(20)3-2-4-12(14)21/h2-7H,1H3,(H,29,30)(H,26,27,28)
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n/an/a 2n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced calcium flux


Bioorg Med Chem Lett 19: 40-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.024
BindingDB Entry DOI: 10.7270/Q28052G3
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50254077
PNG
(CHEMBL517566 | N2-(2,6-dichlorophenyl)-N5-isobutyl...)
Show SMILES CC(C)CNc1nc(Nc2ccc(cc2)C(F)(F)F)c2nc(Nc3c(Cl)cccc3Cl)sc2n1
Show InChI InChI=1S/C22H19Cl2F3N6S/c1-11(2)10-28-20-32-18(29-13-8-6-12(7-9-13)22(25,26)27)17-19(33-20)34-21(31-17)30-16-14(23)4-3-5-15(16)24/h3-9,11H,10H2,1-2H3,(H,30,31)(H2,28,29,32,33)
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n/an/a 2n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced calcium flux


Bioorg Med Chem Lett 19: 40-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.024
BindingDB Entry DOI: 10.7270/Q28052G3
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50254326
PNG
(2-(4-(2-(2,6-dichlorophenylamino)thiazolo[5,4-d]py...)
Show SMILES CC(C)(C(O)=O)c1ccc(Nc2ncnc3sc(Nc4c(Cl)cccc4Cl)nc23)cc1
Show InChI InChI=1S/C21H17Cl2N5O2S/c1-21(2,19(29)30)11-6-8-12(9-7-11)26-17-16-18(25-10-24-17)31-20(28-16)27-15-13(22)4-3-5-14(15)23/h3-10H,1-2H3,(H,27,28)(H,29,30)(H,24,25,26)
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n/an/a 2n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced calcium flux


Bioorg Med Chem Lett 19: 40-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.024
BindingDB Entry DOI: 10.7270/Q28052G3
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50254421
PNG
(CHEMBL465990 | N7-(3-chloro-4-(trifluoromethyl)phe...)
Show SMILES Cc1nc(Nc2ccc(c(Cl)c2)C(F)(F)F)c2nc(Nc3c(Cl)cccc3Cl)sc2n1
Show InChI InChI=1S/C19H11Cl3F3N5S/c1-8-26-16(28-9-5-6-10(13(22)7-9)19(23,24)25)15-17(27-8)31-18(30-15)29-14-11(20)3-2-4-12(14)21/h2-7H,1H3,(H,29,30)(H,26,27,28)
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n/an/a 3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced calcium flux


Bioorg Med Chem Lett 19: 40-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.024
BindingDB Entry DOI: 10.7270/Q28052G3
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50254078
PNG
(CHEMBL460373 | N5-(cyclopropylmethyl)-N2-(2,6-dich...)
Show SMILES FC(F)(F)c1ccc(Nc2nc(NCC3CC3)nc3sc(Nc4c(Cl)cccc4Cl)nc23)cc1
Show InChI InChI=1S/C22H17Cl2F3N6S/c23-14-2-1-3-15(24)16(14)30-21-31-17-18(29-13-8-6-12(7-9-13)22(25,26)27)32-20(33-19(17)34-21)28-10-11-4-5-11/h1-3,6-9,11H,4-5,10H2,(H,30,31)(H2,28,29,32,33)
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n/an/a 3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced calcium flux


Bioorg Med Chem Lett 19: 40-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.024
BindingDB Entry DOI: 10.7270/Q28052G3
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50254376
PNG
(CHEMBL467851 | N2-(2,6-dichlorophenyl)-N7-(4-(meth...)
Show SMILES CS(=O)(=O)c1ccc(Nc2ncnc3sc(Nc4c(Cl)cccc4Cl)nc23)cc1
Show InChI InChI=1S/C18H13Cl2N5O2S2/c1-29(26,27)11-7-5-10(6-8-11)23-16-15-17(22-9-21-16)28-18(25-15)24-14-12(19)3-2-4-13(14)20/h2-9H,1H3,(H,24,25)(H,21,22,23)
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n/an/a 3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced calcium flux


