BDBM114356 1-methyl-3-(4-methylphenyl)sulfanyl-4-oxidanyl-quinolin-2-one::4-hydroxy-1-methyl-3-(4-methylphenyl)sulfanylquinolin-2-one::4-hydroxy-1-methyl-3-(p-tolylthio)carbostyril::4-hydroxy-1-methyl-3-[(4-methylphenyl)sulfanyl]-2(1H)-quinolinone::4-hydroxy-1-methyl-3-[(4-methylphenyl)thio]-2-quinolinone::MLS000699512::SMR000226666::cid_54710218

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

InChI Key InChIKey=HGINECSUHNZQGL-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 114356   

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

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 114356BDBM114356(US20260001886, Compound 11)
Affinity DataEC50:  1.58nMAssay 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

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

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 114356BDBM114356(US20260001886, Compound 11)
Affinity DataKd:  7.94nMAssay 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

TargetCarbonic anhydrase 2(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 114356BDBM114356(US20260001886, Compound 11)
Affinity DataKd:  79.4nMAssay 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

TargetCarbonic anhydrase 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 114356BDBM114356(US20260001886, Compound 11)
Affinity DataKd:  158nMAssay 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