BDBM72920 3-benzyl-7-(3-methoxypropyl)-8-(4-prop-2-enoxyphenyl)purine-2,6-dione::7-(3-methoxypropyl)-3-(phenylmethyl)-8-(4-prop-2-enoxyphenyl)purine-2,6-dione::8-(4-allyloxyphenyl)-3-benzyl-7-(3-methoxypropyl)xanthine::MLS001174420::SMR000591702::cid_4010129

SMILES COc1cc(C(=O)N2CC3CCC2[C@@H]3N)cc2nc3n(c12)Cc1cc(ccn1)-c1ccccc1CCCCn1c-3cc2cccnc21

InChI Key InChIKey=HHTCIXJVYPLULD-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 = 72920   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 72920BDBM72920(((1R,4R,7R)-7-amino-2- azabicyclo[2.2.1]heptan-2- ...)
Affinity DataIC50: 112nMAssay 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