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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 = 'BDBM50130531'   
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))
BDBM50130531
PNG
(CHEMBL3632691)
Show SMILES OC(COc1cccc(c1)C(F)(F)F)CN1CCC(CC1)N1Cc2ccccc2C1=O
Show InChI InChI=1/C23H25F3N2O3/c24-23(25,26)17-5-3-6-20(12-17)31-15-19(29)14-27-10-8-18(9-11-27)28-13-16-4-1-2-7-21(16)22(28)30/h1-7,12,18-19,29H,8-11,13-15H2
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
PubMed
n/an/a 1.20E+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