BDBM68561 2-[1-(2-cyanoethyl)-1H-indol-3-yl]-4-oxo-4-phenylbutanoic acid::2-[1-(2-cyanoethyl)-3-indolyl]-4-oxo-4-phenylbutanoic acid::2-[1-(2-cyanoethyl)indol-3-yl]-4-keto-4-phenyl-butyric acid::2-[1-(2-cyanoethyl)indol-3-yl]-4-oxidanylidene-4-phenyl-butanoic acid::2-[1-(2-cyanoethyl)indol-3-yl]-4-oxo-4-phenylbutanoic acid::MLS000049352::SMR000075246::cid_2949692

SMILES OC(=O)C(CC(=O)c1ccccc1)c1cn(CCC#N)c2ccccc12

InChI Key InChIKey=JMMMQDNHDGCQDG-UHFFFAOYSA-N

Data  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 68561   

TargetGlycogen synthase kinase-3 beta(Human)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM68561(MLS000049352 | 2-[1-(2-cyanoethyl)indol-3-yl]-4-ox...)
Affinity DataEC50: >3.00E+5nMAssay Description:Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/29/2011
Entry Details
PCBioAssay