BDBM75829 2-(3-chlorophenyl)-3-methyl-4-quinolinecarboxylic acid [2-[(1,1-dioxo-3-thiolanyl)-methylamino]-2-oxoethyl] ester::2-(3-chlorophenyl)-3-methyl-cinchoninic acid [2-[(1,1-diketothiolan-3-yl)-methyl-amino]-2-keto-ethyl] ester::MLS000771741::SMR000376403::[2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 2-(3-chlorophenyl)-3-methylquinoline-4-carboxylate::[2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]-2-oxidanylidene-ethyl] 2-(3-chlorophenyl)-3-methyl-quinoline-4-carboxylate::cid_3996045

SMILES COc1cc(NC(=O)c2cc3c(nc2N2CC4CCOC4C2)COC3)cc2c(C)cc(=O)[nH]c12

InChI Key InChIKey=WNJYVPDUXMZDLA-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 75829   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 75829BDBM75829(2-(2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl)-...)
Affinity DataKd:  180nMAssay 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 75829BDBM75829(2-(2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl)-...)
Affinity DataKd:  5.60E+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