BDBM72897 (E)-phenyl(pyridin-4-yl)methanone O-butyryloxime::MLS001197072::SMR000555658::[[phenyl(pyridin-4-yl)methylidene]amino] butanoate::butanoic acid [[phenyl(pyridin-4-yl)methylidene]amino] ester::butyric acid [[phenyl(4-pyridyl)methylene]amino] ester::cid_5110445

SMILES COc1cc(C(=O)N2CC3CCC2[C@@H]3N)cc2nc3n(c12)Cc1cnn(c1)CCCCCCCn1c-3cc2cccnc21

InChI Key InChIKey=WSFAFONVIRLAJO-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 = 72897   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 72897BDBM72897(((7R)-7-amino-2- azabicyclo[2.2.1]heptan-2- yl)((Z...)
Affinity DataIC50: 137nMAssay 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