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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 = 'BDBM50337557'   
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))
BDBM50337557
PNG
((S)-6-(2-(2-methoxyphenyl)morpholino)-1-methyl-4-(...)
Show SMILES COc1ccccc1[C@H]1CN(CCO1)c1cc(cc(=O)n1C)-c1ccncn1 |r|
Show InChI InChI=1S/C21H22N4O3/c1-24-20(11-15(12-21(24)26)17-7-8-22-14-23-17)25-9-10-28-19(13-25)16-5-3-4-6-18(16)27-2/h3-8,11-12,14,19H,9-10,13H2,1-2H3/t19-/m1/s1
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MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.10n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta expressed in baculovirus infected SF9 cells after 60 mins


Bioorg Med Chem Lett 21: 1429-33 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.017
BindingDB Entry DOI: 10.7270/Q2KH0NNF
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50337557
PNG
((S)-6-(2-(2-methoxyphenyl)morpholino)-1-methyl-4-(...)
Show SMILES COc1ccccc1[C@H]1CN(CCO1)c1cc(cc(=O)n1C)-c1ccncn1 |r|
Show InChI InChI=1S/C21H22N4O3/c1-24-20(11-15(12-21(24)26)17-7-8-22-14-23-17)25-9-10-28-19(13-25)16-5-3-4-6-18(16)27-2/h3-8,11-12,14,19H,9-10,13H2,1-2H3/t19-/m1/s1
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 840n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human GSK3beta expressed in CHO AA8 cells co-expressing human tau protein after 2 hrs


Bioorg Med Chem Lett 21: 1429-33 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.017
BindingDB Entry DOI: 10.7270/Q2KH0NNF
More data for this
Ligand-Target Pair