BDBM83764 1-(2,5-diketo-1-p-phenetyl-pyrrolidin-3-yl)-1-homoveratryl-3-phenyl-thiourea;1,4-dioxane::1-[2-(3,4-Dimethoxy-phenyl)-ethyl]-1-[1-(4-ethoxy-phenyl)-2,5-dioxo-pyrrolidin-3-yl]-3-phenyl-thiourea::1-[2-(3,4-dimethoxyphenyl)ethyl]-1-[1-(4-ethoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-3-phenyl-thiourea;1,4-dioxane::1-[2-(3,4-dimethoxyphenyl)ethyl]-1-[1-(4-ethoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]-3-phenylthiourea;1,4-dioxane::1-[2-(3,4-dimethoxyphenyl)ethyl]-1-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-phenylthiourea;1,4-dioxane::MLS000589835::SMR000217090::cid_12004634

SMILES CC(C)C(=O)N1CC2(C1)CN(c1ncnc3c1c1ccc(S(=O)(=O)NC4(C#N)CC4)cc1n3-c1nnc(C(F)F)s1)C2

InChI Key InChIKey=WJIKUAOFPFUTHI-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 = 83764   

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

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 83764BDBM83764(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