BDBM72648 MLS000834090::N-[3-(N-ethyl-3-methyl-anilino)propyl]-4-(3-keto-6-methyl-1,4-benzoxazin-4-yl)butyramide::N-[3-(N-ethyl-3-methylanilino)propyl]-4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)butanamide::N-[3-[ethyl-(3-methylphenyl)amino]propyl]-4-(6-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)butanamide::N-{3-[ethyl(3-methylphenyl)amino]propyl}-4-(6-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butanamide::SMR000031888::cid_3245304

SMILES CC(C)(NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)C1c2ccccc2-c2ccccc21)c1ccccc1

InChI Key InChIKey=XGOPPGMYKJZUOZ-UHFFFAOYSA-N

Data  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 72648   

TargetCarboxylic ester hydrolase(Horse)
Uniwersytet Jagiellonski

US Patent
LigandChemical structure of BindingDB Monomer ID 72648BDBM72648(US12492163, Name (24))
Affinity DataIC50: 2.84E+3nMAssay 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

TargetBeta-secretase 1(Human)
Uniwersytet Jagiellonski

US Patent
LigandChemical structure of BindingDB Monomer ID 72648BDBM72648(US12492163, Name (24))
Affinity DataIC50: 5.15E+3nMAssay 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