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BDBM68553 2-[(4-chlorobenzyl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylic acid::2-[(4-chlorophenyl)methylcarbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylic acid::2-[[(4-chlorophenyl)methylamino]-oxomethyl]-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylic acid::3-{[(4-chlorobenzyl)amino]carbonyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid::MLS000088833::SMR000071986::cid_2932787

SMILES: [H]C12OC([H])(C=C1)C(C2C(O)=O)C(=O)NCc1ccc(Cl)cc1

InChI Key: InChIKey=QGKIVHLGDKAKBZ-UHFFFAOYSA-N

Data: 1 EC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 68553   
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))
BDBM68553
PNG
(2-[(4-chlorobenzyl)carbamoyl]-7-oxabicyclo[2.2.1]h...)
Show SMILES OC(=O)C1C2OC(C=C2)C1C(=O)NCc1ccc(Cl)cc1
Show InChI InChI=1S/C15H14ClNO4/c16-9-3-1-8(2-4-9)7-17-14(18)12-10-5-6-11(21-10)13(12)15(19)20/h1-6,10-13H,7H2,(H,17,18)(H,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>3.00E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair