BDBM72896 2,5-dimethyl-1-phenyl-4-[(2-phenylethylamino)methyl]-3-pyrrolecarboxylic acid::2,5-dimethyl-1-phenyl-4-[(2-phenylethylamino)methyl]pyrrole-3-carboxylic acid::2,5-dimethyl-1-phenyl-4-{[(2-phenylethyl)amino]methyl}-1H-pyrrole-3-carboxylic acid::2,5-dimethyl-4-[(phenethylamino)methyl]-1-phenyl-pyrrole-3-carboxylic acid::MLS001201306::SMR000564020::cid_20958059

SMILES COc1cc(C(=O)N2C[C@H](N)C[C@@H](F)C2)cc2nc3n(c12)Cc1cnn(c1)CCCCCCCn1c-3cc2cccnc21

InChI Key InChIKey=PRPNEKPFNNNJHG-UHFFFAOYSA-N

Data  2 IC50  3 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 = 72896   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 72896BDBM72896(((3R,5R)-3-amino-5- fluoropiperidin-1-yl)((Z)-27- ...)
Affinity DataIC50: 612nMAssay 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