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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glycogen synthase kinase-3 beta' and Ligand = 'BDBM50026848'   
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
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50026848
PNG
(CHEMBL1957081)
Show SMILES CNC(=O)c1ccc(CN(C)C(=O)c2ncoc2-c2ccc(OC)cc2)cc1
Show InChI InChI=1S/C21H21N3O4/c1-22-20(25)16-6-4-14(5-7-16)12-24(2)21(26)18-19(28-13-23-18)15-8-10-17(27-3)11-9-15/h4-11,13H,12H2,1-3H3,(H,22,25)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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DrugBank
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a<2.51E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta by fluorescence polarization assay


Bioorg Med Chem Lett 22: 1989-94 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.034
BindingDB Entry DOI: 10.7270/Q2ZP46KT
More data for this
Ligand-Target Pair