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Compile Data Set for Download or QSAR

Found 65 hits Enz. Inhib. hit(s) with all data for entry = 50032660   
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))
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
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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n/an/a 11n/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
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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n/an/a 11n/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
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
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
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 19n/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 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))
BDBM50332849
PNG
(2-(4-cyclobutylpiperazin-1-yl)-N-(4-(trifluorometh...)
Show SMILES FC(F)(F)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C29H31F6N7/c30-28(31,32)19-6-8-20(9-7-19)37-25-22-10-13-41(26-23(29(33,34)35)5-2-12-36-26)14-11-24(22)38-27(39-25)42-17-15-40(16-18-42)21-3-1-4-21/h2,5-9,12,21H,1,3-4,10-11,13-18H2,(H,37,38,39)
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n/an/a 24n/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
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50332847
PNG
(2-(4-(pentan-3-yl)piperazin-1-yl)-N-(4-(trifluorom...)
Show SMILES CCC(CC)N1CCN(CC1)c1nc2CCN(CCc2c(Nc2ccc(cc2)C(F)(F)F)n1)c1ncccc1C(F)(F)F
Show InChI InChI=1S/C30H35F6N7/c1-3-22(4-2)41-16-18-43(19-17-41)28-39-25-12-15-42(27-24(30(34,35)36)6-5-13-37-27)14-11-23(25)26(40-28)38-21-9-7-20(8-10-21)29(31,32)33/h5-10,13,22H,3-4,11-12,14-19H2,1-2H3,(H,38,39,40)
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n/an/a 41n/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
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
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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n/an/a 45n/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 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))
BDBM50332864
PNG
(CHEMBL1630628 | tert-butyl 3-(methyl(4-(4-(trifluo...)
Show SMILES CN(C1CCCN(C1)C(=O)OC(C)(C)C)c1nc2CCN(CCc2c(Nc2ccc(cc2)C(F)(F)F)n1)c1ncccc1C(F)(F)F
Show InChI InChI=1S/C32H37F6N7O2/c1-30(2,3)47-29(46)45-16-6-7-22(19-45)43(4)28-41-25-14-18-44(27-24(32(36,37)38)8-5-15-39-27)17-13-23(25)26(42-28)40-21-11-9-20(10-12-21)31(33,34)35/h5,8-12,15,22H,6-7,13-14,16-19H2,1-4H3,(H,40,41,42)
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n/an/a 53n/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
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50332857
PNG
(CHEMBL1630622 | N-methyl-N-(1-(4-(4-(trifluorometh...)
Show SMILES CN(C1CCN(C1)c1nc2CCN(CCc2c(Nc2ccc(cc2)C(F)(F)F)n1)c1ncccc1C(F)(F)F)C(C)=O
Show InChI InChI=1S/C28H29F6N7O/c1-17(42)39(2)20-9-13-41(16-20)26-37-23-11-15-40(25-22(28(32,33)34)4-3-12-35-25)14-10-21(23)24(38-26)36-19-7-5-18(6-8-19)27(29,30)31/h3-8,12,20H,9-11,13-16H2,1-2H3,(H,36,37,38)
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n/an/a 62n/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
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
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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n/an/a 63n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Inhibition of rat TRPV1 expressed in HEK cells


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))
BDBM50332851
PNG
(2-(4-(2-methoxyethyl)piperazin-1-yl)-N-(4-(trifluo...)
Show SMILES COCCN1CCN(CC1)c1nc2CCN(CCc2c(Nc2ccc(cc2)C(F)(F)F)n1)c1ncccc1C(F)(F)F
Show InChI InChI=1S/C28H31F6N7O/c1-42-18-17-39-13-15-41(16-14-39)26-37-23-9-12-40(25-22(28(32,33)34)3-2-10-35-25)11-8-21(23)24(38-26)36-20-6-4-19(5-7-20)27(29,30)31/h2-7,10H,8-9,11-18H2,1H3,(H,36,37,38)
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n/an/a 65n/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
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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n/an/a 67n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Inhibition of human TRPV1 expressed in HEK cells


