BDBM83771 MLS000580953::N-[2-(4,6-Dimethyl-pyrimidin-2-ylsulfanyl)-acenaphthen-1-yl]-benzenesulfonamide::N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1,2-dihydroacenaphthylen-1-yl]benzenesulfonamide::N-[2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1,2-dihydroacenaphthylen-1-yl]benzenesulfonamide::N-[2-[(4,6-dimethylpyrimidin-2-yl)thio]acenaphthen-1-yl]benzenesulfonamide::SMR000220336::cid_3804682

SMILES N#CC1(NS(=O)(=O)c2ccc3c4c(N5CCN(C(=O)C6CCC6)CC5)ncnc4n(-c4nnc(C(F)F)s4)c3c2)CC1

InChI Key InChIKey=FBSDGWKMSGQFEF-UHFFFAOYSA-N

Data  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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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 = 83771   

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

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 83771BDBM83771(N-(1-Cyanocyclopropyl)-4-(4- (cyclobutanecarbonyl)...)
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