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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 = 'BDBM50465470'   
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))
BDBM50465470
PNG
(CHEMBL4277472)
Show SMILES CS(=O)(=O)Nc1noc2cc(COc3ccc(Cl)c(Cl)c3)c(cc12)C1CC1
Show InChI InChI=1S/C18H16Cl2N2O4S/c1-27(23,24)22-18-14-8-13(10-2-3-10)11(6-17(14)26-21-18)9-25-12-4-5-15(19)16(20)7-12/h4-8,10H,2-3,9H2,1H3,(H,21,22)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Xenon Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of inactivated state of recombinant human NaV1.7 expressed in HEK293 cell membranes coexpressing Nav beta1 subunit assessed as decrease in...


J Med Chem 61: 4810-4831 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01826
BindingDB Entry DOI: 10.7270/Q2BV7K92
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50465470
PNG
(CHEMBL4277472)
Show SMILES CS(=O)(=O)Nc1noc2cc(COc3ccc(Cl)c(Cl)c3)c(cc12)C1CC1
Show InChI InChI=1S/C18H16Cl2N2O4S/c1-27(23,24)22-18-14-8-13(10-2-3-10)11(6-17(14)26-21-18)9-25-12-4-5-15(19)16(20)7-12/h4-8,10H,2-3,9H2,1H3,(H,21,22)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Xenon Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]GX-545 from recombinant human NaV1.7 expressed in HEK293 cell membranes coexpressing Nav beta1 subunit after 18 hrs by liquid sci...


J Med Chem 61: 4810-4831 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01826
BindingDB Entry DOI: 10.7270/Q2BV7K92
More data for this
Ligand-Target Pair