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


(Rattus norvegicus (rat))
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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n/an/a 89n/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 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))
BDBM50332845
PNG
(2-(4-isopropylpiperazin-1-yl)-N-(4-(trifluoromethy...)
Show SMILES CC(C)N1CCN(CC1)c1nc2CCN(CCc2c(Nc2ccc(cc2)C(F)(F)F)n1)c1ncccc1C(F)(F)F
Show InChI InChI=1S/C28H31F6N7/c1-18(2)39-14-16-41(17-15-39)26-37-23-10-13-40(25-22(28(32,33)34)4-3-11-35-25)12-9-21(23)24(38-26)36-20-7-5-19(6-8-20)27(29,30)31/h3-8,11,18H,9-10,12-17H2,1-2H3,(H,36,37,38)
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n/an/a 91n/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
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50332864
PNG
(CHEMBL1630628 | tert-butyl 3-(methyl(4-(4-(trifluo...)
Show SMILES CN(C1CCCN(C1)C(=O)OC(C)(C)C)c1nc2CCN(CCc2c(Nc2ccc(cc2)C(F)(F)F)n1)c1ncccc1C(F)(F)F
Show InChI InChI=1S/C32H37F6N7O2/c1-30(2,3)47-29(46)45-16-6-7-22(19-45)43(4)28-41-25-14-18-44(27-24(32(36,37)38)8-5-15-39-27)17-13-23(25)26(42-28)40-21-11-9-20(10-12-21)31(33,34)35/h5,8-12,15,22H,6-7,13-14,16-19H2,1-4H3,(H,40,41,42)
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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 rat 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))
BDBM50332868
PNG
(CHEMBL1630632 | N2-(piperidin-2-ylmethyl)-N4-(4-(t...)
Show SMILES FC(F)(F)c1ccc(Nc2nc(NCC3CCCCN3)nc3CCN(CCc23)c2ncccc2C(F)(F)F)cc1
Show InChI InChI=1S/C27H29F6N7/c28-26(29,30)17-6-8-18(9-7-17)37-23-20-10-14-40(24-21(27(31,32)33)5-3-13-35-24)15-11-22(20)38-25(39-23)36-16-19-4-1-2-12-34-19/h3,5-9,13,19,34H,1-2,4,10-12,14-16H2,(H2,36,37,38,39)
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n/an/a 100n/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
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
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 123n/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 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))
BDBM50332844
PNG
(2-(4-ethylpiperazin-1-yl)-N-(4-(trifluoromethyl)ph...)
Show SMILES CCN1CCN(CC1)c1nc2CCN(CCc2c(Nc2ccc(cc2)C(F)(F)F)n1)c1ncccc1C(F)(F)F
Show InChI InChI=1S/C27H29F6N7/c1-2-38-14-16-40(17-15-38)25-36-22-10-13-39(24-21(27(31,32)33)4-3-11-34-24)12-9-20(22)23(37-25)35-19-7-5-18(6-8-19)26(28,29)30/h3-8,11H,2,9-10,12-17H2,1H3,(H,35,36,37)
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n/an/a 132n/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
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50332861
PNG
(CHEMBL1630625 | tert-butyl 3-(4-(4-(trifluoromethy...)
Show SMILES CC(C)(C)OC(=O)N1CCCC(C1)Nc1nc2CCN(CCc2c(Nc2ccc(cc2)C(F)(F)F)n1)c1ncccc1C(F)(F)F
Show InChI InChI=1S/C31H35F6N7O2/c1-29(2,3)46-28(45)44-15-5-6-21(18-44)40-27-41-24-13-17-43(26-23(31(35,36)37)7-4-14-38-26)16-12-22(24)25(42-27)39-20-10-8-19(9-11-20)30(32,33)34/h4,7-11,14,21H,5-6,12-13,15-18H2,1-3H3,(H2,39,40,41,42)
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n/an/a 140n/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
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50332855
PNG
(CHEMBL1630620 | N-(1-(4-(4-(trifluoromethyl)phenyl...)
Show SMILES CC(=O)NC1CCN(C1)c1nc2CCN(CCc2c(Nc2ccc(cc2)C(F)(F)F)n1)c1ncccc1C(F)(F)F
Show InChI InChI=1S/C27H27F6N7O/c1-16(41)35-19-8-12-40(15-19)25-37-22-10-14-39(24-21(27(31,32)33)3-2-11-34-24)13-9-20(22)23(38-25)36-18-6-4-17(5-7-18)26(28,29)30/h2-7,11,19H,8-10,12-15H2,1H3,(H,35,41)(H,36,37,38)
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n/an/a 150n/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
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50332849
PNG
(2-(4-cyclobutylpiperazin-1-yl)-N-(4-(trifluorometh...)
Show SMILES FC(F)(F)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C29H31F6N7/c30-28(31,32)19-6-8-20(9-7-19)37-25-22-10-13-41(26-23(29(33,34)35)5-2-12-36-26)14-11-24(22)38-27(39-25)42-17-15-40(16-18-42)21-3-1-4-21/h2,5-9,12,21H,1,3-4,10-11,13-18H2,(H,37,38,39)
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n/an/a 161n/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 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


