BDBM72943 4-[5-(4-hydroxyphenyl)-1H-pyrimidin-2-ylidene]-1-cyclohexa-2,5-dienone::4-[5-(4-hydroxyphenyl)-1H-pyrimidin-2-ylidene]cyclohexa-2,5-dien-1-one::MLS001167395::SMR000640736::cid_5377658

SMILES COc1cc(C(=O)N2C[C@H]3CC[C@@H]2[C@@H]3N)cc2nc3n(c12)Cc1cncc(c1)-c1ccccc1CCCCn1c-3cc2ccc(C(C)(C)O)nc21

InChI Key InChIKey=ITUZOIZYIXRGNT-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 = 72943   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 72943BDBM72943(((1R,4R,7R)-7-Amino-2-azabicyclo[2.2.1]heptan-2-yl...)
Affinity DataIC50: 14nMAssay 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