BDBM22852 1,2-Dione-Based Compound, 9::2,3-dihydro-1H-indene-1,2-dione

SMILES O=C1Cc2ccccc2C1=O

InChI Key InChIKey=WFFZGYRTVIPBFN-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 22852   

TargetCholinesterase(Homo sapiens (Human))
St. Jude Research Hospital

LigandPNGBDBM22852(1,2-Dione-Based Compound, 9 | 2,3-dihydro-1H-inden...)
Affinity DataKi:  2.63E+3nMAssay 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
TargetLiver carboxylesterase 1(Homo sapiens (Human))
St. Jude Research Hospital

LigandPNGBDBM22852(1,2-Dione-Based Compound, 9 | 2,3-dihydro-1H-inden...)
Affinity DataKi:  5.24E+3nM ΔG°:  -7.20kcal/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))
St. Jude Research Hospital

LigandPNGBDBM22852(1,2-Dione-Based Compound, 9 | 2,3-dihydro-1H-inden...)
Affinity DataKi:  5.47E+3nM ΔG°:  -7.17kcal/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
TargetAcetylcholinesterase(Homo sapiens (Human))
St. Jude Research Hospital

LigandPNGBDBM22852(1,2-Dione-Based Compound, 9 | 2,3-dihydro-1H-inden...)
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