BDBM114416 3-(1,3-benzodioxol-5-yl)-8-[(dimethylamino)methyl]-6-ethyl-7-hydroxy-1-benzopyran-4-one::3-(1,3-benzodioxol-5-yl)-8-[(dimethylamino)methyl]-6-ethyl-7-hydroxy-chromone::3-(1,3-benzodioxol-5-yl)-8-[(dimethylamino)methyl]-6-ethyl-7-hydroxychromen-4-one::3-(1,3-benzodioxol-5-yl)-8-[(dimethylamino)methyl]-6-ethyl-7-oxidanyl-chromen-4-one::MLS001164289::SMR000539645::cid_1181832

SMILES CC(C)c1cn(Cc2ccc(S(C)(=N)=O)cc2)c2cc(C3CC3)nn2c1=O

InChI Key InChIKey=GYQXMQJFFWCMNS-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 = 114416   

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

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 114416BDBM114416(US20260001886, Compound 57)
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

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

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 114416BDBM114416(US20260001886, Compound 57)
Affinity DataEC50:  1nMAssay 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 114416BDBM114416(US20260001886, Compound 57)
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

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

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 114416BDBM114416(US20260001886, Compound 57)
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