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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 = 'BDBM50136634'   
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))
BDBM50136634
PNG
(CHEMBL3753331)
Show SMILES Cc1cc(cc(C)c1F)S(=O)(=O)N1[C@H](CNCC(F)(F)F)CC[C@@H]1c1ccc(F)cc1 |r|
Show InChI InChI=1S/C21H23F5N2O2S/c1-13-9-18(10-14(2)20(13)23)31(29,30)28-17(11-27-12-21(24,25)26)7-8-19(28)15-3-5-16(22)6-4-15/h3-6,9-10,17,19,27H,7-8,11-12H2,1-2H3/t17-,19+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human TRPA1


Bioorg Med Chem Lett 26: 495-8 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.088
BindingDB Entry DOI: 10.7270/Q23R0VRB
More data for this
Ligand-Target Pair