BDBM83781 4-amino-2-[(E)-3-(2,5-dimethoxyphenyl)-1-oxoprop-2-enyl]isoindole-1,3-dione::4-amino-2-[(E)-3-(2,5-dimethoxyphenyl)acryloyl]isoindoline-1,3-quinone::4-amino-2-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]isoindole-1,3-dione::4-azanyl-2-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]isoindole-1,3-dione::MLS000392072::SMR000261005::cid_2418264

SMILES N#CC1(NS(=O)(=O)c2ccc3c4c(N5CCN(CC6CC6)C(=O)C5)ncnc4n(-c4nnc(C(F)F)s4)c3c2)CC1

InChI Key InChIKey=GUGKKMOSTQLXQV-UHFFFAOYSA-N

Data  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 83781   

TargetPoly(ADP-ribose) glycohydrolase(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 83781BDBM83781(N-(1-Cyanocyclopropyl)-4-(4- (cyclopropylmethyl)-3...)
Affinity DataIC50: 0.000100nMAssay Description:Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/6/2026
Entry Details
US Patent