BDBM22799 1-{[(4-ethylphenyl)amino]methyl}-2,3-dihydro-1H-indole-2,3-dione::Isatin-based compound, 19

SMILES CCc1ccc(NCN2C(=O)C(=O)c3ccccc23)cc1

InChI Key InChIKey=RSHQIUJQSSPXSC-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 = 22799   

TargetCoagulation factor XII(Human)
St. Jude Research Hospital

LigandPNGBDBM22799(1-{[(4-ethylphenyl)amino]methyl}-2,3-dihydro-1H-in...)
Affinity DataKi:  410nM ΔG°:  -8.71kcal/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(Human)
St. Jude Research Hospital

LigandPNGBDBM22799(1-{[(4-ethylphenyl)amino]methyl}-2,3-dihydro-1H-in...)
Affinity DataKi:  1.88E+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
TargetLiver carboxylesterase 1(Rabbit)
St. Jude Research Hospital

LigandPNGBDBM22799(1-{[(4-ethylphenyl)amino]methyl}-2,3-dihydro-1H-in...)
Affinity DataKi:  4.04E+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

LigandPNGBDBM22799(1-{[(4-ethylphenyl)amino]methyl}-2,3-dihydro-1H-in...)
Affinity DataKi:  1.23E+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

LigandPNGBDBM22799(1-{[(4-ethylphenyl)amino]methyl}-2,3-dihydro-1H-in...)
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