BDBM22795 1-[(4-chlorophenyl)methyl]-2,3-dihydro-1H-indole-2,3-dione::Isatin-based compound, 15

SMILES Clc1ccc(CN2C(=O)C(=O)c3ccccc23)cc1

InChI Key InChIKey=VEBLIIOSJXGVAW-UHFFFAOYSA-N

Data  7 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 7 hits for monomerid = 22795   

TargetLiver carboxylesterase 1(Homo sapiens (Human))
St. Jude Research Hospital

LigandPNGBDBM22795(1-[(4-chlorophenyl)methyl]-2,3-dihydro-1H-indole-2...)
Affinity DataKi:  25nMAssay 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

LigandPNGBDBM22795(1-[(4-chlorophenyl)methyl]-2,3-dihydro-1H-indole-2...)
Affinity DataKi:  25nMAssay Description:Inhibition of human CE1 using o-NPA as substrate by spectrophotometric assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCoagulation factor XII(Homo sapiens (Human))
St. Jude Research Hospital

LigandPNGBDBM22795(1-[(4-chlorophenyl)methyl]-2,3-dihydro-1H-indole-2...)
Affinity DataKi:  32nM 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
TargetCocaine esterase(Homo sapiens (Human))
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM22795(1-[(4-chlorophenyl)methyl]-2,3-dihydro-1H-indole-2...)
Affinity DataKi:  32nMAssay Description:Inhibition of human iCE using o-NPA as substrate by spectrophotometric assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLiver carboxylesterase 1(Oryctolagus cuniculus (rabbit))
St. Jude Research Hospital

LigandPNGBDBM22795(1-[(4-chlorophenyl)methyl]-2,3-dihydro-1H-indole-2...)
Affinity DataKi:  750nMAssay 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

LigandPNGBDBM22795(1-[(4-chlorophenyl)methyl]-2,3-dihydro-1H-indole-2...)
Affinity DataKi:  2.19E+4nMAssay 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

LigandPNGBDBM22795(1-[(4-chlorophenyl)methyl]-2,3-dihydro-1H-indole-2...)
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