BDBM72787 2-[3-(trifluoromethyl)phenyl]sulfanylpyridin-3-ol::2-[[3-(trifluoromethyl)phenyl]thio]-3-pyridinol::2-[[3-(trifluoromethyl)phenyl]thio]pyridin-3-ol::2-{[3-(trifluoromethyl)phenyl]sulfanyl}-3-pyridinol::MLS001180936::SMR000476532::cid_902004

SMILES CC1(Nc2c(C(=O)NCCC3CCS(=O)(=O)CC3)cnc3ccc(-c4cn[nH]c4)cc23)CC1

InChI Key InChIKey=VYSNJZIAYAHDLB-UHFFFAOYSA-N

Data  1 EC50

  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 = 72787   

TargetInterleukin-1 receptor-associated kinase 4(Human)
Bristol-Myers Squibb

US Patent
LigandChemical structure of BindingDB Monomer ID 72787BDBM72787(US12492186, Example 120)
Affinity DataIC50: 8.70nMAssay Description:Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/20/2026
Entry Details
US Patent