BDBM75813 (5E)-1-(1,3-benzodioxol-5-yl)-5-[(5-pyrrolidin-1-ylfuran-2-yl)methylidene]-1,3-diazinane-2,4,6-trione::(5E)-1-(1,3-benzodioxol-5-yl)-5-[(5-pyrrolidino-2-furyl)methylene]barbituric acid::(5E)-1-(1,3-benzodioxol-5-yl)-5-[[5-(1-pyrrolidinyl)-2-furanyl]methylidene]-1,3-diazinane-2,4,6-trione::1-(1,3-benzodioxol-5-yl)-5-{[5-(1-pyrrolidinyl)-2-furyl]methylene}-2,4,6(1H,3H,5H)-pyrimidinetrione::MLS000666523::SMR000268852::cid_2275963

SMILES Cc1cc(=O)[nH]c2c(C)cc(NC(=O)c3cc4c(nc3N3CCOCC3)COC4)cc12

InChI Key InChIKey=AKOJYKJGTDIWTK-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 75813   

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

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 75813BDBM75813(N-(4,8-dimethyl-2-oxo-1H-quinolin-6-yl)-2-morpholi...)
Affinity DataKd:  40nMAssay 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 75813BDBM75813(N-(4,8-dimethyl-2-oxo-1H-quinolin-6-yl)-2-morpholi...)
Affinity DataKd:  7.10E+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 75813BDBM75813(N-(4,8-dimethyl-2-oxo-1H-quinolin-6-yl)-2-morpholi...)
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