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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 = 'BDBM50074576'   
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))
BDBM50074576
PNG
(CHEMBL3410111)
Show SMILES CC(C)Oc1nc(ncc1C(N)=O)-c1ccnc(NC(=O)C2CC2)c1
Show InChI InChI=1S/C17H19N5O3/c1-9(2)25-17-12(14(18)23)8-20-15(22-17)11-5-6-19-13(7-11)21-16(24)10-3-4-10/h5-10H,3-4H2,1-2H3,(H2,18,23)(H,19,21,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.830n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta (unknown origin) activity by competitive binding assay


Bioorg Med Chem Lett 25: 1856-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.046
BindingDB Entry DOI: 10.7270/Q2222WH5
More data for this
Ligand-Target Pair