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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 = 'BDBM50267626'   
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))
BDBM50267626
PNG
(AZ-11548415 | AZD-1080)
Show SMILES Oc1[nH]c2ccc(cc2c1-c1ccc(CN2CCOCC2)cn1)C#N
Show InChI InChI=1S/C19H18N4O2/c20-10-13-1-3-16-15(9-13)18(19(24)22-16)17-4-2-14(11-21-17)12-23-5-7-25-8-6-23/h1-4,9,11,22,24H,5-8,12H2
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MMDB

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PC cid
PC sid
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Article
PubMed
31n/an/an/an/an/an/an/an/a



Angelini Pharma S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human GSK3beta expressed in Sf21 insect cells using biotinylated-AAEELDSRAGS(PO3H2)PQL peptide as substrate pre...


ACS Med Chem Lett 11: 825-831 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00633
BindingDB Entry DOI: 10.7270/Q2930XQ1
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50267626
PNG
(AZ-11548415 | AZD-1080)
Show SMILES Oc1[nH]c2ccc(cc2c1-c1ccc(CN2CCOCC2)cn1)C#N
Show InChI InChI=1S/C19H18N4O2/c20-10-13-1-3-16-15(9-13)18(19(24)22-16)17-4-2-14(11-21-17)12-23-5-7-25-8-6-23/h1-4,9,11,22,24H,5-8,12H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 31n/an/an/an/an/an/a



Department of Medicinal Chemistry, School of Pharmacy, Fudan University, Shanghai, 201203, China; State Key Lab of New Drug& Pharmaceutical Process, Shanghai Key Lab of Anti-Infectives, State Ins

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta (unknown origin)


Eur J Med Chem 135: 370-381 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.039
BindingDB Entry DOI: 10.7270/Q27P91W5
More data for this
Ligand-Target Pair