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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sodium channel protein type 1 subunit alpha' and Ligand = 'BDBM373956'   
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 1 subunit alpha


(Homo sapiens (Human))
BDBM373956
PNG
(4-((1-benzylpiperidin-4-yl)oxy)-2,6-difluoro-3-met...)
Show SMILES Cc1c(F)c(c(F)cc1OC1CCN(Cc2ccccc2)CC1)S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C22H23F2N3O3S2/c1-15-19(30-17-7-10-27(11-8-17)14-16-5-3-2-4-6-16)13-18(23)21(20(15)24)32(28,29)26-22-25-9-12-31-22/h2-6,9,12-13,17H,7-8,10-11,14H2,1H3,(H,25,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.58E+3n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

US Patent


Assay Description
In general, Trex HEK293 cells were stably transfected with an inducible expression vector containing the full-length cDNA coding for the desired huma...


US Patent US10815229 (2020)


BindingDB Entry DOI: 10.7270/Q2MS3WTS
More data for this
Ligand-Target Pair
Sodium channel protein type 1 subunit alpha


(Homo sapiens (Human))
BDBM373956
PNG
(4-((1-benzylpiperidin-4-yl)oxy)-2,6-difluoro-3-met...)
Show SMILES Cc1c(F)c(c(F)cc1OC1CCN(Cc2ccccc2)CC1)S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C22H23F2N3O3S2/c1-15-19(30-17-7-10-27(11-8-17)14-16-5-3-2-4-6-16)13-18(23)21(20(15)24)32(28,29)26-22-25-9-12-31-22/h2-6,9,12-13,17H,7-8,10-11,14H2,1H3,(H,25,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.58E+3n/an/an/an/an/an/a



St. Jude Research Hospital



Assay Description
This sodium influx assay employs the use of the cell permeable, sodium sensitive dye ANG2 to quantify sodium ion influx through sodium channels which...


J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q2HM5BRC
More data for this
Ligand-Target Pair