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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 = 'BDBM50398533'   
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))
BDBM50398533
PNG
(CHEMBL2179148)
Show SMILES CC(C(=O)NCc1ccc(nc1N1CCN(CC1)c1ccc(C)cc1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C28H31F4N5O3S/c1-18-4-8-22(9-5-18)36-12-14-37(15-13-36)26-21(7-11-25(34-26)28(30,31)32)17-33-27(38)19(2)20-6-10-24(23(29)16-20)35-41(3,39)40/h4-11,16,19,35H,12-15,17H2,1-3H3,(H,33,38)
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PC cid
PC sid
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Similars

Article
PubMed
3.30n/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))
BDBM50398533
PNG
(CHEMBL2179148)
Show SMILES CC(C(=O)NCc1ccc(nc1N1CCN(CC1)c1ccc(C)cc1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C28H31F4N5O3S/c1-18-4-8-22(9-5-18)36-12-14-37(15-13-36)26-21(7-11-25(34-26)28(30,31)32)17-33-27(38)19(2)20-6-10-24(23(29)16-20)35-41(3,39)40/h4-11,16,19,35H,12-15,17H2,1-3H3,(H,33,38)
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 38.3n/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