BDBM114394 MLS000775904::N-(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)-2-quinazolin-4-ylsulfanyl-ethanamide::N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-quinazolin-4-ylsulfanylacetamide::N-(2-methoxy-5-morpholinosulfonyl-phenyl)-2-(quinazolin-4-ylthio)acetamide::N-[2-methoxy-5-(4-morpholinylsulfonyl)phenyl]-2-(4-quinazolinylthio)acetamide::SMR000371023::cid_4648816

SMILES CC(C)c1cn(C[C@H]2C[C@H]3C[C@@H]2CN3S(N)(=O)=O)c2c3c(nn2c1=O)CCCC3

InChI Key InChIKey=PPYXMSMSXRUXNC-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 = 114394   

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

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 114394BDBM114394(US20260001886, Compound 39)
Affinity DataEC50:  0.158nMAssay 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

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

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 114394BDBM114394(US20260001886, Compound 39)
Affinity DataKd:  0.631nMAssay 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 114394BDBM114394(US20260001886, Compound 39)
Affinity DataKd:  7.94E+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 114394BDBM114394(US20260001886, Compound 39)
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