BDBM75838 1-[4-(7-chloranylquinolin-4-yl)piperazin-1-yl]-2,2-dimethyl-propan-1-one::1-[4-(7-chloro-4-quinolinyl)-1-piperazinyl]-2,2-dimethyl-1-propanone::1-[4-(7-chloro-4-quinolyl)piperazino]-2,2-dimethyl-propan-1-one::1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one::7-chloro-4-[4-(2,2-dimethylpropanoyl)-1-piperazinyl]quinoline::MLS001163133::SMR000499445::cid_6473691

SMILES CCN(CC)c1nc2c(cc1C(=O)Nc1cc(OC)c3[nH]c(=O)cc(C)c3c1)COC2

InChI Key InChIKey=DATSZDNCFORZEM-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 = 75838   

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

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 75838BDBM75838(2-(diethylamino)-N-(8-methoxy-4-methyl-2-oxo-1H-qu...)
Affinity DataKd:  25nMAssay 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 75838BDBM75838(2-(diethylamino)-N-(8-methoxy-4-methyl-2-oxo-1H-qu...)
Affinity DataKd:  600nMAssay 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 75838BDBM75838(2-(diethylamino)-N-(8-methoxy-4-methyl-2-oxo-1H-qu...)
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