BDBM22841 1-(morpholin-4-ylmethyl)-2,3-dihydro-1H-indole-2,3-dione::Isatin-based compound, 61

SMILES O=C1N(CN2CCOCC2)c2ccccc2C1=O

InChI Key InChIKey=ZRUIMDMDIRQCKV-UHFFFAOYSA-N

Data  7 KI  3 IC50

  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 10 hits for monomerid = 22841   

TargetCarbonic anhydrase 2(Homo sapiens (Human))
Isf College Of Pharmacy

Curated by ChEMBL
LigandPNGBDBM22841(1-(morpholin-4-ylmethyl)-2,3-dihydro-1H-indole-2,3...)
Affinity DataKi:  5nMAssay Description:Binding affinity to human CA2 assessed as inhibition constant using 4-nitrophenylacetate as substrate by spectrophotometrical analysisMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Isf College Of Pharmacy

Curated by ChEMBL
LigandPNGBDBM22841(1-(morpholin-4-ylmethyl)-2,3-dihydro-1H-indole-2,3...)
Affinity DataKi:  8.60nMAssay Description:Binding affinity to human CA1 assessed as inhibition constant using 4-nitrophenylacetate as substrate by spectrophotometrical analysisMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCoagulation factor XII(Homo sapiens (Human))
St. Jude Research Hospital

LigandPNGBDBM22841(1-(morpholin-4-ylmethyl)-2,3-dihydro-1H-indole-2,3...)
Affinity DataKi:  2.25E+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
TargetAcetylcholinesterase(Homo sapiens (Human))
St. Jude Research Hospital

LigandPNGBDBM22841(1-(morpholin-4-ylmethyl)-2,3-dihydro-1H-indole-2,3...)
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

LigandPNGBDBM22841(1-(morpholin-4-ylmethyl)-2,3-dihydro-1H-indole-2,3...)
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
TargetLiver carboxylesterase 1(Homo sapiens (Human))
St. Jude Research Hospital

LigandPNGBDBM22841(1-(morpholin-4-ylmethyl)-2,3-dihydro-1H-indole-2,3...)
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

LigandPNGBDBM22841(1-(morpholin-4-ylmethyl)-2,3-dihydro-1H-indole-2,3...)
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))
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM22841(1-(morpholin-4-ylmethyl)-2,3-dihydro-1H-indole-2,3...)
Affinity DataIC50:  2.00E+4nMAssay 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, dimeric NADP-preferring(Homo sapiens (Human))
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM22841(1-(morpholin-4-ylmethyl)-2,3-dihydro-1H-indole-2,3...)
Affinity DataIC50:  1.30E+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
LigandPNGBDBM22841(1-(morpholin-4-ylmethyl)-2,3-dihydro-1H-indole-2,3...)
Affinity DataIC50: >1.00E+5nMAssay 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
In DepthDetails ArticlePubMed