BDBM72924 MLS001175955::N-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-2H-1-benzothiopyran-4-amine;oxalic acid::N-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine;ethanedioic acid::N-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine;oxalic acid::SMR000588194::cid_16341225::oxalic acid;thiochroman-4-yl(veratryl)amine

SMILES COc1ccc(CNC2CCSc3ccccc23)cc1OC

InChI Key InChIKey=HOESTZZJPCPFTH-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 = 72924   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 72924BDBM72924(((1R,4R,7R)-7-amino-2- azabicyclo[2.2.1]heptan-2- ...)
Affinity DataIC50: 7nMAssay 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 PCBioAssay