BDBM79808 5-(1,3-benzothiazol-2-yl)-2-methoxy-phenol::5-(1,3-benzothiazol-2-yl)-2-methoxyphenol::MLS000063598::SMR000075200::cid_976322

SMILES COc1cc(CN(C)C(=O)c2ccc(-c3ccccc3SC)cc2S(C)(=O)=O)ccn1

InChI Key InChIKey=BWCLPNGLALERQB-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 = 79808   

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

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 79808BDBM79808(US20250388560, Compound 16)
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