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BDBM50491927 CHEMBL2386105

SMILES: COCCn1cc(C2=C(C(=O)NC2=O)c2coc3ccccc23)c2cc(F)c(F)cc12

InChI Key: InChIKey=NXMQDCGRTSYYID-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50491927   
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))
BDBM50491927
PNG
(CHEMBL2386105)
Show SMILES COCCn1cc(C2=C(C(=O)NC2=O)c2coc3ccccc23)c2cc(F)c(F)cc12 |t:7|
Show InChI InChI=1S/C23H16F2N2O4/c1-30-7-6-27-10-14(13-8-16(24)17(25)9-18(13)27)20-21(23(29)26-22(20)28)15-11-31-19-5-3-2-4-12(15)19/h2-5,8-11H,6-7H2,1H3,(H,26,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 36n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human GSK3beta-mediated YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE phosphorylation


J Med Chem 56: 5115-29 (2013)


Article DOI: 10.1021/jm400511s
BindingDB Entry DOI: 10.7270/Q21R6TFJ
More data for this
Ligand-Target Pair