BDBM75827 2-(3-acetylphenoxy)-1-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]ethanone::2-(3-acetylphenoxy)-1-[4-[5-(trifluoromethyl)-2-pyridyl]piperazino]ethanone::2-(3-acetylphenoxy)-1-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]ethanone::2-(3-ethanoylphenoxy)-1-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]ethanone::MLS000770154::SMR000343635::cid_4878098

SMILES COc1cc(NC(=O)c2cc3c(nc2N2C4CCC2COC4)COC3)cc2c(C)cc(=O)[nH]c12

InChI Key InChIKey=PCQWIJAFZTWDHF-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 3 hits for monomerid = 75827   

TargetBromodomain-containing protein 4 [58-164](Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 75827BDBM75827(N-(8-methoxy-4-methyl-2-oxo-1H-quinolin-6-yl)-2-(3...)
Affinity DataKd:  25nMAssay Description:Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/29/2026
Entry Details
US Patent

TargetBromodomain-containing protein 4 [353-454](Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 75827BDBM75827(N-(8-methoxy-4-methyl-2-oxo-1H-quinolin-6-yl)-2-(3...)
Affinity DataKd:  1.10E+3nMAssay Description:Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/29/2026
Entry Details
US Patent

TargetcGMP-inhibited 3',5'-cyclic phosphodiesterase 3A(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 75827BDBM75827(N-(8-methoxy-4-methyl-2-oxo-1H-quinolin-6-yl)-2-(3...)
Affinity DataIC50: 1.00E+4nMAssay Description:Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/29/2026
Entry Details
US Patent