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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 = 'BDBM50130511'   
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))
BDBM50130511
PNG
(CHEMBL3634321)
Show SMILES OC(COc1ccccc1C(=O)c1ccccc1)CN1CCN(CC1)c1cccc2NC(=O)COc12
Show InChI InChI=1/C28H29N3O5/c32-21(18-35-25-12-5-4-9-22(25)27(34)20-7-2-1-3-8-20)17-30-13-15-31(16-14-30)24-11-6-10-23-28(24)36-19-26(33)29-23/h1-12,21,32H,13-19H2,(H,29,33)
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a>3.30E+4n/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