BDBM73114 MLS001162188::N-(2-hydroxy-5-methyl-phenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetamide::N-(2-hydroxy-5-methylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide::N-(2-hydroxy-5-methylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetamide::N-(5-methyl-2-oxidanyl-phenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide::SMR000670647::cid_6459719

SMILES COc1ccc(/C=C/C=C/C(=O)c2ccc3c(c2)OCO3)cc1

InChI Key InChIKey=BXDKNKJTOFDFIW-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 = 73114   

TargetAmine oxidase [flavin-containing] B(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 73114BDBM73114(US20250382276, Compound 3)
Affinity DataIC50: 910nMAssay 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:
4/29/2026
Entry Details
US Patent

TargetAmine oxidase [flavin-containing] A(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 73114BDBM73114(US20250382276, Compound 3)
Affinity DataIC50: 3.15E+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:
4/29/2026
Entry Details
US Patent