BDBM83768 MLS000559791::N-Cyclohexyl-2-[(3,4-dimethyl-phenyl)-(2-thiophen-2-yl-acetyl)-amino]-2-pyridin-2-yl-acetamide::N-cyclohexyl-2-(3,4-dimethyl-N-(1-oxo-2-thiophen-2-ylethyl)anilino)-2-(2-pyridinyl)acetamide::N-cyclohexyl-2-(3,4-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-2-ylacetamide::N-cyclohexyl-2-(3,4-dimethyl-N-[2-(2-thienyl)acetyl]anilino)-2-(2-pyridyl)acetamide::N-cyclohexyl-2-[(3,4-dimethylphenyl)-(2-thiophen-2-ylethanoyl)amino]-2-pyridin-2-yl-ethanamide::SMR000172898::cid_3191141

SMILES Cc1ccc(C(=O)N2CCN(c3ncnc4c3c3ccc(S(=O)(=O)NC5(C#N)CC5)cc3n4-c3nnc(C(F)F)s3)CC2)cn1

InChI Key InChIKey=YSWXLHUZUIMWBT-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 = 83768   

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

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 83768BDBM83768(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