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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Transient receptor potential cation channel subfamily V member 1' and Ligand = 'BDBM50254114'   
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))
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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Article
PubMed
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))
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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Article
PubMed
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


(Rattus norvegicus (rat))
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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UniChem

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Article
PubMed
n/an/a 71n/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