Bioorg Med Chem Lett 19: 40-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.024
BindingDB Entry DOI: 10.7270/Q28052G3
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50254078
PNG
(CHEMBL460373 | N5-(cyclopropylmethyl)-N2-(2,6-dich...)
Show SMILES FC(F)(F)c1ccc(Nc2nc(NCC3CC3)nc3sc(Nc4c(Cl)cccc4Cl)nc23)cc1
Show InChI InChI=1S/C22H17Cl2F3N6S/c23-14-2-1-3-15(24)16(14)30-21-31-17-18(29-13-8-6-12(7-9-13)22(25,26)27)32-20(33-19(17)34-21)28-10-11-4-5-11/h1-3,6-9,11H,4-5,10H2,(H,30,31)(H2,28,29,32,33)
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Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced calcium flux


Bioorg Med Chem Lett 19: 40-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.024
BindingDB Entry DOI: 10.7270/Q28052G3
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50254136
PNG
(CHEMBL469297 | N2-(2,6-dichlorophenyl)-N7-(4-(trif...)
Show SMILES FC(F)(F)c1ccc(Nc2ncnc3sc(Nc4c(Cl)cccc4Cl)nc23)cc1
Show InChI InChI=1S/C18H10Cl2F3N5S/c19-11-2-1-3-12(20)13(11)27-17-28-14-15(24-8-25-16(14)29-17)26-10-6-4-9(5-7-10)18(21,22)23/h1-8H,(H,27,28)(H,24,25,26)
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Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced calcium flux


Bioorg Med Chem Lett 19: 40-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.024
BindingDB Entry DOI: 10.7270/Q28052G3
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50254324
PNG
(CHEMBL512298 | N2-(2,6-dichlorophenyl)-N7-(4-isopr...)
Show SMILES CC(C)c1ccc(Nc2ncnc3sc(Nc4c(Cl)cccc4Cl)nc23)cc1
Show InChI InChI=1S/C20H17Cl2N5S/c1-11(2)12-6-8-13(9-7-12)25-18-17-19(24-10-23-18)28-20(27-17)26-16-14(21)4-3-5-15(16)22/h3-11H,1-2H3,(H,26,27)(H,23,24,25)
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n/an/a 3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced calcium flux


Bioorg Med Chem Lett 19: 40-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.024
BindingDB Entry DOI: 10.7270/Q28052G3
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50254136
PNG
(CHEMBL469297 | N2-(2,6-dichlorophenyl)-N7-(4-(trif...)
Show SMILES FC(F)(F)c1ccc(Nc2ncnc3sc(Nc4c(Cl)cccc4Cl)nc23)cc1
Show InChI InChI=1S/C18H10Cl2F3N5S/c19-11-2-1-3-12(20)13(11)27-17-28-14-15(24-8-25-16(14)29-17)26-10-6-4-9(5-7-10)18(21,22)23/h1-8H,(H,27,28)(H,24,25,26)
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n/an/a 4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from rat TRPV1 expressed in HEK293 cells


Bioorg Med Chem Lett 19: 40-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.024
BindingDB Entry DOI: 10.7270/Q28052G3
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50254322
PNG
(CHEMBL467007 | N2-(2,6-dichlorophenyl)-N7-(6-(trif...)
Show SMILES FC(F)(F)c1ccc(Nc2ncnc3sc(Nc4c(Cl)cccc4Cl)nc23)cn1
Show InChI InChI=1S/C17H9Cl2F3N6S/c18-9-2-1-3-10(19)12(9)27-16-28-13-14(24-7-25-15(13)29-16)26-8-4-5-11(23-6-8)17(20,21)22/h1-7H,(H,27,28)(H,24,25,26)
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n/an/a 4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced calcium flux


Bioorg Med Chem Lett 19: 40-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.024
BindingDB Entry DOI: 10.7270/Q28052G3
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50254376
PNG
(CHEMBL467851 | N2-(2,6-dichlorophenyl)-N7-(4-(meth...)
Show SMILES CS(=O)(=O)c1ccc(Nc2ncnc3sc(Nc4c(Cl)cccc4Cl)nc23)cc1
Show InChI InChI=1S/C18H13Cl2N5O2S2/c1-29(26,27)11-7-5-10(6-8-11)23-16-15-17(22-9-21-16)28-18(25-15)24-14-12(19)3-2-4-13(14)20/h2-9H,1H3,(H,24,25)(H,21,22,23)
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n/an/a 5n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced calcium flux


