BDBM10304 1-methyl-2,3-dihydro-1H-indole-2,3-dione::CHEMBL60569::Isatin analog 8::N‐methylindol‐2,3‐dione (Compound 2)

SMILES CN1C(=O)C(=O)c2ccccc12

InChI Key InChIKey=VCYBVWFTGAZHGH-UHFFFAOYSA-N

Data  6 KI  3 IC50

PDB links: 3 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 10304   

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

LigandPNGBDBM10304(1-methyl-2,3-dihydro-1H-indole-2,3-dione | CHEMBL6...)
Affinity DataKi:  5.38E+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 DepthDetails ArticlePubMed
TargetCoagulation factor XII(Homo sapiens (Human))
St. Jude Research Hospital

LigandPNGBDBM10304(1-methyl-2,3-dihydro-1H-indole-2,3-dione | CHEMBL6...)
Affinity DataKi:  3.82E+4nM ΔG°:  -6.02kcal/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
TargetAcetylcholinesterase(Homo sapiens (Human))
St. Jude Research Hospital

LigandPNGBDBM10304(1-methyl-2,3-dihydro-1H-indole-2,3-dione | CHEMBL6...)
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
TargetCholinesterase(Homo sapiens (Human))
St. Jude Research Hospital

LigandPNGBDBM10304(1-methyl-2,3-dihydro-1H-indole-2,3-dione | CHEMBL6...)
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
TargetLiver carboxylesterase 1(Oryctolagus cuniculus (rabbit))
St. Jude Research Hospital

LigandPNGBDBM10304(1-methyl-2,3-dihydro-1H-indole-2,3-dione | CHEMBL6...)
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 DepthDetails ArticlePubMed