BDBM79846 4-({[4-allyl-5-(3-chloro-4-methylphenyl)-4H-1,2,4-triazol-3-yl]thio}methyl)-N-1,3-thiazol-2-ylbenzamide::4-[[5-(3-chloranyl-4-methyl-phenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(1,3-thiazol-2-yl)benzamide::4-[[5-(3-chloro-4-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(1,3-thiazol-2-yl)benzamide::4-[[[4-allyl-5-(3-chloro-4-methyl-phenyl)-1,2,4-triazol-3-yl]thio]methyl]-N-thiazol-2-yl-benzamide::4-[[[5-(3-chloro-4-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]-N-(2-thiazolyl)benzamide::MLS000581495::SMR000200122::cid_2212798

SMILES CN(CC1CCCCC1)C(=O)c1ccc(-c2ccccc2C(C)(C)O)cc1S(C)(=O)=O

InChI Key InChIKey=GHVNLWJHYZBHBO-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 = 79846   

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

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 79846BDBM79846(US20250388560, Compound 42)
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