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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/[Tau protein] kinase' and Ligand = 'BDBM50479428'   
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/[Tau protein] kinase


(Sus scrofa)
BDBM50479428
PNG
(CHEMBL461764)
Show SMILES CC[C@H](CO)Nc1nc(Nc2cccc(c2)-c2ccncc2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C23H27N7O/c1-4-18(13-31)27-23-28-21(20-22(29-23)30(14-25-20)15(2)3)26-19-7-5-6-17(12-19)16-8-10-24-11-9-16/h5-12,14-15,18,31H,4,13H2,1-3H3,(H2,26,27,28,29)/t18-/m1/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.00E+4n/an/an/an/an/an/a



Universite Paris-Descartes

Curated by ChEMBL


Assay Description
Inhibition of pig brain GSK3alpha/beta


J Med Chem 51: 5229-42 (2008)


Article DOI: 10.1021/jm800109e
BindingDB Entry DOI: 10.7270/Q2DB84PF
More data for this
Ligand-Target Pair