BDBM75811 MLS000702066::N-(3,4-dimethylphenyl)-2-[[4-methyl-5-(4-morpholinylmethyl)-1,2,4-triazol-3-yl]thio]acetamide::N-(3,4-dimethylphenyl)-2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide::N-(3,4-dimethylphenyl)-2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide::N-(3,4-dimethylphenyl)-2-[[4-methyl-5-(morpholinomethyl)-1,2,4-triazol-3-yl]thio]acetamide::N-(3,4-dimethylphenyl)-2-{[4-methyl-5-(4-morpholinylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide::SMR000226573::cid_1211193

SMILES COc1cc(NC(=O)c2cc3c(nc2N(C)C)COC3)cc2c(C)cc(=O)[nH]c12

InChI Key InChIKey=BSLDXTFRRZTHEJ-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 3 hits for monomerid = 75811   

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

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 75811BDBM75811(2-(dimethylamino)-N-(8-methoxy-4-methyl-2-oxo-1H-q...)
Affinity DataKd:  120nMAssay 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 75811BDBM75811(2-(dimethylamino)-N-(8-methoxy-4-methyl-2-oxo-1H-q...)
Affinity DataKd:  1.30E+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 75811BDBM75811(2-(dimethylamino)-N-(8-methoxy-4-methyl-2-oxo-1H-q...)
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