BDBM10318 (S)-5-{1-[2-(Phenoxymethyl)pyrrolidinyl]sulfonyl}isatin::5-{[(2S)-2-(phenoxymethyl)pyrrolidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione::CHEMBL62993::Isatin Sulfonamide 29::Pyrrolidine Isatin Analogue 10

SMILES O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N1CCC[C@H]1COc1ccccc1

InChI Key InChIKey=QKVWMYQCBWNCQH-UHFFFAOYSA-N

Data  9 KI  18 IC50  1 EC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 27 hits for monomerid = 10318   

TargetCaspase-6(Human)
University Hospital of The WestfäLische Wilhelms-UniversitäT

Curated by ChEMBL
LigandPNGBDBM10318(5-{[(2S)-2-(phenoxymethyl)pyrrolidine-1-]sulfonyl}...)
Affinity DataIC50: 5.00E+5nMAssay Description:Inhibition of caspase 6More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCaspase-3(Human)
University of Oslo

Curated by ChEMBL
LigandPNGBDBM10318(5-{[(2S)-2-(phenoxymethyl)pyrrolidine-1-]sulfonyl}...)
Affinity DataIC50: 44nMAssay Description:Inhibition of caspase 3 using Ac-DEVD-AFC fluorogenic substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/5/2013
Entry Details Article
PubMed
TargetCaspase-3(Human)
University of Oslo

Curated by ChEMBL
LigandPNGBDBM10318(5-{[(2S)-2-(phenoxymethyl)pyrrolidine-1-]sulfonyl}...)
Affinity DataIC50: 240nMAssay Description:Inhibition of caspase3More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCaspase-3(Human)
University of Oslo

Curated by ChEMBL
LigandPNGBDBM10318(5-{[(2S)-2-(phenoxymethyl)pyrrolidine-1-]sulfonyl}...)
Affinity DataEC50:  1.15E+4nMAssay Description:Inhibition of staurosporine induced activation of caspase 3 activation in human Hela cells assessed as hydrolysis of Z-DEVD-R110 substrate by micropl...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/2/2011
Entry Details Article
PubMed
TargetCaspase-3(Human)
University of Oslo

Curated by ChEMBL
LigandPNGBDBM10318(5-{[(2S)-2-(phenoxymethyl)pyrrolidine-1-]sulfonyl}...)
Affinity DataIC50: 44nMAssay Description:Inhibition of caspase 3 in human SK-N-SH cells assessed as accumulation of fluorogenic 7-amino-4-methyl coumarin by fluorometric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/27/2010
Entry Details Article
PubMed
TargetCaspase-7(Human)
Westfalische Wilhelms-Universitat

Curated by ChEMBL
LigandPNGBDBM10318(5-{[(2S)-2-(phenoxymethyl)pyrrolidine-1-]sulfonyl}...)
Affinity DataIC50: 294nMAssay Description:Inhibition of human recombinant caspase 7 assessed as accumulation of cleaved fluorogenic 7-amino-4-methylcoumarin after 10 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetCaspase-6(Human)
University Hospital of The WestfäLische Wilhelms-UniversitäT

Curated by ChEMBL
LigandPNGBDBM10318(5-{[(2S)-2-(phenoxymethyl)pyrrolidine-1-]sulfonyl}...)
Affinity DataIC50: 5.00E+5nMAssay Description:Inhibition of human recombinant caspase 6 assessed as accumulation of cleaved fluorogenic 7-amino-4-methylcoumarin after 10 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetCaspase-3(Human)
University of Oslo

Curated by ChEMBL
LigandPNGBDBM10318(5-{[(2S)-2-(phenoxymethyl)pyrrolidine-1-]sulfonyl}...)
Affinity DataIC50: 17nMAssay Description:Inhibition of human recombinant caspase 3 assessed as accumulation of cleaved fluorogenic 7-amino-4-methylcoumarin after 10 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetCaspase-1(Human)
Westfalische Wilhelms-Universitat