(Rattus norvegicus (rat))
BDBM50332847
PNG
(2-(4-(pentan-3-yl)piperazin-1-yl)-N-(4-(trifluorom...)
Show SMILES CCC(CC)N1CCN(CC1)c1nc2CCN(CCc2c(Nc2ccc(cc2)C(F)(F)F)n1)c1ncccc1C(F)(F)F
Show InChI InChI=1S/C30H35F6N7/c1-3-22(4-2)41-16-18-43(19-17-41)28-39-25-12-15-42(27-24(30(34,35)36)6-5-13-37-27)14-11-23(25)26(40-28)38-21-9-7-20(8-10-21)29(31,32)33/h5-10,13,22H,3-4,11-12,14-19H2,1-2H3,(H,38,39,40)
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n/an/a 185n/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 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))
BDBM50332860
PNG
((S)-2-(3-(dimethylamino)pyrrolidin-1-yl)-N-(4-(tri...)
Show SMILES CN(C)[C@H]1CCN(C1)c1nc2CCN(CCc2c(Nc2ccc(cc2)C(F)(F)F)n1)c1ncccc1C(F)(F)F |r|
Show InChI InChI=1S/C27H29F6N7/c1-38(2)19-9-13-40(16-19)25-36-22-11-15-39(24-21(27(31,32)33)4-3-12-34-24)14-10-20(22)23(37-25)35-18-7-5-17(6-8-18)26(28,29)30/h3-8,12,19H,9-11,13-16H2,1-2H3,(H,35,36,37)/t19-/m0/s1
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n/an/a 185n/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
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50332851
PNG
(2-(4-(2-methoxyethyl)piperazin-1-yl)-N-(4-(trifluo...)
Show SMILES COCCN1CCN(CC1)c1nc2CCN(CCc2c(Nc2ccc(cc2)C(F)(F)F)n1)c1ncccc1C(F)(F)F
Show InChI InChI=1S/C28H31F6N7O/c1-42-18-17-39-13-15-41(16-14-39)26-37-23-9-12-40(25-22(28(32,33)34)3-2-10-35-25)11-8-21(23)24(38-26)36-20-6-4-19(5-7-20)27(29,30)31/h2-7,10H,8-9,11-18H2,1H3,(H,36,37,38)
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n/an/a 207n/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 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


(Rattus norvegicus (rat))
BDBM50332867
PNG
(CHEMBL1630631 | tert-butyl 2-((4-(4-(trifluorometh...)
Show SMILES CC(C)(C)OC(=O)N1CCCCC1CNc1nc2CCN(CCc2c(Nc2ccc(cc2)C(F)(F)F)n1)c1ncccc1C(F)(F)F
Show InChI InChI=1S/C32H37F6N7O2/c1-30(2,3)47-29(46)45-16-5-4-7-22(45)19-40-28-42-25-14-18-44(27-24(32(36,37)38)8-6-15-39-27)17-13-23(25)26(43-28)41-21-11-9-20(10-12-21)31(33,34)35/h6,8-12,15,22H,4-5,7,13-14,16-19H2,1-3H3,(H2,40,41,42,43)
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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 rat 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


