BDBM22749 1-(4-nitrophenyl)-2-phenylethane-1,2-dione::Benzil-based compound, 27

SMILES [O-][N+](=O)c1ccc(cc1)C(=O)C(=O)c1ccccc1

InChI Key InChIKey=GPDKREBNFFEDHW-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 = 22749   

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

LigandPNGBDBM22749(1-(4-nitrophenyl)-2-phenylethane-1,2-dione | Benzi...)
Affinity DataKi:  21.7nMAssay 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

LigandPNGBDBM22749(1-(4-nitrophenyl)-2-phenylethane-1,2-dione | Benzi...)
Affinity DataKi:  30.6nM ΔG°:  -10.2kcal/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))
Kyoto University

Curated by ChEMBL
LigandPNGBDBM22749(1-(4-nitrophenyl)-2-phenylethane-1,2-dione | Benzi...)
Affinity DataKi:  214nMAssay Description:Inhibition of human carboxylesterase 1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLiver carboxylesterase 1(Homo sapiens (Human))
Kyoto University

Curated by ChEMBL
LigandPNGBDBM22749(1-(4-nitrophenyl)-2-phenylethane-1,2-dione | Benzi...)
Affinity DataKi:  215nMAssay 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
TargetAcetylcholinesterase(Homo sapiens (Human))
University of Mississippi

LigandPNGBDBM22749(1-(4-nitrophenyl)-2-phenylethane-1,2-dione | Benzi...)
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

LigandPNGBDBM22749(1-(4-nitrophenyl)-2-phenylethane-1,2-dione | Benzi...)
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