BDBM75842 1-benzyl-5-[3-(tert-butylamino)-2-hydroxy-propoxy]-2-methyl-indole-3-carboxylic acid ethyl ester::5-[3-(tert-butylamino)-2-hydroxypropoxy]-2-methyl-1-(phenylmethyl)-3-indolecarboxylic acid ethyl ester::MLS001196476::SMR000556296::cid_2921884::ethyl 1-benzyl-5-[3-(tert-butylamino)-2-hydroxypropoxy]-2-methyl-1H-indole-3-carboxylate::ethyl 1-benzyl-5-[3-(tert-butylamino)-2-hydroxypropoxy]-2-methylindole-3-carboxylate::ethyl 5-[3-(tert-butylamino)-2-oxidanyl-propoxy]-2-methyl-1-(phenylmethyl)indole-3-carboxylate

SMILES COc1cc(NC(=O)c2cc3c(nc2N2CCOCC2)CCC3)cc2c(C)cc(=O)[nH]c12

InChI Key InChIKey=NJRTVOHNUFWLMU-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 3 hits for monomerid = 75842   

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

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 75842BDBM75842(N-(8-methoxy-4-methyl-2-oxo-1H-quinolin-6-yl)-2-mo...)
Affinity DataKd:  18nMAssay 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 75842BDBM75842(N-(8-methoxy-4-methyl-2-oxo-1H-quinolin-6-yl)-2-mo...)
Affinity DataKd:  1.90E+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 75842BDBM75842(N-(8-methoxy-4-methyl-2-oxo-1H-quinolin-6-yl)-2-mo...)
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