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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Glycogen synthase kinase-3 beta' and Ligand = 'BDBM50026856'   
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))
BDBM50026856
PNG
(CHEMBL1957095)
Show SMILES COc1ccc(cc1-c1ccncc1)-c1ocnc1C(=O)NCc1ccncc1
Show InChI InChI=1S/C22H18N4O3/c1-28-19-3-2-17(12-18(19)16-6-10-24-11-7-16)21-20(26-14-29-21)22(27)25-13-15-4-8-23-9-5-15/h2-12,14H,13H2,1H3,(H,25,27)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.26E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of GSK3-beta by AlphaLISA 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
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50026856
PNG
(CHEMBL1957095)
Show SMILES COc1ccc(cc1-c1ccncc1)-c1ocnc1C(=O)NCc1ccncc1
Show InChI InChI=1S/C22H18N4O3/c1-28-19-3-2-17(12-18(19)16-6-10-24-11-7-16)21-20(26-14-29-21)22(27)25-13-15-4-8-23-9-5-15/h2-12,14H,13H2,1H3,(H,25,27)
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 3.98E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta-mediated CRMP-2 phosphorylation by cell based 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