BDBM114331 2-(2-Ethyl-quinazolin-4-ylsulfanyl)-1-phenothiazin-10-yl-ethanone::2-(2-ethylquinazolin-4-yl)sulfanyl-1-phenothiazin-10-yl-ethanone::2-(2-ethylquinazolin-4-yl)sulfanyl-1-phenothiazin-10-ylethanone::2-[(2-ethyl-4-quinazolinyl)thio]-1-(10-phenothiazinyl)ethanone::2-[(2-ethylquinazolin-4-yl)thio]-1-phenothiazin-10-yl-ethanone::MLS000555763::SMR000172945::cid_1435033

SMILES CC(C)c1cn(Cc2ccc([S@](C)(=N)=O)cc2)c2nc(C3CC3)nn2c1=O

InChI Key InChIKey=HMROKRSPIQUEHJ-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 114331   

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

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 114331BDBM114331(US20260001886, Compound 7A)
Affinity DataKd:  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 114331BDBM114331(US20260001886, Compound 7A)
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 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 114331BDBM114331(US20260001886, Compound 7A)
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 2(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 114331BDBM114331(US20260001886, Compound 7A)
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