BDBM66126 4-(azepan-1-yl)-7-nitro-benzofurazan::4-Azepan-1-yl-7-nitro-benzo[1,2,5]oxadiazole::7-(1-azepanyl)-4-nitro-2,1,3-benzoxadiazole::7-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazole::MLS001209776::SMR000516457::cid_2836642

SMILES [O-][N+](=O)c1ccc(N2CCCCCC2)c2nonc12

InChI Key InChIKey=QXXDTEHNGZLGFT-UHFFFAOYSA-N

Data  3 IC50  1 EC50

  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 4 hits for monomerid = 66126   

TargetBeta-lactamase(Pseudomonas aeruginosa)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM66126(4-(azepan-1-yl)-7-nitro-benzofurazan | 4-Azepan-1-...)
Affinity DataIC50:  5.79E+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 DepthDetails PCBioAssay
TargetTropomyosin alpha-1 chain(Sus scrofa)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM66126(4-(azepan-1-yl)-7-nitro-benzofurazan | 4-Azepan-1-...)
Affinity DataEC50:  413nMAssay 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 DepthDetails PCBioAssay
TargetBeta-lactamase(Pseudomonas aeruginosa)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM66126(4-(azepan-1-yl)-7-nitro-benzofurazan | 4-Azepan-1-...)
Affinity DataIC50: >5.96E+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 DepthDetails PCBioAssay
TargetBeta-lactamase(Salmonella enterica subsp. enterica serovar Choler...)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM66126(4-(azepan-1-yl)-7-nitro-benzofurazan | 4-Azepan-1-...)
Affinity DataIC50:  2.24E+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 DepthDetails PCBioAssay