BDBM72899 3-[1-(4-amino-1,3-dimethyl-2,6-dioxo-5-pyrimidinyl)-2-nitroethyl]-6-(dimethylamino)-2-fluorobenzonitrile::3-[1-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-nitroethyl]-6-(dimethylamino)-2-fluorobenzonitrile::3-[1-(4-amino-2,6-diketo-1,3-dimethyl-pyrimidin-5-yl)-2-nitro-ethyl]-6-(dimethylamino)-2-fluoro-benzonitrile::3-[1-[4-azanyl-1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-5-yl]-2-nitro-ethyl]-6-(dimethylamino)-2-fluoranyl-benzenecarbonitrile::MLS001182310::SMR000567989::cid_2732794

SMILES CN(C)c1ccc(C(C[N+]([O-])=O)c2c(N)n(C)c(=O)n(C)c2=O)c(F)c1C#N

InChI Key InChIKey=ZJZCCPYDUMJHKX-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 = 72899   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 72899BDBM72899(((7R)-7-amino-2- azabicyclo[2.2.1]heptan-2- yl)((E...)
Affinity DataIC50: 47nMAssay 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