Bioorg Med Chem Lett 19: 40-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.024
BindingDB Entry DOI: 10.7270/Q28052G3
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50254153
PNG
(CHEMBL511589 | N2-(2,6-dimethylphenyl)-N7-(4-(trif...)
Show SMILES Cc1cccc(C)c1Nc1nc2c(Nc3ccc(cc3)C(F)(F)F)ncnc2s1
Show InChI InChI=1S/C20H16F3N5S/c1-11-4-3-5-12(2)15(11)27-19-28-16-17(24-10-25-18(16)29-19)26-14-8-6-13(7-9-14)20(21,22)23/h3-10H,1-2H3,(H,27,28)(H,24,25,26)
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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 rat TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced calcium flux


Bioorg Med Chem Lett 19: 40-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.024
BindingDB Entry DOI: 10.7270/Q28052G3
More data for this
Ligand-Target Pair
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
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50254136
PNG
(CHEMBL469297 | N2-(2,6-dichlorophenyl)-N7-(4-(trif...)
Show SMILES FC(F)(F)c1ccc(Nc2ncnc3sc(Nc4c(Cl)cccc4Cl)nc23)cc1
Show InChI InChI=1S/C18H10Cl2F3N5S/c19-11-2-1-3-12(20)13(11)27-17-28-14-15(24-8-25-16(14)29-17)26-10-6-4-9(5-7-10)18(21,22)23/h1-8H,(H,27,28)(H,24,25,26)
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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 rat TRPV1 expressed in HEK293 cells assessed as inhibition of low pH-induced calcium influx


Bioorg Med Chem Lett 19: 40-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.024
BindingDB Entry DOI: 10.7270/Q28052G3
More data for this
Ligand-Target Pair
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 TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced intracellular Ca2+ level by FLIPR assay


Bioorg Med Chem Lett 20: 7142-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.006
BindingDB Entry DOI: 10.7270/Q26Q1XH0
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50191064
PNG
(CHEMBL3894220)
Show SMILES Nc1ccc2c(C(=O)NCC(N3CCC(F)(F)CC3)c3cnc(nc3)C(F)(F)F)c(Cl)ccc2n1
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n/an/a 9n/an/an/an/an/an/a



Janssen Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor assessed as reduction in calcium flux by FLIPR assay


Bioorg Med Chem Lett 26: 4781-4784 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.029
BindingDB Entry DOI: 10.7270/Q2QJ7K7G
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50254154
PNG
(CHEMBL468470 | N2-(2-chloro-6-methylphenyl)-N7-(4-...)
Show SMILES Cc1cccc(Cl)c1Nc1nc2c(Nc3ccc(cc3)C(F)(F)F)ncnc2s1
Show InChI InChI=1S/C19H13ClF3N5S/c1-10-3-2-4-13(20)14(10)27-18-28-15-16(24-9-25-17(15)29-18)26-12-7-5-11(6-8-12)19(21,22)23/h2-9H,1H3,(H,27,28)(H,24,25,26)
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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 TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced calcium flux


Bioorg Med Chem Lett 19: 40-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.024
BindingDB Entry DOI: 10.7270/Q28052G3
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50254420
PNG
(CHEMBL517044 | N7-(3-chloro-4-(trifluoromethyl)phe...)
Show SMILES FC(F)(F)c1ccc(Nc2ncnc3sc(Nc4c(Cl)cccc4Cl)nc23)cc1Cl
Show InChI InChI=1S/C18H9Cl3F3N5S/c19-10-2-1-3-11(20)13(10)28-17-29-14-15(25-7-26-16(14)30-17)27-8-4-5-9(12(21)6-8)18(22,23)24/h1-7H,(H,28,29)(H,25,26,27)
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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 rat TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced calcium flux


