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SMILES: CC(C)(C)NC(=O)c1ccc(cc1)C1CC(=O)N(Cc2ccccc2[N+]([O-])=O)c2ccccc2S1

InChI Key: InChIKey=MRELJOQFIQNSHE-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50469282   
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))		BDBM50469282
PNG
(CHEMBL4287074)
Show SMILES CC(C)(C)NC(=O)c1ccc(cc1)C1CC(=O)N(Cc2ccccc2[N+]([O-])=O)c2ccccc2S1
Show InChI InChI=1S/C27H27N3O4S/c1-27(2,3)28-26(32)19-14-12-18(13-15-19)24-16-25(31)29(22-10-6-7-11-23(22)35-24)17-20-8-4-5-9-21(20)30(33)34/h4-15,24H,16-17H2,1-3H3,(H,28,32)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.80E+4n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal His6-tagged human GSK-3beta expressed in Baculovirus infected SF9 cells using prephosphorylated-GS2 polype...

Bioorg Med Chem 26: 5479-5493 (2018)


Article DOI: 10.1016/j.bmc.2018.09.027
BindingDB Entry DOI: 10.7270/Q2319ZMZ
More data for this
Ligand-Target Pair