BDBM79836 4-(2-Chloro-phenyl)-2-ethylsulfanyl-6-hydroxy-5-(thiophene-2-carbonyl)-6-trifluoromethyl-1,4,5,6-tetrahydro-pyridine-3-carbonitrile::4-(2-chlorophenyl)-6-(ethylthio)-2-hydroxy-3-(2-thenoyl)-2-(trifluoromethyl)-3,4-dihydro-1H-pyridine-5-carbonitrile::4-(2-chlorophenyl)-6-(ethylthio)-2-hydroxy-3-[oxo(thiophen-2-yl)methyl]-2-(trifluoromethyl)-3,4-dihydro-1H-pyridine-5-carbonitrile::4-(2-chlorophenyl)-6-ethylsulfanyl-2-hydroxy-3-(thiophene-2-carbonyl)-2-(trifluoromethyl)-3,4-dihydro-1H-pyridine-5-carbonitrile::4-(2-chlorophenyl)-6-ethylsulfanyl-2-oxidanyl-3-thiophen-2-ylcarbonyl-2-(trifluoromethyl)-3,4-dihydro-1H-pyridine-5-carbonitrile::MLS000563879::SMR000176683::cid_3128167

SMILES COc1ccccc1-c1ccc(C(=O)N(C)[C@H](C)C2CCCC2)c(S(C)(=O)=O)c1

InChI Key InChIKey=FKSWTJGLQSNEBW-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
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 79836   

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

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 79836BDBM79836(US20250388560, Compound 33)
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