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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium channel protein type 5 subunit alpha' and Ligand = 'BDBM50103575'   
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 5 subunit alpha


(Homo sapiens (Human))
BDBM50103575
PNG
(CHEMBL3337585)
Show SMILES COc1ccc(cc1N(C)C)C(=O)N1CCC2(CC1)Nc1cc(ccc1-n1cccc21)C(F)(F)F
Show InChI InChI=1S/C26H27F3N4O2/c1-31(2)21-15-17(6-9-22(21)35-3)24(34)32-13-10-25(11-14-32)23-5-4-12-33(23)20-8-7-18(26(27,28)29)16-19(20)30-25/h4-9,12,15-16,30H,10-11,13-14H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

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DrugBank
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 217n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 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