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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 = 'BDBM50103586'   
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))
BDBM50103586
PNG
(CHEMBL3337596)
Show SMILES CCCCc1nc2cc(ccc2o1)C(=O)N1CCC2(CC1)Nc1cc(OC)ccc1-n1cccc21
Show InChI InChI=1S/C28H30N4O3/c1-3-4-7-26-29-22-17-19(8-11-24(22)35-26)27(33)31-15-12-28(13-16-31)25-6-5-14-32(25)23-10-9-20(34-2)18-21(23)30-28/h5-6,8-11,14,17-18,30H,3-4,7,12-13,15-16H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

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DrugBank
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 21n/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