BDBM11022 2,3-dihydro-1H-indole-2,3-dione::CHEMBL326294::Isatin::Isatin (Compound 1)

SMILES O=C1Nc2ccccc2C1=O

InChI Key InChIKey=JXDYKVIHCLTXOP-UHFFFAOYSA-N

Data  21 KI  27 IC50

PDB links: 11 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 11022   

TargetAmine oxidase [flavin-containing] B(Homo sapiens (Human))
University Of Namur

Curated by ChEMBL
LigandPNGBDBM11022(2,3-dihydro-1H-indole-2,3-dione | CHEMBL326294 | I...)
Affinity DataKi:  33nMAssay Description:Inhibition of MAO-BMore data for this Ligand-Target Pair
TargetAmine oxidase [flavin-containing] B [I199F](Homo sapiens (Human))
Emory University

LigandPNGBDBM11022(2,3-dihydro-1H-indole-2,3-dione | CHEMBL326294 | I...)
Affinity DataKi:  500nMAssay Description:MAO A and MAO B activities were determined spectrophotometrically. Competitive Ki values for both enzymes were determined by measuring initial rates ...More data for this Ligand-Target Pair
TargetAmine oxidase [flavin-containing] B(Homo sapiens (Human))
University Of Namur

Curated by ChEMBL
LigandPNGBDBM11022(2,3-dihydro-1H-indole-2,3-dione | CHEMBL326294 | I...)
Affinity DataKi:  2.00E+3nMAssay Description:Competitive inhibition of recombinant human MAO-B expressed in baculovirus infected BT1 cells using benzylamine as substrate at 200 uM preincubated f...More data for this Ligand-Target Pair
TargetAmine oxidase [flavin-containing] B(Homo sapiens (Human))
University Of Namur

Curated by ChEMBL
LigandPNGBDBM11022(2,3-dihydro-1H-indole-2,3-dione | CHEMBL326294 | I...)
Affinity DataKi:  3.00E+3nM ΔG°:  -7.53kcal/molepH: 7.5 T: 2°CAssay Description:MAO A and MAO B activities were determined spectrophotometrically. Competitive Ki values for both enzymes were determined by measuring initial rates ...More data for this Ligand-Target Pair
TargetAmine oxidase [flavin-containing] B(Homo sapiens (Human))
University Of Namur

Curated by ChEMBL
LigandPNGBDBM11022(2,3-dihydro-1H-indole-2,3-dione | CHEMBL326294 | I...)
Affinity DataKi:  3.00E+3nMAssay Description:Inhibition of human MAOBMore data for this Ligand-Target Pair
TargetAmine oxidase [flavin-containing] B(Homo sapiens (Human))
University Of Namur

Curated by ChEMBL
LigandPNGBDBM11022(2,3-dihydro-1H-indole-2,3-dione | CHEMBL326294 | I...)
Affinity DataKi:  3.00E+3nMAssay Description:Inhibition of recombinant wild-type MAOB from human liver expressed in Pichia pastorisMore data for this Ligand-Target Pair
TargetAmine oxidase [flavin-containing] B(Homo sapiens (Human))
University Of Namur

Curated by ChEMBL
LigandPNGBDBM11022(2,3-dihydro-1H-indole-2,3-dione | CHEMBL326294 | I...)
Affinity DataKi:  3.00E+3nMAssay Description:Inhibition constant against human recombinant Monoamine oxidase-B More data for this Ligand-Target Pair
TargetAmine oxidase [flavin-containing] B(Homo sapiens (Human))
University Of Namur

Curated by ChEMBL
LigandPNGBDBM11022(2,3-dihydro-1H-indole-2,3-dione | CHEMBL326294 | I...)
Affinity DataKi:  4.00E+3nMAssay Description:Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI cells assessed as inhibition of H2O2 production using kynuramine as subst...More data for this Ligand-Target Pair
TargetAmine oxidase [flavin-containing] B(Homo sapiens (Human))
University Of Namur

Curated by ChEMBL
LigandPNGBDBM11022(2,3-dihydro-1H-indole-2,3-dione | CHEMBL326294 | I...)
Affinity DataKi:  5.34E+3nMAssay Description:Inhibition of human recombinant MAOB expressed in insect cells by fluorescence assayMore data for this Ligand-Target Pair
TargetAmine oxidase [flavin-containing] B(Bos taurus)
Emory University

