BDBM114372 5-amino-4-(1,3-benzothiazol-2-yl)-1-(3-methoxyphenyl)-2-pyrrolin-3-one::5-amino-4-(1,3-benzothiazol-2-yl)-1-(3-methoxyphenyl)-2H-pyrrol-3-one::5-azanyl-4-(1,3-benzothiazol-2-yl)-1-(3-methoxyphenyl)-2H-pyrrol-3-one::MLS000688054::SMR000284241::cid_725168

SMILES CC(C)c1cn(Cc2ccc(S(N)(=O)=O)c(-c3ccc(F)cn3)c2)c2nc(C3CC3)nn2c1=O

InChI Key InChIKey=ZGUSHZWMNURFRB-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 = 114372   

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

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 114372BDBM114372(US20260001886, Compound 21)
Affinity DataKd:  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

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

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 114372BDBM114372(US20260001886, Compound 21)
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

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

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 114372BDBM114372(US20260001886, Compound 21)
Affinity DataKd:  7.94E+3nMAssay 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 114372BDBM114372(US20260001886, Compound 21)
Affinity DataKd:  3.16E+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