BDBM83739 2-[(6-amino-3,5-dicyano-4-p-phenetyl-2-pyridyl)thio]acetic acid ethyl ester::2-[[6-amino-3,5-dicyano-4-(4-ethoxyphenyl)-2-pyridinyl]thio]acetic acid ethyl ester::MLS000087845::SMR000024164::cid_3241330::ethyl 2-[6-amino-3,5-dicyano-4-(4-ethoxyphenyl)pyridin-2-yl]sulfanylacetate::ethyl 2-[6-azanyl-3,5-dicyano-4-(4-ethoxyphenyl)pyridin-2-yl]sulfanylethanoate::ethyl {[6-amino-3,5-dicyano-4-(4-ethoxyphenyl)pyridin-2-yl]thio}acetate

SMILES CC(C)(C)C(=O)N1CCN(c2ncnc3c2c2ccc(S(=O)(=O)NC4(C#N)CC4)cc2n3-c2nnc(C(F)F)s2)CC1

InChI Key InChIKey=VXSYOTWMARIFQS-UHFFFAOYSA-N

Data  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 83739   

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

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 83739BDBM83739(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