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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Transient receptor potential cation channel subfamily V member 1' and Ligand = 'BDBM50332846'   
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))
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


(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))
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


(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