BDBM22796 1-[(3,4-dichlorophenyl)methyl]-2,3-dihydro-1H-indole-2,3-dione::Isatin-based compound, 16::cid_1901244

SMILES Clc1ccc(CN2C(=O)C(=O)c3ccccc23)cc1Cl

InChI Key InChIKey=KGRJPLRFGLMQMV-UHFFFAOYSA-N

Data  5 KI  2 IC50

  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 = 22796   

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

LigandPNGBDBM22796(1-[(3,4-dichlorophenyl)methyl]-2,3-dihydro-1H-indo...)
Affinity DataKi:  31nMAssay 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))
St. Jude Research Hospital

LigandPNGBDBM22796(1-[(3,4-dichlorophenyl)methyl]-2,3-dihydro-1H-indo...)
Affinity DataKi:  65nMAssay 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

LigandPNGBDBM22796(1-[(3,4-dichlorophenyl)methyl]-2,3-dihydro-1H-indo...)
Affinity DataKi:  67nM ΔG°:  -9.78kcal/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

LigandPNGBDBM22796(1-[(3,4-dichlorophenyl)methyl]-2,3-dihydro-1H-indo...)
Affinity DataKi:  1.26E+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

LigandPNGBDBM22796(1-[(3,4-dichlorophenyl)methyl]-2,3-dihydro-1H-indo...)
Affinity DataKi:  4.82E+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
TargetApoptotic protease-activating factor 1(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM22796(1-[(3,4-dichlorophenyl)methyl]-2,3-dihydro-1H-indo...)
Affinity DataIC50:  3.40E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetCaspase-9(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM22796(1-[(3,4-dichlorophenyl)methyl]-2,3-dihydro-1H-indo...)
Affinity DataIC50:  2.27E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay