BDBM22743 1,2-bis(4-methoxyphenyl)ethane-1,2-dione::Benzil-based compound, 21::JMC505727 Compound 2

SMILES COc1ccc(cc1)C(=O)C(=O)c1ccc(OC)cc1

InChI Key InChIKey=YNANGXWUZWWFKX-UHFFFAOYSA-N

Data  10 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 10 hits for monomerid = 22743   

TargetCoagulation factor XII(Homo sapiens (Human))
University of Mississippi

LigandPNGBDBM22743(1,2-bis(4-methoxyphenyl)ethane-1,2-dione | Benzil-...)
Affinity DataKi:  70.2nM ΔG°:  -9.75kcal/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
TargetCoagulation factor XII(Homo sapiens (Human))
University of Mississippi

LigandPNGBDBM22743(1,2-bis(4-methoxyphenyl)ethane-1,2-dione | Benzil-...)
Affinity DataKi:  70.2nM ΔG°:  -9.75kcal/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(Oryctolagus cuniculus (rabbit))
University of Mississippi

LigandPNGBDBM22743(1,2-bis(4-methoxyphenyl)ethane-1,2-dione | Benzil-...)
Affinity DataKi:  580nMAssay 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
LigandPNGBDBM22743(1,2-bis(4-methoxyphenyl)ethane-1,2-dione | Benzil-...)
Affinity DataKi:  3.39E+3nMAssay 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
LigandPNGBDBM22743(1,2-bis(4-methoxyphenyl)ethane-1,2-dione | Benzil-...)
Affinity DataKi:  3.41E+3nMAssay 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
LigandPNGBDBM22743(1,2-bis(4-methoxyphenyl)ethane-1,2-dione | Benzil-...)
Affinity DataKi:  3.41E+3nM ΔG°:  -7.45kcal/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
TargetCholinesterase(Homo sapiens (Human))
St. Jude Research Hospital

LigandPNGBDBM22743(1,2-bis(4-methoxyphenyl)ethane-1,2-dione | Benzil-...)
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
TargetAcetylcholinesterase(Homo sapiens (Human))
St. Jude Research Hospital

LigandPNGBDBM22743(1,2-bis(4-methoxyphenyl)ethane-1,2-dione | Benzil-...)
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
TargetAcetylcholinesterase(Homo sapiens (Human))
St. Jude Research Hospital

LigandPNGBDBM22743(1,2-bis(4-methoxyphenyl)ethane-1,2-dione | Benzil-...)
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))
St. Jude Research Hospital

LigandPNGBDBM22743(1,2-bis(4-methoxyphenyl)ethane-1,2-dione | Benzil-...)
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