Bioorg Med Chem Lett 19: 40-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.024
BindingDB Entry DOI: 10.7270/Q28052G3
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
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50254054
PNG
(CHEMBL462276 | N2-(2,6-dichlorophenyl)-N5-isopropy...)
Show SMILES CC(C)Nc1nc(Nc2ccc(cc2)C(F)(F)F)c2nc(Nc3c(Cl)cccc3Cl)sc2n1
Show InChI InChI=1S/C21H17Cl2F3N6S/c1-10(2)27-19-31-17(28-12-8-6-11(7-9-12)21(24,25)26)16-18(32-19)33-20(30-16)29-15-13(22)4-3-5-14(15)23/h3-10H,1-2H3,(H,29,30)(H2,27,28,31,32)
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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 rat TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced calcium flux


Bioorg Med Chem Lett 19: 40-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.024
BindingDB Entry DOI: 10.7270/Q28052G3
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50254324
PNG
(CHEMBL512298 | N2-(2,6-dichlorophenyl)-N7-(4-isopr...)
Show SMILES CC(C)c1ccc(Nc2ncnc3sc(Nc4c(Cl)cccc4Cl)nc23)cc1
Show InChI InChI=1S/C20H17Cl2N5S/c1-11(2)12-6-8-13(9-7-12)25-18-17-19(24-10-23-18)28-20(27-17)26-16-14(21)4-3-5-15(16)22/h3-11H,1-2H3,(H,26,27)(H,23,24,25)
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n/an/a 10n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced calcium flux


Bioorg Med Chem Lett 19: 40-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.024
BindingDB Entry DOI: 10.7270/Q28052G3
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50332846
PNG
(2-(4-isobutylpiperazin-1-yl)-N-(4-(trifluoromethyl...)
Show SMILES CC(C)CN1CCN(CC1)c1nc2CCN(CCc2c(Nc2ccc(cc2)C(F)(F)F)n1)c1ncccc1C(F)(F)F
Show InChI InChI=1S/C29H33F6N7/c1-19(2)18-40-14-16-42(17-15-40)27-38-24-10-13-41(26-23(29(33,34)35)4-3-11-36-26)12-9-22(24)25(39-27)37-21-7-5-20(6-8-21)28(30,31)32/h3-8,11,19H,9-10,12-18H2,1-2H3,(H,37,38,39)
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Johnson& Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced intracellular Ca2+ level by FLIPR assay


Bioorg Med Chem Lett 20: 7142-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.006
BindingDB Entry DOI: 10.7270/Q26Q1XH0
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50332848
PNG
(2-(4-cyclopropylpiperazin-1-yl)-N-(4-(trifluoromet...)
Show SMILES FC(F)(F)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCN(CC2)C2CC2)cc1
Show InChI InChI=1S/C28H29F6N7/c29-27(30,31)18-3-5-19(6-4-18)36-24-21-9-12-40(25-22(28(32,33)34)2-1-11-35-25)13-10-23(21)37-26(38-24)41-16-14-39(15-17-41)20-7-8-20/h1-6,11,20H,7-10,12-17H2,(H,36,37,38)
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Johnson& Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced intracellular Ca2+ level by FLIPR assay


Bioorg Med Chem Lett 20: 7142-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.006
BindingDB Entry DOI: 10.7270/Q26Q1XH0
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50254325
PNG
(CHEMBL469302 | N7-(4-tert-butylphenyl)-N2-(2,6-dic...)
Show SMILES CC(C)(C)c1ccc(Nc2ncnc3sc(Nc4c(Cl)cccc4Cl)nc23)cc1
Show InChI InChI=1S/C21H19Cl2N5S/c1-21(2,3)12-7-9-13(10-8-12)26-18-17-19(25-11-24-18)29-20(28-17)27-16-14(22)5-4-6-15(16)23/h4-11H,1-3H3,(H,27,28)(H,24,25,26)
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Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced calcium flux


Bioorg Med Chem Lett 19: 40-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.024
BindingDB Entry DOI: 10.7270/Q28052G3
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50254079
PNG
(CHEMBL459320 | N2-(2,6-dichlorophenyl)-N5-(2-morph...)
Show SMILES FC(F)(F)c1ccc(Nc2nc(NCCN3CCOCC3)nc3sc(Nc4c(Cl)cccc4Cl)nc23)cc1
Show InChI InChI=1S/C24H22Cl2F3N7OS/c25-16-2-1-3-17(26)18(16)32-23-33-19-20(31-15-6-4-14(5-7-15)24(27,28)29)34-22(35-21(19)38-23)30-8-9-36-10-12-37-13-11-36/h1-7H,8-13H2,(H,32,33)(H2,30,31,34,35)
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Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced calcium flux


