BDBM75805 MLS000418558::N-[[(3E)-3-[4-(diethylamino)benzylidene]-2-morpholino-cyclopenten-1-yl]methyleneamino]-6-keto-1-methyl-nicotinamide::N-[[(3E)-3-[[4-(diethylamino)phenyl]methylidene]-2-(4-morpholinyl)-1-cyclopentenyl]methylideneamino]-1-methyl-6-oxo-3-pyridinecarboxamide::N-[[(3E)-3-[[4-(diethylamino)phenyl]methylidene]-2-morpholin-4-yl-cyclopenten-1-yl]methylideneamino]-1-methyl-6-oxidanylidene-pyridine-3-carboxamide::N-[[(3E)-3-[[4-(diethylamino)phenyl]methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide::SMR000265007::cid_12006241

SMILES COc1cc(NC(=O)c2cc3c(nc2C2=CCOCC2)COC3)cc2c(C)cc(=O)[nH]c12

InChI Key InChIKey=KMLXHMAYCCRLRY-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 = 75805   

TargetBromodomain-containing protein 4 [58-164](Human)
Nuevolution

US Patent
LigandChemical structure of BindingDB Monomer ID 75805BDBM75805(2-(3,6-dihydro-2H-pyran-4-yl)-N-(8-methoxy-4-methy...)
Affinity DataKd:  64nMAssay 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)
Nuevolution

US Patent
LigandChemical structure of BindingDB Monomer ID 75805BDBM75805(2-(3,6-dihydro-2H-pyran-4-yl)-N-(8-methoxy-4-methy...)
Affinity DataKd:  2.60E+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)
Nuevolution

US Patent
LigandChemical structure of BindingDB Monomer ID 75805BDBM75805(2-(3,6-dihydro-2H-pyran-4-yl)-N-(8-methoxy-4-methy...)
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