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SMILES: Nc1c(F)c(NCCNc2ccccn2)c2NCCC3(CCC3)n3cc(C(O)=O)c(=O)c1c23

InChI Key: InChIKey=KEGNPOJAGGIWSW-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50362883   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/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))		BDBM50362883
PNG
(CHEMBL1940909)
Show SMILES Nc1c(F)c(NCCNc2ccccn2)c2NCCC3(CCC3)n3cc(C(O)=O)c(=O)c1c23
Show InChI InChI=1S/C23H25FN6O3/c24-16-17(25)15-20-19(18(16)29-11-10-27-14-4-1-2-8-26-14)28-9-7-23(5-3-6-23)30(20)12-13(21(15)31)22(32)33/h1-2,4,8,12,28-29H,3,5-7,9-11,25H2,(H,26,27)(H,32,33)
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n/an/a 550n/an/an/an/an/an/a



Kyorin Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3-beta after 1 hr by KinaseGlo luciferase assay

Bioorg Med Chem 20: 1188-200 (2012)


Article DOI: 10.1016/j.bmc.2011.12.046
BindingDB Entry DOI: 10.7270/Q29W0FXV
More data for this
Ligand-Target Pair