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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sodium channel protein type 5 subunit alpha' and Ligand = 'BDBM170190'   
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 5 subunit alpha


(Homo sapiens (Human))
BDBM170190
PNG
(US9079902, 21)
Show SMILES Cn1cc(-c2ccc(cc2-c2cn[nH]c2)C(F)(F)F)c2ccc(cc12)S(=O)(=O)Nc1ncns1
Show InChI InChI=1S/C21H15F3N6O2S2/c1-30-10-18(15-4-2-13(21(22,23)24)6-17(15)12-8-26-27-9-12)16-5-3-14(7-19(16)30)34(31,32)29-20-25-11-28-33-20/h2-11H,1H3,(H,26,27)(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>1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Nav1.5 (unknown origin) expressed in HEK293 cells by IonWorks patch-clamp method


Bioorg Med Chem Lett 24: 3690-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.038
BindingDB Entry DOI: 10.7270/Q2KS6VJM
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM170190
PNG
(US9079902, 21)
Show SMILES Cn1cc(-c2ccc(cc2-c2cn[nH]c2)C(F)(F)F)c2ccc(cc12)S(=O)(=O)Nc1ncns1
Show InChI InChI=1S/C21H15F3N6O2S2/c1-30-10-18(15-4-2-13(21(22,23)24)6-17(15)12-8-26-27-9-12)16-5-3-14(7-19(16)30)34(31,32)29-20-25-11-28-33-20/h2-11H,1H3,(H,26,27)(H,25,28,29)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



AMGEN INC.

US Patent


Assay Description
293 cells stably transfected with either Nav 1.7 or with Nav 1.5 were recorded in population patch-clamp mode with the IonWorks® Quattro automated el...


US Patent US9079902 (2015)


BindingDB Entry DOI: 10.7270/Q2J67FPN
More data for this
Ligand-Target Pair