BDBM114412 4-(4-methylphenyl)-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylic acid::4-(4-methylphenyl)-2-[(3,4,5-trimethoxyphenyl)carbonylamino]thiophene-3-carboxylic acid::4-(4-methylphenyl)-2-[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]-3-thiophenecarboxylic acid::4-(p-tolyl)-2-[(3,4,5-trimethoxybenzoyl)amino]-3-thenoic acid::4-p-Tolyl-2-(3,4,5-trimethoxy-benzoylamino)-thiophene-3-carboxylic acid::MLS001207050::SMR000523517::cid_1082733

SMILES CC(C)c1cn(Cc2ccc(S(=N)(=O)C3CC3)cc2)c2nc(C3CC3)nn2c1=O

InChI Key InChIKey=KYAWUDLEPXHMHZ-UHFFFAOYSA-N

Data  1 IC50

  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 = 114412   

TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 114412BDBM114412(US20260001886, Compound 54)
Affinity DataEC50:  1.26nMAssay Description:Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/13/2026
Entry Details
US Patent