Bioorg Med Chem Lett 19: 40-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.024
BindingDB Entry DOI: 10.7270/Q28052G3
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50254375
PNG
(CHEMBL467639 | N2-(2,6-dichlorophenyl)-N7-(4-(meth...)
Show SMILES CSc1ccc(Nc2ncnc3sc(Nc4c(Cl)cccc4Cl)nc23)cc1
Show InChI InChI=1S/C18H13Cl2N5S2/c1-26-11-7-5-10(6-8-11)23-16-15-17(22-9-21-16)27-18(25-15)24-14-12(19)3-2-4-13(14)20/h2-9H,1H3,(H,24,25)(H,21,22,23)
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Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced calcium flux


Bioorg Med Chem Lett 19: 40-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.024
BindingDB Entry DOI: 10.7270/Q28052G3
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50254136
PNG
(CHEMBL469297 | N2-(2,6-dichlorophenyl)-N7-(4-(trif...)
Show SMILES FC(F)(F)c1ccc(Nc2ncnc3sc(Nc4c(Cl)cccc4Cl)nc23)cc1
Show InChI InChI=1S/C18H10Cl2F3N5S/c19-11-2-1-3-12(20)13(11)27-17-28-14-15(24-8-25-16(14)29-17)26-10-6-4-9(5-7-10)18(21,22)23/h1-8H,(H,27,28)(H,24,25,26)
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n/an/a 12n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced calcium flux


Bioorg Med Chem Lett 19: 40-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.024
BindingDB Entry DOI: 10.7270/Q28052G3
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50253983
PNG
(CHEMBL462688 | N2-(2,6-dichlorophenyl)-5-(pyrrolid...)
Show SMILES FC(F)(F)c1ccc(Nc2nc(nc3sc(Nc4c(Cl)cccc4Cl)nc23)N2CCCC2)cc1
Show InChI InChI=1S/C22H17Cl2F3N6S/c23-14-4-3-5-15(24)16(14)29-21-30-17-18(28-13-8-6-12(7-9-13)22(25,26)27)31-20(32-19(17)34-21)33-10-1-2-11-33/h3-9H,1-2,10-11H2,(H,29,30)(H,28,31,32)
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n/an/a 12n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced calcium flux


Bioorg Med Chem Lett 19: 40-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.024
BindingDB Entry DOI: 10.7270/Q28052G3
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50254054
PNG
(CHEMBL462276 | N2-(2,6-dichlorophenyl)-N5-isopropy...)
Show SMILES CC(C)Nc1nc(Nc2ccc(cc2)C(F)(F)F)c2nc(Nc3c(Cl)cccc3Cl)sc2n1
Show InChI InChI=1S/C21H17Cl2F3N6S/c1-10(2)27-19-31-17(28-12-8-6-11(7-9-12)21(24,25)26)16-18(32-19)33-20(30-16)29-15-13(22)4-3-5-14(15)23/h3-10H,1-2H3,(H,29,30)(H2,27,28,31,32)
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n/an/a 13n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced calcium flux


Bioorg Med Chem Lett 19: 40-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.024
BindingDB Entry DOI: 10.7270/Q28052G3
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50254322
PNG
(CHEMBL467007 | N2-(2,6-dichlorophenyl)-N7-(6-(trif...)
Show SMILES FC(F)(F)c1ccc(Nc2ncnc3sc(Nc4c(Cl)cccc4Cl)nc23)cn1
Show InChI InChI=1S/C17H9Cl2F3N6S/c18-9-2-1-3-10(19)12(9)27-16-28-13-14(24-7-25-15(13)29-16)26-8-4-5-11(23-6-8)17(20,21)22/h1-7H,(H,27,28)(H,24,25,26)
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n/an/a 14n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced calcium flux


