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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 = 'BDBM50398507'   
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))
BDBM50398507
PNG
(CHEMBL2178067)
Show SMILES CC(C(=O)NCc1ccc(nc1N1CCCC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C21H24F4N4O3S/c1-13(14-5-7-17(16(22)11-14)28-33(2,31)32)20(30)26-12-15-6-8-18(21(23,24)25)27-19(15)29-9-3-4-10-29/h5-8,11,13,28H,3-4,9-10,12H2,1-2H3,(H,26,30)
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PC cid
PC sid
UniChem
Article
PubMed
0.600n/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))
BDBM50398507
PNG
(CHEMBL2178067)
Show SMILES CC(C(=O)NCc1ccc(nc1N1CCCC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C21H24F4N4O3S/c1-13(14-5-7-17(16(22)11-14)28-33(2,31)32)20(30)26-12-15-6-8-18(21(23,24)25)27-19(15)29-9-3-4-10-29/h5-8,11,13,28H,3-4,9-10,12H2,1-2H3,(H,26,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 211n/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