BDBM114398 (5-Phenyl-thieno[2,3-d]pyrimidin-4-ylsulfanyl)-acetic acid::2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid::2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanoic acid::2-[(5-phenyl-4-thieno[2,3-d]pyrimidinyl)thio]acetic acid::2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)thio]acetic acid::MLS000777123::SMR000413519::cid_724891

SMILES COc1cccc2c1nn1c(=O)c(C(C)C)cn(C[C@H]3C[C@H]4C[C@@H]3CN4S(N)(=O)=O)c21

InChI Key InChIKey=NHKGPOMUILRMLW-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 = 114398   

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

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 114398BDBM114398(US20260001886, Compound 42)
Affinity DataEC50:  0.794nMAssay 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 114398BDBM114398(US20260001886, Compound 42)
Affinity DataKd:  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 114398BDBM114398(US20260001886, Compound 42)
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

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

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 114398BDBM114398(US20260001886, Compound 42)
Affinity DataKd:  1.00E+6nMAssay 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