BDBM72929 MLS001173152::N-[2-[(4-ethoxy-3-methoxy-benzyl)-methyl-amino]-2-keto-ethyl]-2-naphthamide::N-[2-[(4-ethoxy-3-methoxy-phenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl]naphthalene-2-carboxamide::N-[2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-2-naphthalenecarboxamide::N-[2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]naphthalene-2-carboxamide::SMR000594916::cid_4787056

SMILES COc1cc(C(=O)N2C[C@H]3CC[C@@H]2[C@@H]3N)cc2nc3n(c12)CCC(=O)Nc1ccccc1OCCCn1c-3cc2cccnc21

InChI Key InChIKey=MRPAXOLBKIZCRZ-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 = 72929   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 72929BDBM72929(21-((1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptane-...)
Affinity DataIC50: 30nMAssay 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