BDBM51269 2-Butyl-6-butylamino-benzo[de]isoquinoline-1,3-dione::2-butyl-6-(butylamino)benzo[de]isoquinoline-1,3-dione::2-butyl-6-(butylamino)benzo[de]isoquinoline-1,3-quinone::MLS000780025::SMR000420208::cid_87935

SMILES CCCCNc1ccc2c3c1cccc3C(=O)N(C2=O)CCCC

InChI Key InChIKey=DXWHZJXKTHGHQF-UHFFFAOYSA-N

Data  6 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 51269   

TargetGlycoprotein 42(HHV-4)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM51269(SMR000420208 | 2-Butyl-6-butylamino-benzo[de]isoqu...)
Affinity DataIC50: 5.34E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Theodore Jardetzky; Northw...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/30/2011
Entry Details
PCBioAssay
TargetBeta-lactamase(Pseudomonas aeruginosa)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM51269(SMR000420208 | 2-Butyl-6-butylamino-benzo[de]isoqu...)
Affinity DataIC50: 2.59E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/11/2011
Entry Details
PCBioAssay
TargetBeta-lactamase(Salmonella enterica subsp. enterica serovar Choler...)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM51269(SMR000420208 | 2-Butyl-6-butylamino-benzo[de]isoqu...)
Affinity DataIC50: 3.89E+3nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/11/2011
Entry Details
PCBioAssay
TargetBeta-lactamase(Pseudomonas aeruginosa)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM51269(SMR000420208 | 2-Butyl-6-butylamino-benzo[de]isoqu...)
Affinity DataIC50: 3.72E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/11/2011
Entry Details
PCBioAssay
TargetToll-like receptor 9(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM51269(SMR000420208 | 2-Butyl-6-butylamino-benzo[de]isoqu...)
Affinity DataIC50: 3.59E+3nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/4/2012
Entry Details
PCBioAssay
TargetBeta-lactamase(Pseudomonas aeruginosa)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM51269(SMR000420208 | 2-Butyl-6-butylamino-benzo[de]isoqu...)
Affinity DataIC50: 3.07E+3nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/4/2012
Entry Details
PCBioAssay