BDBM114422 1-(1-acetyl-2-methyl-indolin-5-yl)sulfonyl-N-(3,5-dimethylphenyl)nipecotamide::1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(3,5-dimethylphenyl)-3-piperidinecarboxamide::1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(3,5-dimethylphenyl)piperidine-3-carboxamide::MLS001122629::N-(3,5-dimethylphenyl)-1-[(1-ethanoyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]piperidine-3-carboxamide::SMR000628409::cid_20901978

SMILES [2H]C([2H])([2H])S(=N)(=O)c4ccc(Cn2cc(C(C)C)c(=O)n3nc(C1CC1)nc23)cc4

InChI Key InChIKey=ZNOAYIBUHQKWSP-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 = 114422   

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

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 114422BDBM114422(US20260001886, Compound 60)
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 114422BDBM114422(US20260001886, Compound 60)
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 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 114422BDBM114422(US20260001886, Compound 60)
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 2(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 114422BDBM114422(US20260001886, Compound 60)
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