BDBM79829 2-(4-Ethyl-5-thiophen-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-1-naphthalen-2-yl-ethanone::2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-naphthalen-2-yl-ethanone::2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-naphthalen-2-ylethanone::2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-(2-naphthalenyl)ethanone::2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-1-(2-naphthyl)ethanone::MLS000558009::SMR000148725::cid_4438402

SMILES COc1ccccc1-c1ccc(C(=O)N(C)CC2COC2)c(S(C)(=O)=O)c1

InChI Key InChIKey=KHLQGTBTBLCMGX-UHFFFAOYSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 79829   

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

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 79829BDBM79829(US20250388560, Compound 30)
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