Curated by ChEMBL
LigandPNGBDBM10318(5-{[(2S)-2-(phenoxymethyl)pyrrolidine-1-]sulfonyl}...)
Affinity DataIC50: 5.00E+5nMAssay Description:Inhibition of human recombinant caspase 1 assessed as accumulation of cleaved fluorogenic 7-amino-4-methylcoumarin after 10 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetCaspase-1(Human)
Westfalische Wilhelms-Universitat

Curated by ChEMBL
LigandPNGBDBM10318(5-{[(2S)-2-(phenoxymethyl)pyrrolidine-1-]sulfonyl}...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of caspase 1More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCaspase-3(Human)
University of Oslo

Curated by ChEMBL
LigandPNGBDBM10318(5-{[(2S)-2-(phenoxymethyl)pyrrolidine-1-]sulfonyl}...)
Affinity DataIC50: 16.9nMAssay Description:Inhibition of caspase 3More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCaspase-8(Human)
University Hospital of The WestfäLische Wilhelms-UniversitäT

Curated by ChEMBL
LigandPNGBDBM10318(5-{[(2S)-2-(phenoxymethyl)pyrrolidine-1-]sulfonyl}...)
Affinity DataIC50: 5.00E+5nMAssay Description:Inhibition of caspase 8More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCaspase-7(Human)
Westfalische Wilhelms-Universitat

Curated by ChEMBL
LigandPNGBDBM10318(5-{[(2S)-2-(phenoxymethyl)pyrrolidine-1-]sulfonyl}...)
Affinity DataIC50: 294nMAssay Description:Inhibition of caspase 7More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCaspase-8(Human)
University Hospital of The WestfäLische Wilhelms-UniversitäT

Curated by ChEMBL
LigandPNGBDBM10318(5-{[(2S)-2-(phenoxymethyl)pyrrolidine-1-]sulfonyl}...)
Affinity DataIC50: 5.00E+4nMAssay Description:The substrate peptides terminating in AMC are processed by caspases with or without inhibitors. The amount of AMC released was determined by using a ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/25/2006
Entry Details Article
PubMed
TargetCaspase-6(Human)
University Hospital of The WestfäLische Wilhelms-UniversitäT

Curated by ChEMBL
LigandPNGBDBM10318(5-{[(2S)-2-(phenoxymethyl)pyrrolidine-1-]sulfonyl}...)
Affinity DataIC50: 5.00E+3nMAssay Description:The substrate peptides terminating in AMC are processed by caspases with or without inhibitors. The amount of AMC released was determined by using a ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/25/2006
Entry Details Article
PubMed
TargetCaspase-1(Human)
Westfalische Wilhelms-Universitat

Curated by ChEMBL
LigandPNGBDBM10318(5-{[(2S)-2-(phenoxymethyl)pyrrolidine-1-]sulfonyl}...)
Affinity DataIC50: 1.00E+4nMAssay Description:The substrate peptides terminating in AMC are processed by caspases with or without inhibitors. The amount of AMC released was determined by using a ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/25/2006
Entry Details Article
PubMed
TargetCaspase-7(Human)
Westfalische Wilhelms-Universitat

Curated by ChEMBL
LigandPNGBDBM10318(5-{[(2S)-2-(phenoxymethyl)pyrrolidine-1-]sulfonyl}...)
Affinity DataIC50: 540nMAssay Description:The substrate peptides terminating in AMC are processed by caspases with or without inhibitors. The amount of AMC released was determined by using a ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/25/2006
Entry Details Article
PubMed
TargetCaspase-3(Human)
University of Oslo

Curated by ChEMBL
LigandPNGBDBM10318(5-{[(2S)-2-(phenoxymethyl)pyrrolidine-1-]sulfonyl}...)
Affinity DataIC50: 240nMpH: 7.4 T: 2°CAssay Description:The substrate peptides terminating in AMC are processed by caspases with or without inhibitors. The amount of AMC released was determined by using a ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/25/2006
Entry Details Article
PubMed
TargetCaspase-3(Human)
University of Oslo

