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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Transient receptor potential cation channel subfamily A member 1' and Ligand = 'BDBM50318468'   
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 A member 1


(Homo sapiens (Human))
BDBM50318468
PNG
(CHEMBL1083804 | N-(4-(4-chloro-3-methylphenyl)thia...)
Show SMILES CN1C(=O)c2cccc(CC(=O)Nc3nc(cs3)-c3ccc(Cl)c(C)c3)c2C1=O
Show InChI InChI=1S/C21H16ClN3O3S/c1-11-8-12(6-7-15(11)22)16-10-29-21(23-16)24-17(26)9-13-4-3-5-14-18(13)20(28)25(2)19(14)27/h3-8,10H,9H2,1-2H3,(H,23,24,26)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 250n/an/an/an/an/an/a



Ferrara University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPA1 channel


J Med Chem 53: 5085-107 (2010)


Article DOI: 10.1021/jm100062h
BindingDB Entry DOI: 10.7270/Q2416Z02
More data for this
Ligand-Target Pair