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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Voltage-gated sodium channel subunit alpha Nav1.1 (Nav1.1)' and Ligand = 'BDBM50130529'   
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
Voltage-gated sodium channel subunit alpha Nav1.1 (Nav1.1)


(Homo sapiens (Human))
BDBM50130529
PNG
(CHEMBL3634336)
Show SMILES COc1ccc(OCC(O)CN2CCC(CC2)N2Cc3ccccc3C2=O)cc1
Show InChI InChI=1/C23H28N2O4/c1-28-20-6-8-21(9-7-20)29-16-19(26)15-24-12-10-18(11-13-24)25-14-17-4-2-3-5-22(17)23(25)27/h2-9,18-19,26H,10-16H2,1H3
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2.70E+3n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.1 by IonWorks quattro automated electrophysiology assay


Bioorg Med Chem Lett 25: 5419-23 (2015)


BindingDB Entry DOI: 10.7270/Q2930W06
More data for this
Ligand-Target Pair