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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 = 'BDBM50103588'   
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))
BDBM50103588
PNG
(CHEMBL3337598)
Show SMILES COc1ccc-2c(NC3(CCN(CC3)C(=O)c3cccc4ncccc34)c3cccn-23)c1
Show InChI InChI=1S/C26H24N4O2/c1-32-18-9-10-23-22(17-18)28-26(24-8-4-14-30(23)24)11-15-29(16-12-26)25(31)20-5-2-7-21-19(20)6-3-13-27-21/h2-10,13-14,17,28H,11-12,15-16H2,1H3
PDB

KEGG

UniProtKB/SwissProt

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DrugBank
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 109n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells after 60 mins by FLIPR assay


Bioorg Med Chem Lett 24: 4958-62 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.038
BindingDB Entry DOI: 10.7270/Q21Z465T
More data for this
Ligand-Target Pair