BDBM75810 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[4-(2-ethoxyphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]ethanone::1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[4-(2-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone::1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[4-o-phenetyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]ethanone::MLS000335810::SMR000253564::cid_2466937

SMILES COc1cc(NC(=O)c2cc3c(nc2N2CC4C(C2)C4(F)F)COC3)cc2c(C)cc(=O)[nH]c12

InChI Key InChIKey=GYDHJGWWPLSCAD-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 75810   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 75810BDBM75810(2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-N-(...)
Affinity DataKd:  17nMAssay 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 75810BDBM75810(2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-N-(...)
Affinity DataKd:  200nMAssay 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