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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sodium channel subunit beta-1' and Ligand = 'BDBM50530533'   
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 subunit beta-1


(Homo sapiens)
BDBM50530533
PNG
(CHEMBL4435054 | US11174268, Example 185)
Show SMILES CC(C)N(C)Cc1cccc(F)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1
Show InChI InChI=1S/C21H23F3N4O2S2/c1-13(2)28(3)10-14-5-4-6-17(22)16(14)9-25-15-7-18(23)21(19(24)8-15)32(29,30)27-20-11-31-12-26-20/h4-8,11-13,25,27H,9-10H2,1-3H3
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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 66n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length Nav1.2 co-expressed with human SCN1B in HEK293 cells measured after 20 mins at -45 mV holding potential b...


J Med Chem 62: 9618-9641 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01032
BindingDB Entry DOI: 10.7270/Q2Z32344
More data for this
Ligand-Target Pair
Sodium channel subunit beta-1


(Homo sapiens)
BDBM50530533
PNG
(CHEMBL4435054 | US11174268, Example 185)
Show SMILES CC(C)N(C)Cc1cccc(F)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1
Show InChI InChI=1S/C21H23F3N4O2S2/c1-13(2)28(3)10-14-5-4-6-17(22)16(14)9-25-15-7-18(23)21(19(24)8-15)32(29,30)27-20-11-31-12-26-20/h4-8,11-13,25,27H,9-10H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 66n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length Nav1.2 co-expressed with human SCN1B in HEK293 cells measured after 20 mins at -45 mV holding potential b...


J Med Chem 62: 9618-9641 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01032
BindingDB Entry DOI: 10.7270/Q2Z32344
More data for this
Ligand-Target Pair