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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 = 'BDBM50257212'   
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))
BDBM50257212
PNG
(CHEMBL2325021)
Show SMILES FC(F)(F)c1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ncns2)c(c1)-c1ccnnc1
Show InChI InChI=1S/C20H11F3N6O3S2/c21-20(22,23)14-1-3-18(16(8-14)12-5-6-26-27-10-12)32-17-4-2-15(7-13(17)9-24)34(30,31)29-19-25-11-28-33-19/h1-8,10-11H,(H,25,28,29)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 9.80n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of NaV1.7 ion channel (unknown origin)


Bioorg Med Chem Lett 23: 261-3 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.102
BindingDB Entry DOI: 10.7270/Q2445QD6
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50257212
PNG
(CHEMBL2325021)
Show SMILES FC(F)(F)c1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ncns2)c(c1)-c1ccnnc1
Show InChI InChI=1S/C20H11F3N6O3S2/c21-20(22,23)14-1-3-18(16(8-14)12-5-6-26-27-10-12)32-17-4-2-15(7-13(17)9-24)34(30,31)29-19-25-11-28-33-19/h1-8,10-11H,(H,25,28,29)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Icagen Inc. , 4222 Emperor Blvd no. 350, Durham, North Carolina 27703, United States.

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.7 expressed in HEK cells assessed as half inactivation potential at -120 mV holding potential by automated patch clamp metho...


J Med Chem 60: 7029-7042 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00598
BindingDB Entry DOI: 10.7270/Q21G0PQF
More data for this
Ligand-Target Pair