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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium channel protein type 9 subunit alpha' and Ligand = 'BDBM50390083'   
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
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50390083
PNG
(CHEMBL2069413)
Show SMILES OCc1ccc(cn1)-c1cccc2OC[C@H](Cc12)NC(=O)c1ccc(OCCOCC(F)(F)F)nc1 |r|
Show InChI InChI=1S/C25H24F3N3O5/c26-25(27,28)15-34-8-9-35-23-7-5-17(12-30-23)24(33)31-19-10-21-20(2-1-3-22(21)36-14-19)16-4-6-18(13-32)29-11-16/h1-7,11-12,19,32H,8-10,13-15H2,(H,31,33)/t19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 158n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.7 expressed in HEK293 cells by whole-cell voltage clamp assay


Bioorg Med Chem Lett 22: 5618-24 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.105
BindingDB Entry DOI: 10.7270/Q2ZC83ZX
More data for this
Ligand-Target Pair