BDBM22738 1-(4-chlorophenyl)-2-(4-methylphenyl)ethane-1,2-dione::Benzil-based compound, 16

SMILES Cc1ccc(cc1)C(=O)C(=O)c1ccc(Cl)cc1

InChI Key InChIKey=FKOYORNUXJRIQT-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 = 22738   

TargetLiver carboxylesterase 1(Rabbit)
University of Mississippi

LigandPNGBDBM22738(1-(4-chlorophenyl)-2-(4-methylphenyl)ethane-1,2-di...)
Affinity DataKi:  16.2nMAssay 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(Human)
University of Mississippi

LigandPNGBDBM22738(1-(4-chlorophenyl)-2-(4-methylphenyl)ethane-1,2-di...)
Affinity DataKi:  22.8nM ΔG°:  -10.4kcal/molepH: 7.4 T: 25°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(Human)
Kyoto University

Curated by ChEMBL
LigandPNGBDBM22738(1-(4-chlorophenyl)-2-(4-methylphenyl)ethane-1,2-di...)
Affinity DataKi:  158nMAssay Description:Inhibition of human carboxylesterase 1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLiver carboxylesterase 1(Human)
Kyoto University

Curated by ChEMBL
LigandPNGBDBM22738(1-(4-chlorophenyl)-2-(4-methylphenyl)ethane-1,2-di...)
Affinity DataKi:  160nMAssay 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(Human)
University of Mississippi

LigandPNGBDBM22738(1-(4-chlorophenyl)-2-(4-methylphenyl)ethane-1,2-di...)
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(Human)
University of Mississippi

LigandPNGBDBM22738(1-(4-chlorophenyl)-2-(4-methylphenyl)ethane-1,2-di...)
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