BDBM72931 2-[[2-(4-bromo-3-methyl-anilino)-2-keto-ethyl]-ethyl-amino]-N-(3-methoxyphenyl)acetamide::2-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide::2-[[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-ethyl-amino]-N-(3-methoxyphenyl)ethanamide::MLS001175369::SMR000588670::cid_2113767

SMILES COc1cc(C(=O)N2C[C@H]3CC[C@@H]2[C@@H]3N)cc2nc3n(c12)Cc1cccc(c1)[C@@H]1CN(C)C[C@@H]1CCCCn1c-3cc2cccnc21

InChI Key InChIKey=CCVGNVDYXOHKGM-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 = 72931   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 72931BDBM72931(((1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl...)
Affinity DataIC50: 49.7nMAssay 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