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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 = 'BDBM50500965'   
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))
BDBM50500965
PNG
(CHEMBL3799372)
Show SMILES CN1CCN(CCOc2nn(-c3ccccc3F)c3ccc(F)cc23)C1=O
Show InChI InChI=1S/C19H18F2N4O2/c1-23-8-9-24(19(23)26)10-11-27-18-14-12-13(20)6-7-16(14)25(22-18)17-5-3-2-4-15(17)21/h2-7,12H,8-11H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 320n/an/an/an/an/an/a



AbbVie

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Nav1.7 expressed in HEK293F cells preincubated for 40 mins followed by DiSBAC2 substrate addition measured after 90 m...


J Med Chem 59: 3373-91 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00063
BindingDB Entry DOI: 10.7270/Q2C250GW
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50500965
PNG
(CHEMBL3799372)
Show SMILES CN1CCN(CCOc2nn(-c3ccccc3F)c3ccc(F)cc23)C1=O
Show InChI InChI=1S/C19H18F2N4O2/c1-23-8-9-24(19(23)26)10-11-27-18-14-12-13(20)6-7-16(14)25(22-18)17-5-3-2-4-15(17)21/h2-7,12H,8-11H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



AbbVie

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293F cells measured at -65 mV holding potential by Qpatch clamp method


J Med Chem 59: 3373-91 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00063
BindingDB Entry DOI: 10.7270/Q2C250GW
More data for this
Ligand-Target Pair