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   

TargetApoptotic protease-activating factor 1(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM22796(cid_1901244 | 1-[(3,4-dichlorophenyl)methyl]-2,3-d...)
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 Depth
Date in BDB:
6/19/2012
Entry Details
PCBioAssay
TargetCaspase-9(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM22796(cid_1901244 | 1-[(3,4-dichlorophenyl)methyl]-2,3-d...)
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 Depth
Date in BDB:
6/19/2012
Entry Details
PCBioAssay
TargetLiver carboxylesterase 1(Human)
St. Jude Research Hospital

LigandPNGBDBM22796(cid_1901244 | 1-[(3,4-dichlorophenyl)methyl]-2,3-d...)
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 Depth
Date in BDB:
6/15/2008
Entry Details Article
PubMed
TargetLiver carboxylesterase 1(Rabbit)
St. Jude Research Hospital

LigandPNGBDBM22796(cid_1901244 | 1-[(3,4-dichlorophenyl)methyl]-2,3-d...)
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 Depth
Date in BDB:
6/15/2008
Entry Details Article
PubMed
TargetCoagulation factor XII(Human)
St. Jude Research Hospital

LigandPNGBDBM22796(cid_1901244 | 1-[(3,4-dichlorophenyl)methyl]-2,3-d...)
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 Depth
Date in BDB:
6/15/2008
Entry Details Article
PubMed
TargetCholinesterase(Human)
St. Jude Research Hospital

LigandPNGBDBM22796(cid_1901244 | 1-[(3,4-dichlorophenyl)methyl]-2,3-d...)
Affinity DataKi:  1.26E+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 Depth
Date in BDB:
6/15/2008
Entry Details Article
PubMed
TargetAcetylcholinesterase(Human)
St. Jude Research Hospital

LigandPNGBDBM22796(cid_1901244 | 1-[(3,4-dichlorophenyl)methyl]-2,3-d...)
Affinity DataKi:  4.82E+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 Depth
Date in BDB:
6/15/2008
Entry Details Article
PubMed