Curated by ChEMBL
LigandPNGBDBM10318(5-{[(2S)-2-(phenoxymethyl)pyrrolidine-1-]sulfonyl}...)
Affinity DataKi:  8.30nMAssay Description:Binding affinity to human caspase 3More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCaspase-3(Human)
University of Oslo

Curated by ChEMBL
LigandPNGBDBM10318(5-{[(2S)-2-(phenoxymethyl)pyrrolidine-1-]sulfonyl}...)
Affinity DataKi:  15nM IC50: 44nMAssay Description:The substrate peptides terminating in AMC/AFC are processed by caspases with or without inhibitors, and the accumulation of AMC/AFC was assessed with...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/4/2006
Entry Details Article
PubMed
TargetCaspase-7(Human)
Westfalische Wilhelms-Universitat

Curated by ChEMBL
LigandPNGBDBM10318(5-{[(2S)-2-(phenoxymethyl)pyrrolidine-1-]sulfonyl}...)
Affinity DataKi:  47nMAssay Description:The substrate peptides terminating in AMC/AFC are processed by caspases with or without inhibitors, and the accumulation of AMC/AFC was assessed with...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/4/2006
Entry Details Article
PubMed
TargetCaspase-9(Human)
Glaxosmithkline

LigandPNGBDBM10318(5-{[(2S)-2-(phenoxymethyl)pyrrolidine-1-]sulfonyl}...)
Affinity DataKi:  1.20E+3nMAssay Description:The substrate peptides terminating in AMC/AFC are processed by caspases with or without inhibitors, and the accumulation of AMC/AFC was assessed with...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/4/2006
Entry Details Article
PubMed
TargetCaspase-2(Human)
Glaxosmithkline

LigandPNGBDBM10318(5-{[(2S)-2-(phenoxymethyl)pyrrolidine-1-]sulfonyl}...)
Affinity DataKi:  4.90E+3nMAssay Description:The substrate peptides terminating in AMC/AFC are processed by caspases with or without inhibitors, and the accumulation of AMC/AFC was assessed with...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/4/2006
Entry Details Article
PubMed
TargetCaspase-1(Human)
Westfalische Wilhelms-Universitat

Curated by ChEMBL
LigandPNGBDBM10318(5-{[(2S)-2-(phenoxymethyl)pyrrolidine-1-]sulfonyl}...)
Affinity DataKi:  1.70E+4nMAssay Description:The substrate peptides terminating in AMC/AFC are processed by caspases with or without inhibitors, and the accumulation of AMC/AFC was assessed with...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/4/2006
Entry Details Article
PubMed
TargetCaspase-6(Human)
University Hospital of The WestfäLische Wilhelms-UniversitäT

Curated by ChEMBL
LigandPNGBDBM10318(5-{[(2S)-2-(phenoxymethyl)pyrrolidine-1-]sulfonyl}...)
Affinity DataKi:  2.90E+4nMAssay Description:The substrate peptides terminating in AMC/AFC are processed by caspases with or without inhibitors, and the accumulation of AMC/AFC was assessed with...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/4/2006
Entry Details Article
PubMed
TargetCaspase-4(Human)
Glaxosmithkline

LigandPNGBDBM10318(5-{[(2S)-2-(phenoxymethyl)pyrrolidine-1-]sulfonyl}...)
Affinity DataKi:  3.30E+4nMAssay Description:The substrate peptides terminating in AMC/AFC are processed by caspases with or without inhibitors, and the accumulation of AMC/AFC was assessed with...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/4/2006
Entry Details Article
PubMed
TargetCaspase-8(Human)
University Hospital of The WestfäLische Wilhelms-UniversitäT

Curated by ChEMBL
LigandPNGBDBM10318(5-{[(2S)-2-(phenoxymethyl)pyrrolidine-1-]sulfonyl}...)
Affinity DataKi:  4.90E+4nMAssay Description:The substrate peptides terminating in AMC/AFC are processed by caspases with or without inhibitors, and the accumulation of AMC/AFC was assessed with...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/4/2006
Entry Details Article
PubMed