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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 = 'BDBM50118492'   
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))
BDBM50118492
PNG
(CHEMBL3617056)
Show SMILES Fc1cc(COc2cnc(C3CC3)c(Cl)c2)c(Cl)cc1C(=O)NS(=O)(=O)N1CCC1
Show InChI InChI=1S/C19H18Cl2FN3O4S/c20-15-8-14(19(26)24-30(27,28)25-4-1-5-25)17(22)6-12(15)10-29-13-7-16(21)18(23-9-13)11-2-3-11/h6-9,11H,1-5,10H2,(H,24,26)
PDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

n/an/a 90n/an/an/an/an/an/a


TBA

Assay Description
Concentration at which the clotting time was prolonged by twice that of the control by inhibiting thrombin


Citation and Details
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50118492
PNG
(CHEMBL3617056)
Show SMILES Fc1cc(COc2cnc(C3CC3)c(Cl)c2)c(Cl)cc1C(=O)NS(=O)(=O)N1CCC1
Show InChI InChI=1S/C19H18Cl2FN3O4S/c20-15-8-14(19(26)24-30(27,28)25-4-1-5-25)17(22)6-12(15)10-29-13-7-16(21)18(23-9-13)11-2-3-11/h6-9,11H,1-5,10H2,(H,24,26)
PDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.7 channel expressed in HEK cells by patch clamp electrophysiology assay


J Med Chem 58: 7093-118 (2015)


Article DOI: 10.1021/jm501981g
BindingDB Entry DOI: 10.7270/Q2XS5X6P
More data for this
Ligand-Target Pair