BDBM72903 (2-oxidanylideneoxolan-3-yl) 5-chloranyl-2-nitro-benzoate::(2-oxooxolan-3-yl) 5-chloro-2-nitrobenzoate::5-chloro-2-nitro-benzoic acid (2-ketotetrahydrofuran-3-yl) ester::5-chloro-2-nitrobenzoic acid (2-oxo-3-oxolanyl) ester::MLS001176936::SMR000590194::cid_4313384

SMILES COc1cc(C(=O)N2CC3CCC2[C@@H]3N)cc2nc3n(c12)Cc1cnn(c1)-c1ccccc1OCCCn1c-3cc2cccnc21

InChI Key InChIKey=VOHWOWJJXJSYOF-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 = 72903   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 72903BDBM72903(((7R)-7-amino-2- azabicyclo[2.2.1]heptan-2- yl)((Z...)
Affinity DataIC50: 15nMAssay 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