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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 = 'BDBM50118482'   
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))
BDBM50118482
PNG
(CHEMBL3617061)
Show SMILES CC(C)COc1ccc(C)cc1-c1cccc([C@@H]2CC[C@]3(CCN(C)C3=O)N2)c1F |r|
Show InChI InChI=1S/C25H31FN2O2/c1-16(2)15-30-22-9-8-17(3)14-20(22)18-6-5-7-19(23(18)26)21-10-11-25(27-21)12-13-28(4)24(25)29/h5-9,14,16,21,27H,10-13,15H2,1-4H3/t21-,25+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 251n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.7 channel expressed in HEK293 cells treated for 120 secs by QPatch assay


J Med Chem 58: 7093-118 (2015)


Article DOI: 10.1021/jm501981g
BindingDB Entry DOI: 10.7270/Q2XS5X6P
More data for this
Ligand-Target Pair