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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 = 'BDBM50395369'   
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))
BDBM50395369
PNG
(CHEMBL2164357)
Show SMILES FC(F)(F)Oc1ccc(CNC(=O)C2N(CCCc3ccccn3)C(=O)c3ccccc23)cc1
Show InChI InChI=1S/C25H22F3N3O3/c26-25(27,28)34-19-12-10-17(11-13-19)16-30-23(32)22-20-8-1-2-9-21(20)24(33)31(22)15-5-7-18-6-3-4-14-29-18/h1-4,6,8-14,22H,5,7,15-16H2,(H,30,32)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 130n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human NaV1.7 alpha subunit expressed in HEK293 cells at -65 mV holding potential by patch clamp electrophysiological assay


J Med Chem 55: 6866-80 (2012)


Article DOI: 10.1021/jm300623u
BindingDB Entry DOI: 10.7270/Q2M909SB
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50395369
PNG
(CHEMBL2164357)
Show SMILES FC(F)(F)Oc1ccc(CNC(=O)C2N(CCCc3ccccn3)C(=O)c3ccccc23)cc1
Show InChI InChI=1S/C25H22F3N3O3/c26-25(27,28)34-19-12-10-17(11-13-19)16-30-23(32)22-20-8-1-2-9-21(20)24(33)31(22)15-5-7-18-6-3-4-14-29-18/h1-4,6,8-14,22H,5,7,15-16H2,(H,30,32)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 4.60E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human NaV1.7 alpha subunit expressed in HEK293 cells at -90 mV holding potential by patch clamp electrophysiological assay


J Med Chem 55: 6866-80 (2012)


Article DOI: 10.1021/jm300623u
BindingDB Entry DOI: 10.7270/Q2M909SB
More data for this
Ligand-Target Pair