BDBM22798 1-{[(2,4,5-trimethylphenyl)amino]methyl}-2,3-dihydro-1H-indole-2,3-dione::Isatin-based compound, 18

SMILES Cc1cc(C)c(NCN2C(=O)C(=O)c3ccccc23)cc1C

InChI Key InChIKey=NKKWAKKVEVLEPX-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 = 22798   

TargetLiver carboxylesterase 1(Human)
St. Jude Research Hospital

LigandChemical structure of BindingDB Monomer ID 22798BDBM22798(1-{[(2,4,5-trimethylphenyl)amino]methyl}-2,3-dihyd...)
Affinity DataKi:  1.62E+3nMAssay 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

LigandChemical structure of BindingDB Monomer ID 22798BDBM22798(1-{[(2,4,5-trimethylphenyl)amino]methyl}-2,3-dihyd...)
Affinity DataKi:  2.39E+3nMAssay 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

LigandChemical structure of BindingDB Monomer ID 22798BDBM22798(1-{[(2,4,5-trimethylphenyl)amino]methyl}-2,3-dihyd...)
Affinity DataKi:  2.88E+3nM ΔG°:  -7.55kcal/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
TargetLiver carboxylesterase 1(Rabbit)
St. Jude Research Hospital

LigandChemical structure of BindingDB Monomer ID 22798BDBM22798(1-{[(2,4,5-trimethylphenyl)amino]methyl}-2,3-dihyd...)
Affinity DataKi:  8.29E+3nMAssay 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

LigandChemical structure of BindingDB Monomer ID 22798BDBM22798(1-{[(2,4,5-trimethylphenyl)amino]methyl}-2,3-dihyd...)
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 Depth
Date in BDB:
6/15/2008
Entry Details Article
PubMed