BDBM22801 1-{[(3,4,5-trimethoxyphenyl)amino]methyl}-2,3-dihydro-1H-indole-2,3-dione::Isatin-based compound, 21

SMILES COc1cc(NCN2C(=O)C(=O)c3ccccc23)cc(OC)c1OC

InChI Key InChIKey=PMOXSSDYTPGESZ-UHFFFAOYSA-N

Data  5 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 5 hits for monomerid = 22801   

TargetCoagulation factor XII(Homo sapiens (Human))
St. Jude Research Hospital

LigandPNGBDBM22801(1-{[(3,4,5-trimethoxyphenyl)amino]methyl}-2,3-dihy...)
Affinity DataKi:  2.69E+3nM ΔG°:  -7.59kcal/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))
St. Jude Research Hospital

LigandPNGBDBM22801(1-{[(3,4,5-trimethoxyphenyl)amino]methyl}-2,3-dihy...)
Affinity DataKi:  1.95E+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
TargetAcetylcholinesterase(Homo sapiens (Human))
St. Jude Research Hospital

LigandPNGBDBM22801(1-{[(3,4,5-trimethoxyphenyl)amino]methyl}-2,3-dihy...)
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

LigandPNGBDBM22801(1-{[(3,4,5-trimethoxyphenyl)amino]methyl}-2,3-dihy...)
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
TargetLiver carboxylesterase 1(Oryctolagus cuniculus (rabbit))
St. Jude Research Hospital

LigandPNGBDBM22801(1-{[(3,4,5-trimethoxyphenyl)amino]methyl}-2,3-dihy...)
Affinity DataKi: >1.00E+5nMAssay 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