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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 = 'BDBM50045370'   
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))
BDBM50045370
PNG
(CHEMBL3314140)
Show SMILES Clc1ccc(cc1)-c1ccc(o1)-c1nccn1-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C23H21ClN4O/c24-18-3-1-17(2-4-18)21-9-10-22(29-21)23-26-13-16-28(23)20-7-5-19(6-8-20)27-14-11-25-12-15-27/h1-10,13,16,25H,11-12,14-15H2
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Similars

Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GSK3B (unknown origin)


Bioorg Med Chem Lett 24: 3609-13 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.024
BindingDB Entry DOI: 10.7270/Q2F47QR7
More data for this
Ligand-Target Pair