BDBM75809 2-amino-4-(cyanomethyl)-6-(3-methylanilino)pyridine-3,5-dicarbonitrile::2-amino-4-(cyanomethyl)-6-(m-toluidino)dinicotinonitrile::2-azanyl-4-(cyanomethyl)-6-[(3-methylphenyl)amino]pyridine-3,5-dicarbonitrile::MLS000408976::SMR000263963::cid_2339127

SMILES COc1cc(NC(=O)c2cc3c(nc2N2CC4CC2(C)C4)COC3)cc2c(C)cc(=O)[nH]c12

InChI Key InChIKey=ZYYJDKZGLZHCRL-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 = 75809   

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

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 75809BDBM75809(N-(8-methoxy-4-methyl-2-oxo-1H-quinolin-6-yl)-2-(1...)
Affinity DataKd:  29nMAssay 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 75809BDBM75809(N-(8-methoxy-4-methyl-2-oxo-1H-quinolin-6-yl)-2-(1...)
Affinity DataKd: >5.00E+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