(Rattus norvegicus (rat))
BDBM50332861
PNG
(CHEMBL1630625 | tert-butyl 3-(4-(4-(trifluoromethy...)
Show SMILES CC(C)(C)OC(=O)N1CCCC(C1)Nc1nc2CCN(CCc2c(Nc2ccc(cc2)C(F)(F)F)n1)c1ncccc1C(F)(F)F
Show InChI InChI=1S/C31H35F6N7O2/c1-29(2,3)46-28(45)44-15-5-6-21(18-44)40-27-41-24-13-17-43(26-23(31(35,36)37)7-4-14-38-26)16-12-22(24)25(42-27)39-20-10-8-19(9-11-20)30(32,33)34/h4,7-11,14,21H,5-6,12-13,15-18H2,1-3H3,(H2,39,40,41,42)
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n/an/a 239n/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 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))
BDBM50332859
PNG
((R)-2-(3-(dimethylamino)pyrrolidin-1-yl)-N-(4-(tri...)
Show SMILES CN(C)[C@@H]1CCN(C1)c1nc2CCN(CCc2c(Nc2ccc(cc2)C(F)(F)F)n1)c1ncccc1C(F)(F)F |r|
Show InChI InChI=1S/C27H29F6N7/c1-38(2)19-9-13-40(16-19)25-36-22-11-15-39(24-21(27(31,32)33)4-3-12-34-24)14-10-20(22)23(37-25)35-18-7-5-17(6-8-18)26(28,29)30/h3-8,12,19H,9-11,13-16H2,1-2H3,(H,35,36,37)/t19-/m1/s1
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n/an/a 243n/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
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50332867
PNG
(CHEMBL1630631 | tert-butyl 2-((4-(4-(trifluorometh...)
Show SMILES CC(C)(C)OC(=O)N1CCCCC1CNc1nc2CCN(CCc2c(Nc2ccc(cc2)C(F)(F)F)n1)c1ncccc1C(F)(F)F
Show InChI InChI=1S/C32H37F6N7O2/c1-30(2,3)47-29(46)45-16-5-4-7-22(45)19-40-28-42-25-14-18-44(27-24(32(36,37)38)8-6-15-39-27)17-13-23(25)26(43-28)41-21-11-9-20(10-12-21)31(33,34)35/h6,8-12,15,22H,4-5,7,13-14,16-19H2,1-3H3,(H2,40,41,42,43)
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n/an/a 250n/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
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
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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n/an/a 330n/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 HEK cells


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))
BDBM50332843
PNG
(2-(4-methylpiperazin-1-yl)-N-(4-(trifluoromethyl)p...)
Show SMILES CN1CCN(CC1)c1nc2CCN(CCc2c(Nc2ccc(cc2)C(F)(F)F)n1)c1ncccc1C(F)(F)F
Show InChI InChI=1S/C26H27F6N7/c1-37-13-15-39(16-14-37)24-35-21-9-12-38(23-20(26(30,31)32)3-2-10-33-23)11-8-19(21)22(36-24)34-18-6-4-17(5-7-18)25(27,28)29/h2-7,10H,8-9,11-16H2,1H3,(H,34,35,36)
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n/an/a 367n/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
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50332845
PNG
(2-(4-isopropylpiperazin-1-yl)-N-(4-(trifluoromethy...)
Show SMILES CC(C)N1CCN(CC1)c1nc2CCN(CCc2c(Nc2ccc(cc2)C(F)(F)F)n1)c1ncccc1C(F)(F)F
Show InChI InChI=1S/C28H31F6N7/c1-18(2)39-14-16-41(17-15-39)26-37-23-10-13-40(25-22(28(32,33)34)4-3-11-35-25)12-9-21(23)24(38-26)36-20-7-5-19(6-8-20)27(29,30)31/h3-8,11,18H,9-10,12-17H2,1-2H3,(H,36,37,38)
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n/an/a 386n/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 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


(Rattus norvegicus (rat))
BDBM50332855
PNG
(CHEMBL1630620 | N-(1-(4-(4-(trifluoromethyl)phenyl...)
Show SMILES CC(=O)NC1CCN(C1)c1nc2CCN(CCc2c(Nc2ccc(cc2)C(F)(F)F)n1)c1ncccc1C(F)(F)F
Show InChI InChI=1S/C27H27F6N7O/c1-16(41)35-19-8-12-40(15-19)25-37-22-10-14-39(24-21(27(31,32)33)3-2-11-34-24)13-9-20(22)23(38-25)36-18-6-4-17(5-7-18)26(28,29)30/h2-7,11,19H,8-10,12-15H2,1H3,(H,35,41)(H,36,37,38)
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n/an/a 410n/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 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