Bioorg Med Chem Lett 19: 40-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.024
BindingDB Entry DOI: 10.7270/Q28052G3
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50254173
PNG
(CHEMBL465986 | N2-o-tolyl-N7-(4-(trifluoromethyl)p...)
Show SMILES Cc1ccccc1Nc1nc2c(Nc3ccc(cc3)C(F)(F)F)ncnc2s1
Show InChI InChI=1S/C19H14F3N5S/c1-11-4-2-3-5-14(11)26-18-27-15-16(23-10-24-17(15)28-18)25-13-8-6-12(7-9-13)19(20,21)22/h2-10H,1H3,(H,26,27)(H,23,24,25)
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n/an/a 14n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced calcium flux


Bioorg Med Chem Lett 19: 40-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.024
BindingDB Entry DOI: 10.7270/Q28052G3
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))
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 TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced calcium flux


Bioorg Med Chem Lett 19: 40-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.024
BindingDB Entry DOI: 10.7270/Q28052G3
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50332850
PNG
(2-(4-cyclopentylpiperazin-1-yl)-N-(4-(trifluoromet...)
Show SMILES FC(F)(F)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCN(CC2)C2CCCC2)cc1
Show InChI InChI=1S/C30H33F6N7/c31-29(32,33)20-7-9-21(10-8-20)38-26-23-11-14-42(27-24(30(34,35)36)6-3-13-37-27)15-12-25(23)39-28(40-26)43-18-16-41(17-19-43)22-4-1-2-5-22/h3,6-10,13,22H,1-2,4-5,11-12,14-19H2,(H,38,39,40)
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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 TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced intracellular Ca2+ level by FLIPR assay


Bioorg Med Chem Lett 20: 7142-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.006
BindingDB Entry DOI: 10.7270/Q26Q1XH0
More data for this
Ligand-Target Pair
Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 1


(Homo sapiens (Human))
BDBM50419064
PNG
(CHEMBL1823874)
Show SMILES CCOc1ccccc1C(=O)NCC1(CCCCC1)N1CCN(CC1)C(C)C
Show InChI InChI=1S/C23H37N3O2/c1-4-28-21-11-7-6-10-20(21)22(27)24-18-23(12-8-5-9-13-23)26-16-14-25(15-17-26)19(2)3/h6-7,10-11,19H,4-5,8-9,12-18H2,1-3H3,(H,24,27)
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n/an/a 15.8n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human HCN1 heterologously expressed in HEK-293 cells after 30 mins by VIPR assay


Bioorg Med Chem Lett 21: 5197-201 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.051
BindingDB Entry DOI: 10.7270/Q2PV6MNP
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50254029
PNG
(CHEMBL460146 | N2-(2,6-dichlorophenyl)-5-morpholin...)
Show SMILES FC(F)(F)c1ccc(Nc2nc(nc3sc(Nc4c(Cl)cccc4Cl)nc23)N2CCOCC2)cc1
Show InChI InChI=1S/C22H17Cl2F3N6OS/c23-14-2-1-3-15(24)16(14)29-21-30-17-18(28-13-6-4-12(5-7-13)22(25,26)27)31-20(32-19(17)35-21)33-8-10-34-11-9-33/h1-7H,8-11H2,(H,29,30)(H,28,31,32)
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n/an/a 16n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced calcium flux


Bioorg Med Chem Lett 19: 40-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.024
BindingDB Entry DOI: 10.7270/Q28052G3
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))
BDBM50254136
PNG
(CHEMBL469297 | N2-(2,6-dichlorophenyl)-N7-(4-(trif...)
Show SMILES FC(F)(F)c1ccc(Nc2ncnc3sc(Nc4c(Cl)cccc4Cl)nc23)cc1
Show InChI InChI=1S/C18H10Cl2F3N5S/c19-11-2-1-3-12(20)13(11)27-17-28-14-15(24-8-25-16(14)29-17)26-10-6-4-9(5-7-10)18(21,22)23/h1-8H,(H,27,28)(H,24,25,26)
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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 TRPV1 expressed in HEK293 cells assessed as inhibition of low pH-induced calcium influx


Bioorg Med Chem Lett 19: 40-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.024
BindingDB Entry DOI: 10.7270/Q28052G3
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
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