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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 = 'BDBM50377251'   
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))
BDBM50377251
PNG
(CHEMBL254350)
Show SMILES OC(=O)COc1ccc(Nc2ncc3nnn(c3n2)C23CC4CC(CC(O)(C4)C2)C3)cc1 |w:23.25,21.22,TLB:26:25:22.23.29:20,THB:24:25:22.23.29:20,28:25:22:29.19.20,28:19:22:27.24.25,26:25:22:29.19.20,TEB:24:23:20:27.25.28|
Show InChI InChI=1S/C22H24N6O4/c29-18(30)11-32-16-3-1-15(2-4-16)24-20-23-10-17-19(25-20)28(27-26-17)21-6-13-5-14(7-21)9-22(31,8-13)12-21/h1-4,10,13-14,31H,5-9,11-12H2,(H,29,30)(H,23,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 169n/an/an/an/an/an/a



Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


Bioorg Med Chem Lett 18: 3578-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.001
BindingDB Entry DOI: 10.7270/Q2571CXM
More data for this
Ligand-Target Pair