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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 = 'BDBM50237529'   
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))
BDBM50237529
PNG
(CHEMBL4087898)
Show SMILES C[C@]1(CCOc2cc(F)c(cc2F)S(=O)(=O)Nc2ncns2)CC[C@H](N)CC1 |r,wU:24.26,wD:1.1,(76.43,-36.87,;77.53,-37.98,;78.31,-36.65,;79.85,-36.65,;80.61,-37.99,;82.15,-38,;82.91,-36.68,;84.45,-36.68,;85.22,-35.35,;85.22,-38.02,;84.44,-39.35,;82.91,-39.34,;82.12,-40.67,;86.76,-38.02,;87.17,-36.53,;88.26,-37.64,;87.53,-39.36,;89.07,-39.37,;89.98,-38.13,;91.44,-38.61,;91.43,-40.15,;89.97,-40.62,;76.18,-38.69,;76.13,-40.23,;77.44,-41.04,;77.38,-42.58,;78.8,-40.32,;78.85,-38.77,)|
PDB

KEGG

UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
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Patents

Article
PubMed
n/an/a 383n/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
More data for this
Ligand-Target Pair