BDBM22794 1-benzyl-2,3-dihydro-1H-indole-2,3-dione::Isatin-based compound, 14

SMILES O=C1N(Cc2ccccc2)c2ccccc2C1=O

InChI Key InChIKey=SIISFRLGYDVIRG-UHFFFAOYSA-N

Data  9 KI  5 IC50  1 EC50

PDB links: 1 PDB ID matches 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 15 hits for monomerid = 22794   

TargetCoagulation factor XII(Homo sapiens (Human))
St. Jude Research Hospital

LigandPNGBDBM22794(1-benzyl-2,3-dihydro-1H-indole-2,3-dione | Isatin-...)
Affinity DataKi:  870nM ΔG°:  -8.26kcal/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
TargetAldehyde dehydrogenase, dimeric NADP-preferring(Homo sapiens (Human))
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM22794(1-benzyl-2,3-dihydro-1H-indole-2,3-dione | Isatin-...)
Affinity DataKi:  1.20E+3nMAssay Description:Inhibition of human ALDH3A1 using benzaldehyde as substrate by Lineweaver-Burk plot analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLiver carboxylesterase 1(Homo sapiens (Human))
St. Jude Research Hospital

LigandPNGBDBM22794(1-benzyl-2,3-dihydro-1H-indole-2,3-dione | Isatin-...)
Affinity DataKi:  1.70E+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
TargetAldehyde dehydrogenase, dimeric NADP-preferring(Homo sapiens (Human))
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM22794(1-benzyl-2,3-dihydro-1H-indole-2,3-dione | Isatin-...)
Affinity DataKi:  4.00E+3nMAssay Description:Inhibition of human ALDH3A1 by Lineweaver-Burk plot analysis in presence of NADP+More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAldehyde dehydrogenase, mitochondrial(Homo sapiens (Human))
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM22794(1-benzyl-2,3-dihydro-1H-indole-2,3-dione | Isatin-...)
Affinity DataKi:  1.50E+4nMAssay Description:Competitive inhibition of human ALDH2 using propionaldehyde as substrate by Lineweaver-Burk plot analysisMore data for this Ligand-Target Pair
TargetLiver carboxylesterase 1(Oryctolagus cuniculus (rabbit))
St. Jude Research Hospital

LigandPNGBDBM22794(1-benzyl-2,3-dihydro-1H-indole-2,3-dione | Isatin-...)
Affinity DataKi:  1.90E+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 DepthDetails ArticlePubMed
TargetAldehyde dehydrogenase, mitochondrial(Homo sapiens (Human))
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM22794(1-benzyl-2,3-dihydro-1H-indole-2,3-dione | Isatin-...)
Affinity DataKi:  3.40E+4nMAssay Description:Noncompetitive/mixed type inhibition of human ALDH2 by Lineweaver-Burk plot analysis in presence of NAD+More data for this Ligand-Target Pair
TargetCholinesterase(Homo sapiens (Human))
St. Jude Research Hospital

LigandPNGBDBM22794(1-benzyl-2,3-dihydro-1H-indole-2,3-dione | Isatin-...)
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

LigandPNGBDBM22794(1-benzyl-2,3-dihydro-1H-indole-2,3-dione | Isatin-...)
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
TargetAldehyde dehydrogenase 1A1(Homo sapiens (Human))
National Center For Advancing Translational Sciences

Curated by ChEMBL
LigandPNGBDBM22794(1-benzyl-2,3-dihydro-1H-indole-2,3-dione | Isatin-...)
Affinity DataIC50:  10nMAssay Description:Inhibition of human ALDH1A1 using NAD+/propionaldehyde as substrate/cofactor preincubated for 15 mins followed by substrate/cofactor addition measure...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAldehyde dehydrogenase, dimeric NADP-preferring(Homo sapiens (Human))
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM22794(1-benzyl-2,3-dihydro-1H-indole-2,3-dione | Isatin-...)
Affinity DataIC50:  7.70E+3nMAssay Description:Inhibition of full length human ALDH3A1 expressed in Escherichia coli BL21 (DE3) using benzaldehyde as substrate preincubated for 2 mins followed by ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAldehyde dehydrogenase, mitochondrial(Homo sapiens (Human))
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM22794(1-benzyl-2,3-dihydro-1H-indole-2,3-dione | Isatin-...)
Affinity DataIC50:  8.20E+4nMAssay Description:Inhibition of human ALDH2 using propionaldehyde as substrate preincubated for 2 mins followed by substrate addition by spectrophotometry in presence ...More data for this Ligand-Target Pair
TargetAldehyde dehydrogenase 1A1(Homo sapiens (Human))
National Center For Advancing Translational Sciences

Curated by ChEMBL
LigandPNGBDBM22794(1-benzyl-2,3-dihydro-1H-indole-2,3-dione | Isatin-...)
Affinity DataIC50:  20nMAssay Description:Inhibition of human ALDH1A1 using propionaldehyde as substrate preincubated for 2 mins followed by substrate addition by spectrophotometry in presenc...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAldehyde dehydrogenase 1A1(Homo sapiens (Human))
National Center For Advancing Translational Sciences

Curated by ChEMBL
LigandPNGBDBM22794(1-benzyl-2,3-dihydro-1H-indole-2,3-dione | Isatin-...)
Affinity DataIC50:  4.87E+3nMAssay Description:Inhibition of ALDH1A1 in human MIAPaCa2 cells after 30 mins by aldefluor assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMuscarinic acetylcholine receptor M1(Homo sapiens (Human))
Vanderbilt University Medical Center

Curated by ChEMBL
LigandPNGBDBM22794(1-benzyl-2,3-dihydro-1H-indole-2,3-dione | Isatin-...)
Affinity DataEC50:  10nMAssay Description:Positive allosteric modulator activity at human muscarinic receptor subtype 1 expressed in CHO-K1 cells by calcium mobilization assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed