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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium channel alpha subunit' and Ligand = 'BDBM50237515'   
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 alpha subunit


(Homo sapiens (Human))
BDBM50237515
PNG
(CHEMBL4062566)
Show SMILES N[C@H]1CC[C@](CCOc2cc(F)c(cc2F)S(=O)(=O)Nc2ncns2)(CC1)c1ccccc1 |r,wU:1.0,wD:4.4,(47.92,-19.6,;47.97,-18.07,;46.67,-17.25,;46.72,-15.72,;48.07,-15,;48.84,-13.67,;50.38,-13.68,;51.15,-15.02,;52.68,-15.03,;53.45,-13.71,;54.98,-13.71,;55.75,-12.38,;55.75,-15.05,;54.98,-16.38,;53.44,-16.37,;52.66,-17.69,;57.29,-15.05,;57.7,-13.56,;58.79,-14.66,;58.06,-16.39,;59.59,-16.39,;60.5,-15.15,;61.96,-15.63,;61.96,-17.17,;60.49,-17.64,;49.38,-15.8,;49.33,-17.34,;46.97,-13.9,;47.38,-12.4,;46.28,-11.3,;44.78,-11.7,;44.37,-13.21,;45.47,-14.3,)|
PDB

KEGG

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PC cid
PC sid
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Patents

Article
PubMed
n/an/a 473n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL




J Med Chem 60: 2513-2525 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01918
BindingDB Entry DOI: 10.7270/Q2057J69
More data for this
Ligand-Target Pair