(Rattus norvegicus (rat))
BDBM50332857
PNG
(CHEMBL1630622 | N-methyl-N-(1-(4-(4-(trifluorometh...)
Show SMILES CN(C1CCN(C1)c1nc2CCN(CCc2c(Nc2ccc(cc2)C(F)(F)F)n1)c1ncccc1C(F)(F)F)C(C)=O
Show InChI InChI=1S/C28H29F6N7O/c1-17(42)39(2)20-9-13-41(16-20)26-37-23-11-15-40(25-22(28(32,33)34)4-3-12-35-25)14-10-21(23)24(38-26)36-19-7-5-18(6-8-19)27(29,30)31/h3-8,12,20H,9-11,13-16H2,1-2H3,(H,36,37,38)
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n/an/a 460n/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 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))
BDBM50332871
PNG
(CHEMBL1631259 | N2-(pyridin-2-ylmethyl)-N4-(4-(tri...)
Show SMILES FC(F)(F)c1ccc(Nc2nc(NCc3ccccn3)nc3CCN(CCc23)c2ncccc2C(F)(F)F)cc1
Show InChI InChI=1S/C27H23F6N7/c28-26(29,30)17-6-8-18(9-7-17)37-23-20-10-14-40(24-21(27(31,32)33)5-3-13-35-24)15-11-22(20)38-25(39-23)36-16-19-4-1-2-12-34-19/h1-9,12-13H,10-11,14-16H2,(H2,36,37,38,39)
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n/an/a 476n/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
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50332852
PNG
(2-(4-(4-(4-(trifluoromethyl)phenylamino)-7-(3-(tri...)
Show SMILES OCCN1CCN(CC1)c1nc2CCN(CCc2c(Nc2ccc(cc2)C(F)(F)F)n1)c1ncccc1C(F)(F)F
Show InChI InChI=1S/C27H29F6N7O/c28-26(29,30)18-3-5-19(6-4-18)35-23-20-7-10-39(24-21(27(31,32)33)2-1-9-34-24)11-8-22(20)36-25(37-23)40-14-12-38(13-15-40)16-17-41/h1-6,9,41H,7-8,10-17H2,(H,35,36,37)
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n/an/a 498n/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
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50332844
PNG
(2-(4-ethylpiperazin-1-yl)-N-(4-(trifluoromethyl)ph...)
Show SMILES CCN1CCN(CC1)c1nc2CCN(CCc2c(Nc2ccc(cc2)C(F)(F)F)n1)c1ncccc1C(F)(F)F
Show InChI InChI=1S/C27H29F6N7/c1-2-38-14-16-40(17-15-38)25-36-22-10-13-39(24-21(27(31,32)33)4-3-11-34-24)12-9-20(22)23(37-25)35-19-7-5-18(6-8-19)26(28,29)30/h3-8,11H,2,9-10,12-17H2,1H3,(H,35,36,37)
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n/an/a 506n/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 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


(Rattus norvegicus (rat))
BDBM50332843
PNG
(2-(4-methylpiperazin-1-yl)-N-(4-(trifluoromethyl)p...)
Show SMILES CN1CCN(CC1)c1nc2CCN(CCc2c(Nc2ccc(cc2)C(F)(F)F)n1)c1ncccc1C(F)(F)F
Show InChI InChI=1S/C26H27F6N7/c1-37-13-15-39(16-14-37)24-35-21-9-12-38(23-20(26(30,31)32)3-2-10-33-23)11-8-19(21)22(36-24)34-18-6-4-17(5-7-18)25(27,28)29/h2-7,10H,8-9,11-16H2,1H3,(H,34,35,36)
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n/an/a 506n/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 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


(Rattus norvegicus (rat))
BDBM50332860
PNG
((S)-2-(3-(dimethylamino)pyrrolidin-1-yl)-N-(4-(tri...)
Show SMILES CN(C)[C@H]1CCN(C1)c1nc2CCN(CCc2c(Nc2ccc(cc2)C(F)(F)F)n1)c1ncccc1C(F)(F)F |r|
Show InChI InChI=1S/C27H29F6N7/c1-38(2)19-9-13-40(16-19)25-36-22-11-15-39(24-21(27(31,32)33)4-3-12-34-24)14-10-20(22)23(37-25)35-18-7-5-17(6-8-18)26(28,29)30/h3-8,12,19H,9-11,13-16H2,1-2H3,(H,35,36,37)/t19-/m0/s1
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n/an/a 586n/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 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


