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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sodium channel protein type 9 subunit alpha' and Ligand = 'BDBM50349990'   
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 9 subunit alpha


(Homo sapiens (Human))
BDBM50349990
PNG
(CHEMBL1813015)
Show SMILES CC(=O)Nc1cccc(Nc2ncnc(n2)N2CCc3ccccc3C2)c1
Show InChI InChI=1S/C20H20N6O/c1-14(27)23-17-7-4-8-18(11-17)24-19-21-13-22-20(25-19)26-10-9-15-5-2-3-6-16(15)12-26/h2-8,11,13H,9-10,12H2,1H3,(H,23,27)(H,21,22,24,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 900n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of 30% inactivated human sodium channel Nav1.7 expressed in human HEK293 cells by patch-clamp electrophysiological assay


J Med Chem 54: 4427-45 (2011)


Article DOI: 10.1021/jm200018k
BindingDB Entry DOI: 10.7270/Q2N016W1
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50349990
PNG
(CHEMBL1813015)
Show SMILES CC(=O)Nc1cccc(Nc2ncnc(n2)N2CCc3ccccc3C2)c1
Show InChI InChI=1S/C20H20N6O/c1-14(27)23-17-7-4-8-18(11-17)24-19-21-13-22-20(25-19)26-10-9-15-5-2-3-6-16(15)12-26/h2-8,11,13H,9-10,12H2,1H3,(H,23,27)(H,21,22,24,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.90E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human sodium channel Nav1.7 expressed in human HEK293 cells by patch-clamp electrophysiological assay


J Med Chem 54: 4427-45 (2011)


Article DOI: 10.1021/jm200018k
BindingDB Entry DOI: 10.7270/Q2N016W1
More data for this
Ligand-Target Pair