BDBM72937 1-(4-cumylphenoxy)-3-(p-anisylamino)propan-2-ol;oxalic acid::1-[(4-methoxyphenyl)methylamino]-3-[4-(2-phenylpropan-2-yl)phenoxy]-2-propanol;oxalic acid::1-[(4-methoxyphenyl)methylamino]-3-[4-(2-phenylpropan-2-yl)phenoxy]propan-2-ol;oxalic acid::MLS001177481::SMR000588166::cid_16246283::ethanedioic acid;1-[(4-methoxyphenyl)methylamino]-3-[4-(2-phenylpropan-2-yl)phenoxy]propan-2-ol

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=OCOYTIKNDKJCNO-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 = 72937   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 72937BDBM72937(((1R,4R,7R)-7-amino-2- azabicyclo[2.2.1]heptan-2- ...)
Affinity DataIC50: 88nMAssay 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