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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Transient receptor potential cation channel subfamily V member 1' and Ligand = 'BDBM50332848'   
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))
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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PC cid
PC sid
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Similars

Article
PubMed
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))
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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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