BDBM72935 (E)-3-(2-phenyl-1-cyclopenta[b][1]benzopyranyl)-2-propenal::(E)-3-(2-phenylcyclopenta[b]chromen-1-yl)acrolein::(E)-3-(2-phenylcyclopenta[b]chromen-1-yl)prop-2-enal::MLS001171724::SMR000589223::cid_2468362

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

InChI Key InChIKey=ZPHNFGLRMQBLDA-UHFFFAOYSA-N

Data  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 72935   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 72935BDBM72935(((1R,4R,7R)-7-amino-2- azabicyclo[2.2.1]heptan-2- ...)
Affinity DataIC50: 30.6nMAssay 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