BDBM79821 2-benzofurancarboxylic acid 4-(1,3-benzoxazol-2-ylthio)but-2-ynyl ester::4-(1,3-benzoxazol-2-ylsulfanyl)but-2-ynyl 1-benzofuran-2-carboxylate::Benzofuran-2-carboxylic acid 4-(benzooxazol-2-ylsulfanyl)-but-2-ynyl ester::MLS000527736::SMR000120310::cid_1888033::coumarilic acid 4-(1,3-benzoxazol-2-ylthio)but-2-ynyl ester

SMILES CSc1ccccc1-c1ccc(C(=O)N(C)CC2CCOCC2)c(S(C)(=O)=O)c1

InChI Key InChIKey=CDCFSINNCBTHAU-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 = 79821   

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

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 79821BDBM79821(US20250388560, Compound 23)
Affinity DataKd:  55nMAssay 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