(Rattus norvegicus (rat))
BDBM50332859
PNG
((R)-2-(3-(dimethylamino)pyrrolidin-1-yl)-N-(4-(tri...)
Show SMILES CN(C)[C@@H]1CCN(C1)c1nc2CCN(CCc2c(Nc2ccc(cc2)C(F)(F)F)n1)c1ncccc1C(F)(F)F |r|
Show InChI InChI=1S/C27H29F6N7/c1-38(2)19-9-13-40(16-19)25-36-22-11-15-39(24-21(27(31,32)33)4-3-12-34-24)14-10-20(22)23(37-25)35-18-7-5-17(6-8-18)26(28,29)30/h3-8,12,19H,9-11,13-16H2,1-2H3,(H,35,36,37)/t19-/m1/s1
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n/an/a 1.04E+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 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


(Rattus norvegicus (rat))
BDBM50332852
PNG
(2-(4-(4-(4-(trifluoromethyl)phenylamino)-7-(3-(tri...)
Show SMILES OCCN1CCN(CC1)c1nc2CCN(CCc2c(Nc2ccc(cc2)C(F)(F)F)n1)c1ncccc1C(F)(F)F
Show InChI InChI=1S/C27H29F6N7O/c28-26(29,30)18-3-5-19(6-4-18)35-23-20-7-10-39(24-21(27(31,32)33)2-1-9-34-24)11-8-22(20)36-25(37-23)40-14-12-38(13-15-40)16-17-41/h1-6,9,41H,7-8,10-17H2,(H,35,36,37)
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n/an/a 1.16E+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 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


(Rattus norvegicus (rat))
BDBM50332871
PNG
(CHEMBL1631259 | N2-(pyridin-2-ylmethyl)-N4-(4-(tri...)
Show SMILES FC(F)(F)c1ccc(Nc2nc(NCc3ccccn3)nc3CCN(CCc23)c2ncccc2C(F)(F)F)cc1
Show InChI InChI=1S/C27H23F6N7/c28-26(29,30)17-6-8-18(9-7-17)37-23-20-10-14-40(24-21(27(31,32)33)5-3-13-35-24)15-11-22(20)38-25(39-23)36-16-19-4-1-2-12-34-19/h1-9,12-13H,10-11,14-16H2,(H2,36,37,38,39)
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n/an/a 1.34E+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 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


(Rattus norvegicus (rat))
BDBM50332865
PNG
(CHEMBL1630629 | N2-methyl-N2-(piperidin-3-yl)-N4-(...)
Show SMILES CN(C1CCCNC1)c1nc2CCN(CCc2c(Nc2ccc(cc2)C(F)(F)F)n1)c1ncccc1C(F)(F)F
Show InChI InChI=1S/C27H29F6N7/c1-39(19-4-2-12-34-16-19)25-37-22-11-15-40(24-21(27(31,32)33)5-3-13-35-24)14-10-20(22)23(38-25)36-18-8-6-17(7-9-18)26(28,29)30/h3,5-9,13,19,34H,2,4,10-12,14-16H2,1H3,(H,36,37,38)
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n/an/a 1.54E+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 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))
BDBM50332869
PNG
(CHEMBL1630633 | N2-((1-methylpiperidin-2-yl)methyl...)
Show SMILES CN1CCCCC1CNc1nc2CCN(CCc2c(Nc2ccc(cc2)C(F)(F)F)n1)c1ncccc1C(F)(F)F
Show InChI InChI=1S/C28H31F6N7/c1-40-14-3-2-5-20(40)17-36-26-38-23-12-16-41(25-22(28(32,33)34)6-4-13-35-25)15-11-21(23)24(39-26)37-19-9-7-18(8-10-19)27(29,30)31/h4,6-10,13,20H,2-3,5,11-12,14-17H2,1H3,(H2,36,37,38,39)
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n/an/a 1.76E+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 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))
BDBM50332853
PNG
(2-(4-(2-(dimethylamino)ethyl)piperazin-1-yl)-N-(4-...)
Show SMILES CN(C)CCN1CCN(CC1)c1nc2CCN(CCc2c(Nc2ccc(cc2)C(F)(F)F)n1)c1ncccc1C(F)(F)F
Show InChI InChI=1S/C29H34F6N8/c1-40(2)14-15-41-16-18-43(19-17-41)27-38-24-10-13-42(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/h3-8,11H,9-10,12-19H2,1-2H3,(H,37,38,39)
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n/an/a 2.00E+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 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


