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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 = 'BDBM50398542'   
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))
BDBM50398542
PNG
(CHEMBL2177414)
Show SMILES CC(C(=O)NCc1ccc(nc1N1CCC(CC1)OC(=O)C(C)(C)C)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C27H34F4N4O5S/c1-16(17-6-8-21(20(28)14-17)34-41(5,38)39)24(36)32-15-18-7-9-22(27(29,30)31)33-23(18)35-12-10-19(11-13-35)40-25(37)26(2,3)4/h6-9,14,16,19,34H,10-13,15H2,1-5H3,(H,32,36)
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PC cid
PC sid
UniChem
Article
PubMed
2n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of capsaicin-induced activity by FLIPR assay


J Med Chem 55: 8392-408 (2012)


Article DOI: 10.1021/jm300780p
BindingDB Entry DOI: 10.7270/Q2TX3GH1
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50398542
PNG
(CHEMBL2177414)
Show SMILES CC(C(=O)NCc1ccc(nc1N1CCC(CC1)OC(=O)C(C)(C)C)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C27H34F4N4O5S/c1-16(17-6-8-21(20(28)14-17)34-41(5,38)39)24(36)32-15-18-7-9-22(27(29,30)31)33-23(18)35-12-10-19(11-13-35)40-25(37)26(2,3)4/h6-9,14,16,19,34H,10-13,15H2,1-5H3,(H,32,36)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 45.2n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of pH-induced activity by FLIPR assay


J Med Chem 55: 8392-408 (2012)


Article DOI: 10.1021/jm300780p
BindingDB Entry DOI: 10.7270/Q2TX3GH1
More data for this
Ligand-Target Pair