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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 = 'BDBM50130533'   
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))
BDBM50130533
PNG
(CHEMBL3632693)
Show SMILES COc1cc(ccc1OCC(O)CN1CCC(CC1)N1Cc2ccccc2C1=O)C(F)(F)F
Show InChI InChI=1/C24H27F3N2O4/c1-32-22-12-17(24(25,26)27)6-7-21(22)33-15-19(30)14-28-10-8-18(9-11-28)29-13-16-4-2-3-5-20(16)23(29)31/h2-7,12,18-19,30H,8-11,13-15H2,1H3
PDB

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PC cid
PC sid
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PubMed
n/an/a 910n/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