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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 = 'BDBM50074595'   
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))
BDBM50074595
PNG
(CHEMBL3410096)
Show SMILES O=C(Nc1cc(ccn1)-c1ccc2c(CCCNC2=O)c1)C1CC1
Show InChI InChI=1S/C19H19N3O2/c23-18(12-3-4-12)22-17-11-14(7-9-20-17)13-5-6-16-15(10-13)2-1-8-21-19(16)24/h5-7,9-12H,1-4,8H2,(H,21,24)(H,20,22,23)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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DrugBank
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.40n/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