(Rattus norvegicus (rat))
BDBM50332869
PNG
(CHEMBL1630633 | N2-((1-methylpiperidin-2-yl)methyl...)
Show SMILES CN1CCCCC1CNc1nc2CCN(CCc2c(Nc2ccc(cc2)C(F)(F)F)n1)c1ncccc1C(F)(F)F
Show InChI InChI=1S/C28H31F6N7/c1-40-14-3-2-5-20(40)17-36-26-38-23-12-16-41(25-22(28(32,33)34)6-4-13-35-25)15-11-21(23)24(39-26)37-19-9-7-18(8-10-19)27(29,30)31/h4,6-10,13,20H,2-3,5,11-12,14-17H2,1H3,(H2,36,37,38,39)
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n/an/a 2.28E+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 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


(Rattus norvegicus (rat))
BDBM50332853
PNG
(2-(4-(2-(dimethylamino)ethyl)piperazin-1-yl)-N-(4-...)
Show SMILES CN(C)CCN1CCN(CC1)c1nc2CCN(CCc2c(Nc2ccc(cc2)C(F)(F)F)n1)c1ncccc1C(F)(F)F
Show InChI InChI=1S/C29H34F6N8/c1-40(2)14-15-41-16-18-43(19-17-41)27-38-24-10-13-42(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/h3-8,11H,9-10,12-19H2,1-2H3,(H,37,38,39)
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n/an/a 2.60E+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 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))
BDBM50332854
PNG
(CHEMBL1630619 | N2-(2-(dimethylamino)ethyl)-N2-met...)
Show SMILES CN(C)CCN(C)c1nc2CCN(CCc2c(Nc2ccc(cc2)C(F)(F)F)n1)c1ncccc1C(F)(F)F
Show InChI InChI=1S/C26H29F6N7/c1-37(2)15-16-38(3)24-35-21-11-14-39(23-20(26(30,31)32)5-4-12-33-23)13-10-19(21)22(36-24)34-18-8-6-17(7-9-18)25(27,28)29/h4-9,12H,10-11,13-16H2,1-3H3,(H,34,35,36)
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n/an/a 2.67E+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 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))
BDBM50332858
PNG
(2-(3-(methylamino)pyrrolidin-1-yl)-N-(4-(trifluoro...)
Show SMILES CNC1CCN(C1)c1nc2CCN(CCc2c(Nc2ccc(cc2)C(F)(F)F)n1)c1ncccc1C(F)(F)F
Show InChI InChI=1S/C26H27F6N7/c1-33-18-8-12-39(15-18)24-36-21-10-14-38(23-20(26(30,31)32)3-2-11-34-23)13-9-19(21)22(37-24)35-17-6-4-16(5-7-17)25(27,28)29/h2-7,11,18,33H,8-10,12-15H2,1H3,(H,35,36,37)
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Article
PubMed
n/an/a 2.79E+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 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))
BDBM50332863
PNG
(CHEMBL1630627 | N2-(1-methylpiperidin-3-yl)-N4-(4-...)
Show SMILES CN1CCCC(C1)Nc1nc2CCN(CCc2c(Nc2ccc(cc2)C(F)(F)F)n1)c1ncccc1C(F)(F)F
Show InChI InChI=1S/C27H29F6N7/c1-39-13-3-4-19(16-39)36-25-37-22-11-15-40(24-21(27(31,32)33)5-2-12-34-24)14-10-20(22)23(38-25)35-18-8-6-17(7-9-18)26(28,29)30/h2,5-9,12,19H,3-4,10-11,13-16H2,1H3,(H2,35,36,37,38)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.08E+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 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
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