BDBM79831 4-[(3,5-dimethyl-4-isoxazolyl)methoxy]benzoic acid [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] ester::4-[(3,5-dimethylisoxazol-4-yl)methoxy]benzoic acid [2-keto-2-(3-keto-2,4-dihydroquinoxalin-1-yl)ethyl] ester::MLS000565819::SMR000152896::[2-oxidanylidene-2-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)ethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate::[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate::cid_2105000

SMILES COc1ccccc1-c1ccc(C(=O)N(C)C(C)C2COC2)c(S(C)(=O)=O)c1

InChI Key InChIKey=HTWFLPBAXWPSKY-UHFFFAOYSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 79831   

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

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 79831BDBM79831(US20250388560, Compound 31)
Affinity DataKd:  5.50E+3nMAssay 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