BDBM83738 2-amino-6-(cyanomethylsulfanyl)-4-cyclohexylpyridine-3,5-dicarbonitrile::2-amino-6-(cyanomethylthio)-4-cyclohexyl-dinicotinonitrile::2-amino-6-(cyanomethylthio)-4-cyclohexylpyridine-3,5-dicarbonitrile::2-amino-6-[(cyanomethyl)thio]-4-cyclohexylpyridine-3,5-dicarbonitrile::2-azanyl-6-(cyanomethylsulfanyl)-4-cyclohexyl-pyridine-3,5-dicarbonitrile::MLS000085820::SMR000020949::cid_3237836

SMILES N#CC1(NS(=O)(=O)c2ccc3c4c(N5CCN(C(=O)C6CC6)CC5)ncnc4n(-c4nnc(C(F)F)s4)c3c2)CC1

InChI Key InChIKey=FZLVVKJYXRJMRX-UHFFFAOYSA-N

Data  1 IC50  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 = 83738   

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

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 83738BDBM83738(N-(1-Cyanocyclopropyl)-4-(4- (cyclopropanecarbonyl...)
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