BDBM114396 MLS001004873::N-methyl-2-[4-(1-methylimidazol-2-yl)carbonylquinolin-2-yl]sulfanyl-N-phenyl-ethanamide::N-methyl-2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanyl-N-phenylacetamide::N-methyl-2-[[4-(1-methylimidazole-2-carbonyl)-2-quinolyl]thio]-N-phenyl-acetamide::N-methyl-2-[[4-[(1-methyl-2-imidazolyl)-oxomethyl]-2-quinolinyl]thio]-N-phenylacetamide::SMR000348420::cid_5008348

SMILES CC(C)c1cn(Cc2ccc(S(C)(=N)=O)cc2)c2c3c(nn2c1=O)COC3

InChI Key InChIKey=UVXRRTUPOSDVOC-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 114396   

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

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 114396BDBM114396(US20260001886, Compound 40)
Affinity DataKd:  0.398nMAssay 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 114396BDBM114396(US20260001886, Compound 40)
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

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

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 114396BDBM114396(US20260001886, Compound 40)
Affinity DataKd: >1.00E+8nMAssay 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 114396BDBM114396(US20260001886, Compound 40)
Affinity DataKd: >1.00E+8nMAssay 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