BDBM75837 MLS000860928::SMR000459712::[4-(7-chloranylquinolin-4-yl)piperazin-1-yl]-cyclobutyl-methanone::[4-(7-chloro-4-quinolinyl)-1-piperazinyl]-cyclobutylmethanone::[4-(7-chloro-4-quinolyl)piperazino]-cyclobutyl-methanone::[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-cyclobutylmethanone::[4-(7-chloroquinolin-4-yl)piperazino](cyclobutyl)methanone::cid_2823686

SMILES COc1cc(NC(=O)c2cc3c(nc2N(C)CC2CC2)COC3)cc2c(C)cc(=O)[nH]c12

InChI Key InChIKey=LQMPHJLROVSMNQ-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 = 75837   

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

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 75837BDBM75837(2-[cyclopropylmethyl(methyl)amino]-N-(8-methoxy-4-...)
Affinity DataKd:  51nMAssay 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 75837BDBM75837(2-[cyclopropylmethyl(methyl)amino]-N-(8-methoxy-4-...)
Affinity DataKd:  3.10E+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 75837BDBM75837(2-[cyclopropylmethyl(methyl)amino]-N-(8-methoxy-4-...)
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