BDBM83769 2-[[[cyclohexyl(thiophen-2-ylmethyl)amino]-sulfanylidenemethyl]amino]acetic acid ethyl ester::2-[[cyclohexyl(2-thenyl)thiocarbamoyl]amino]acetic acid ethyl ester::MLS000583903::SMR000206889::cid_5207529::ethyl 2-[[cyclohexyl(thiophen-2-ylmethyl)carbamothioyl]amino]acetate::ethyl 2-[[cyclohexyl(thiophen-2-ylmethyl)carbamothioyl]amino]ethanoate::ethyl N-{[cyclohexyl(thien-2-ylmethyl)amino]carbonothioyl}glycinate

SMILES CN(C)C(=O)N1CC2CN(c3ncnc4c3c3ccc(S(=O)(=O)NC5(C#N)CC5)cc3n4-c3nnc(C(F)F)s3)CC2C1

InChI Key InChIKey=GWMVOJKOCSNOJL-UHFFFAOYSA-N

Data  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 = 83769   

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

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 83769BDBM83769(5-(7-(N-(1-Cyanocyclopropyl)sulfamoyl)-9- (5-(difl...)
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