BDBM83785 (5E)-1-benzyl-5-[(1-methylpyrrol-2-yl)methylene]barbituric acid::(5E)-1-benzyl-5-[(1-methylpyrrol-2-yl)methylidene]-1,3-diazinane-2,4,6-trione::(5E)-5-[(1-methyl-2-pyrrolyl)methylidene]-1-(phenylmethyl)-1,3-diazinane-2,4,6-trione::(5E)-5-[(1-methylpyrrol-2-yl)methylidene]-1-(phenylmethyl)-1,3-diazinane-2,4,6-trione::1-Benzyl-5-[1-(1-methyl-1H-pyrrol-2-yl)-meth-(E)-ylidene]-pyrimidine-2,4,6-trione::MLS000587054::SMR000211086::cid_1916319

SMILES COC1CCN(c2ncnc3c2c2ccc(S(=O)(=O)NC4(C#N)CC4)cc2n3-c2nnc(C(F)F)s2)CC1

InChI Key InChIKey=NDLGXFLRQWAXEY-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 = 83785   

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

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 83785BDBM83785(US20250388589, Example 44)
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