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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 = 'BDBM50223568'   
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))
BDBM50223568
PNG
(CHEMBL250183 | ethyl 3-bromo-7-(pyridin-3-ylmethyl...)
Show SMILES CCOC(=O)c1cc(NCc2cccnc2)n2ncc(Br)c2n1
Show InChI InChI=1S/C15H14BrN5O2/c1-2-23-15(22)12-6-13(18-8-10-4-3-5-17-7-10)21-14(20-12)11(16)9-19-21/h3-7,9,18H,2,8H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 790n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human GSK3beta


Bioorg Med Chem Lett 17: 6220-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.017
BindingDB Entry DOI: 10.7270/Q27M07ND
More data for this
Ligand-Target Pair