BDBM79803 2-[[2-[(1-cyclopentyl-6-hydroxy-4-keto-pyrimidin-2-yl)thio]acetyl]amino]benzoic acid methyl ester::2-[[2-[(1-cyclopentyl-6-hydroxy-4-oxo-2-pyrimidinyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester::MLS000056065::SMR000067168::cid_2079613::methyl 2-[2-(1-cyclopentyl-6-oxidanyl-4-oxidanylidene-pyrimidin-2-yl)sulfanylethanoylamino]benzoate::methyl 2-[[2-(1-cyclopentyl-6-hydroxy-4-oxopyrimidin-2-yl)sulfanylacetyl]amino]benzoate

SMILES CSc1ccccc1-c1ccc(C(=O)N(C)[C@H](C)C2CCC2)c(S(C)(=O)=O)c1

InChI Key InChIKey=AVKCHYMKYJVLNX-UHFFFAOYSA-N

Data  2 IC50

  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 = 79803   

TargetE3 ubiquitin-protein ligase TRIM21(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 79803BDBM79803(US20250388560, Compound 14)
Affinity DataKd:  550nMAssay 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