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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 = 'BDBM50530535'   
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)
BDBM50530535
PNG
(CHEMBL4466858 | US11174268, Example 205)
Show SMILES C[C@H](Nc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1)c1ccccc1F |r|
Show InChI InChI=1S/C17H14F3N3O2S2/c1-10(12-4-2-3-5-13(12)18)22-11-6-14(19)17(15(20)7-11)27(24,25)23-16-8-26-9-21-16/h2-10,22-23H,1H3/t10-/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 47n/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)
BDBM50530535
PNG
(CHEMBL4466858 | US11174268, Example 205)
Show SMILES C[C@H](Nc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1)c1ccccc1F |r|
Show InChI InChI=1S/C17H14F3N3O2S2/c1-10(12-4-2-3-5-13(12)18)22-11-6-14(19)17(15(20)7-11)27(24,25)23-16-8-26-9-21-16/h2-10,22-23H,1H3/t10-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 47n/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