BDBM72894 2-[[[cyclohexyl(thiophen-2-ylmethyl)amino]-sulfanylidenemethyl]amino]-N-hexylacetamide::2-[[cyclohexyl(2-thenyl)thiocarbamoyl]amino]-N-hexyl-acetamide::2-[[cyclohexyl(thiophen-2-ylmethyl)carbamothioyl]amino]-N-hexyl-ethanamide::2-[[cyclohexyl(thiophen-2-ylmethyl)carbamothioyl]amino]-N-hexylacetamide::MLS001200765::N~2~-{[cyclohexyl(thien-2-ylmethyl)amino]carbonothioyl}-N~1~-hexylglycinamide::SMR000564485::cid_24761560

SMILES CCCCCCNC(=O)CNC(=S)N(Cc1cccs1)C1CCCCC1

InChI Key InChIKey=ICTMGDKLQFFXBT-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 = 72894   

TargetProtein-arginine deiminase type-4(Human)
Bristol-Myers Squibb

US Patent
LigandChemical structure of BindingDB Monomer ID 72894BDBM72894(((3R,5R)-3-amino-5- fluoropiperidin-1-yl)((Z)-27- ...)
Affinity DataIC50: 136nMAssay 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