LigandPNGBDBM11022(2,3-dihydro-1H-indole-2,3-dione | CHEMBL326294 | I...)
Affinity DataKi:  6.00E+3nM ΔG°:  -7.12kcal/molepH: 7.4 T: 2°CAssay Description:MAO A and MAO B activities were determined spectrophotometrically. Competitive Ki values for both enzymes were determined by measuring initial rates ...More data for this Ligand-Target Pair
TargetAmine oxidase [flavin-containing] A(Homo sapiens (Human))
North-West University

Curated by ChEMBL
LigandPNGBDBM11022(2,3-dihydro-1H-indole-2,3-dione | CHEMBL326294 | I...)
Affinity DataKi:  8.38E+3nMAssay Description:Inhibition of human recombinant MAOA expressed in insect cells by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAmine oxidase [flavin-containing] A(Homo sapiens (Human))
North-West University

Curated by ChEMBL
LigandPNGBDBM11022(2,3-dihydro-1H-indole-2,3-dione | CHEMBL326294 | I...)
Affinity DataKi:  1.50E+4nMAssay Description:Inhibition of human MAOAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAmine oxidase [flavin-containing] A(Homo sapiens (Human))
North-West University

Curated by ChEMBL
LigandPNGBDBM11022(2,3-dihydro-1H-indole-2,3-dione | CHEMBL326294 | I...)
Affinity DataKi:  1.50E+4nM ΔG°:  -6.58kcal/molepH: 7.5 T: 2°CAssay Description:MAO A and MAO B activities were determined spectrophotometrically. Competitive Ki values for both enzymes were determined by measuring initial rates ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAmine oxidase [flavin-containing] A(Homo sapiens (Human))
North-West University

Curated by ChEMBL
LigandPNGBDBM11022(2,3-dihydro-1H-indole-2,3-dione | CHEMBL326294 | I...)
Affinity DataKi:  1.50E+4nMAssay Description:Inhibition of recombinant wild-type MAOA from human liver expressed in Pichia pastorisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAmine oxidase [flavin-containing] A(Homo sapiens (Human))
North-West University

Curated by ChEMBL
LigandPNGBDBM11022(2,3-dihydro-1H-indole-2,3-dione | CHEMBL326294 | I...)
Affinity DataKi:  1.60E+4nMAssay Description:Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI cells assessed as inhibition of H2O2 production using kynuramine as subst...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAmine oxidase [flavin-containing] A(Homo sapiens (Human))
North-West University

Curated by ChEMBL
LigandPNGBDBM11022(2,3-dihydro-1H-indole-2,3-dione | CHEMBL326294 | I...)
Affinity DataKi:  1.60E+4nMAssay Description:Competitive inhibition of recombinant human MAO-A expressed in baculovirus infected BT1 cells using p-tyramine as substrate by Lineweaver-Burk plot a...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLiver carboxylesterase 1(Oryctolagus cuniculus (rabbit))
St. Jude Research Hospital

LigandPNGBDBM11022(2,3-dihydro-1H-indole-2,3-dione | CHEMBL326294 | I...)
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
TargetCholinesterase(Homo sapiens (Human))
St. Jude Research Hospital

LigandPNGBDBM11022(2,3-dihydro-1H-indole-2,3-dione | CHEMBL326294 | I...)
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
TargetAcetylcholinesterase(Homo sapiens (Human))
St. Jude Research Hospital

LigandPNGBDBM11022(2,3-dihydro-1H-indole-2,3-dione | CHEMBL326294 | I...)
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
TargetCoagulation factor XII(Homo sapiens (Human))
St. Jude Research Hospital

LigandPNGBDBM11022(2,3-dihydro-1H-indole-2,3-dione | CHEMBL326294 | I...)
Affinity DataKi: >1.00E+5nM ΔG°: >-5.45kcal/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
TargetLiver carboxylesterase 1(Homo sapiens (Human))
St. Jude Research Hospital

LigandPNGBDBM11022(2,3-dihydro-1H-indole-2,3-dione | CHEMBL326294 | I...)
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