BDBM75844 (Z)-3-[3,4-bis(oxidanyl)phenyl]-N-[(4-chlorophenyl)methyl]-2-cyano-prop-2-enamide::(Z)-N-(4-chlorobenzyl)-2-cyano-3-(3,4-dihydroxyphenyl)acrylamide::(Z)-N-[(4-chlorophenyl)methyl]-2-cyano-3-(3,4-dihydroxyphenyl)-2-propenamide::(Z)-N-[(4-chlorophenyl)methyl]-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamide::MLS001166668::SMR000590491::cid_2389630

SMILES COc1cc(NC(=O)c2cc3c(nc2N2CCOCC2)COC3C)cc2c(C)cc(=O)[nH]c12

InChI Key InChIKey=WVOXRYIKDPXAGZ-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 2 hits for monomerid = 75844   

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

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 75844BDBM75844(N-(8-methoxy-4-methyl-2-oxo-1H-quinolin-6-yl)-5-me...)
Affinity DataKd:  22nMAssay 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 75844BDBM75844(N-(8-methoxy-4-methyl-2-oxo-1H-quinolin-6-yl)-5-me...)
Affinity DataKd:  1.00E+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