BDBM83740 2-amino-6-cyclopropyl-4-phenyl-3-pyridinecarbonitrile::2-amino-6-cyclopropyl-4-phenyl-nicotinonitrile::2-amino-6-cyclopropyl-4-phenylnicotinonitrile::2-amino-6-cyclopropyl-4-phenylpyridine-3-carbonitrile::2-azanyl-6-cyclopropyl-4-phenyl-pyridine-3-carbonitrile::MLS000052981::SMR000068937::cid_668120

SMILES CC1(C(=O)N2CCN(c3ncnc4c3c3ccc(S(=O)(=O)NC5(C#N)CC5)cc3n4-c3nnc(C(F)F)s3)CC2)CCC1

InChI Key InChIKey=NQFIMEZPUWWZCY-UHFFFAOYSA-N

Data  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 83740   

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

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 83740BDBM83740(N-(1-Cyanocyclopropyl)-9-(5- (difluoromethyl)-1,3,...)
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