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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sodium channel protein type 1/2/3 subunit alpha' and Ligand = 'BDBM50021437'   
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 1/2/3 subunit alpha


(Rattus norvegicus)
BDBM50021437
PNG
(5-Ethyl-5-phenylbarbituric acid | 5-Phenyl-5-ethyl...)
Show SMILES CCC1(C(=O)NC(=O)NC1=O)c1ccccc1
Show InChI InChI=1S/C12H12N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-7H,2H2,1H3,(H2,13,14,15,16,17)
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PC cid
PC sid
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Article
PubMed
n/an/a 2.50E+3n/an/an/an/an/an/a



Howard University

Curated by ChEMBL


Assay Description
Inhibition of [3H]BTX-B binding to neurotoxin site 2 of sodium channel of rat cerebral cortex synaptoneurosomes


J Med Chem 38: 4033-43 (1995)


Article DOI: 10.1021/jm00020a019
BindingDB Entry DOI: 10.7270/Q2DV1NM8
More data for this
Ligand-Target Pair
Sodium channel protein type 1/2/3 subunit alpha


(Homo sapiens (Human))
BDBM50021437
PNG
(5-Ethyl-5-phenylbarbituric acid | 5-Phenyl-5-ethyl...)
Show SMILES CCC1(C(=O)NC(=O)NC1=O)c1ccccc1
Show InChI InChI=1S/C12H12N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-7H,2H2,1H3,(H2,13,14,15,16,17)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
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CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-BTX binding to guinea pig voltage-dependent sodium channel


J Med Chem 29: 1512-6 (1986)


BindingDB Entry DOI: 10.7270/Q29C6WF2
More data for this
Ligand-Target Pair