BDBM83779 MLS000393669::N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-nitro-4-(1-pyrrolidinylsulfonyl)aniline::N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline::N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-nitro-4-pyrrolidin-1-ylsulfonylaniline::SMR000241458::cid_3878398::homoveratryl-methyl-(2-nitro-4-pyrrolidinosulfonyl-phenyl)amine

SMILES CC(C)C(=O)N1C[C@H](C)N(c2ncnc3c2c2ccc(S(=O)(=O)NC4(C#N)CC4)cc2n3-c2nnc(C(F)F)s2)C[C@H]1C

InChI Key InChIKey=APDYFAAMAXXIBS-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
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 83779   

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

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 83779BDBM83779(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