BDBM72778 (2R,6Z)-2-benzyl-4-(4-fluorobenzyl)-5-(4-methoxyphenyl)-1-[(E)-styryl]sulfonyl-5,8-dihydro-2H-1,4-diazocin-3-one::(2R,6Z)-2-benzyl-4-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)-1-[(E)-2-phenylethenyl]sulfonyl-5,8-dihydro-2H-1,4-diazocin-3-one::(2R,6Z)-4-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)-1-[(E)-2-phenylethenyl]sulfonyl-2-(phenylmethyl)-5,8-dihydro-2H-1,4-diazocin-3-one::MLS000517743::SMR000465269::cid_16746404

SMILES CC(C)Nc1c(C(=O)NCCC2CCS(=O)(=O)CC2)cnc2ccc(-c3cn[nH]c3)cc12

InChI Key InChIKey=VJANQTZSCAITRZ-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 = 72778   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 72778BDBM72778(US12492186, Example 112)
Affinity DataIC50: 4.30nMAssay 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