BDBM22751 1,2-bis(3-nitrophenyl)ethane-1,2-dione::Benzil-based compound, 29

SMILES [O-][N+](=O)c1cccc(c1)C(=O)C(=O)c1cccc(c1)[N+]([O-])=O

InChI Key InChIKey=SGKVXDKTNJHBCA-UHFFFAOYSA-N

Data  6 KI

  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 6 hits for monomerid = 22751   

TargetLiver carboxylesterase 1(Oryctolagus cuniculus (rabbit))
University of Mississippi

LigandPNGBDBM22751(1,2-bis(3-nitrophenyl)ethane-1,2-dione | Benzil-ba...)
Affinity DataKi:  267nMAssay Description:CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCoagulation factor XII(Homo sapiens (Human))
University of Mississippi

LigandPNGBDBM22751(1,2-bis(3-nitrophenyl)ethane-1,2-dione | Benzil-ba...)
Affinity DataKi:  397nM ΔG°:  -8.73kcal/molepH: 7.4 T: 2°CAssay Description:CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLiver carboxylesterase 1(Homo sapiens (Human))
University of Mississippi

LigandPNGBDBM22751(1,2-bis(3-nitrophenyl)ethane-1,2-dione | Benzil-ba...)
Affinity DataKi:  1.81E+4nMAssay Description:CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLiver carboxylesterase 1(Homo sapiens (Human))
University of Mississippi

LigandPNGBDBM22751(1,2-bis(3-nitrophenyl)ethane-1,2-dione | Benzil-ba...)
Affinity DataKi:  1.82E+4nMAssay Description:Inhibition of human carboxylesterase 1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Homo sapiens (Human))
University of Mississippi

LigandPNGBDBM22751(1,2-bis(3-nitrophenyl)ethane-1,2-dione | Benzil-ba...)
Affinity DataKi: >1.00E+5nMAssay Description:The cholinesterase assays were performed using colorimetric method reported by Ellman. Estimates of the competitive inhibition constants (Ki) were ob...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCholinesterase(Homo sapiens (Human))
University of Mississippi

LigandPNGBDBM22751(1,2-bis(3-nitrophenyl)ethane-1,2-dione | Benzil-ba...)
Affinity DataKi: >1.00E+5nMAssay Description:The cholinesterase assays were performed using colorimetric method reported by Ellman. Estimates of the competitive inhibition constants (Ki) were ob...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed