BDBM10305 (S)-5-[1-(2-Methoxymethyl)pyrrolidinylsulfonyl]isatin::5-{[(2S)-2-(methoxymethyl)pyrrolidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione::CHEMBL60190::Isatin Sulfonamide 16

SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2NC(=O)C(=O)c2c1

InChI Key InChIKey=SLQMNVJNDYLJSF-VIFPVBQESA-N

Data  13 KI  20 IC50

  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 32 hits for monomerid = 10305   

TargetCaspase-3(Human)
University Hospital of The WestfäLische Wilhelms-UniversitäT

Curated by ChEMBL
LigandPNGBDBM10305((S)-5-[1-(2-Methoxymethyl)pyrrolidinylsulfonyl]isa...)
Affinity DataKi:  41.8nMAssay Description:Binding affinity to human caspase 3More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-3(Human)
University Hospital of The WestfäLische Wilhelms-UniversitäT

Curated by ChEMBL
LigandPNGBDBM10305((S)-5-[1-(2-Methoxymethyl)pyrrolidinylsulfonyl]isa...)
Affinity DataKi:  60nMAssay Description:Inhibition of human recombinant caspase 3 using Ac-DEVD-AMC substrate assessed as accumulation of cleaved fluorogenic productMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-3(Human)
University Hospital of The WestfäLische Wilhelms-UniversitäT

Curated by ChEMBL
LigandPNGBDBM10305((S)-5-[1-(2-Methoxymethyl)pyrrolidinylsulfonyl]isa...)
Affinity DataKi:  60nM ΔG°:  -10.0kcal/mole IC50:  120nMpH: 7.5 T: 30°CAssay 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 DepthDetails ArticlePubMed
TargetCaspase-3(Human)
University Hospital of The WestfäLische Wilhelms-UniversitäT

Curated by ChEMBL
LigandPNGBDBM10305((S)-5-[1-(2-Methoxymethyl)pyrrolidinylsulfonyl]isa...)
Affinity DataKi:  60nMAssay Description:Inhibition of human recombinant caspase-3 assessed as Ac-DEVD-AMC conversion to 7-amino-4-methylcoumarin incubated for 10 mins prior to substrate add...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-7(Human)
Westf£Lische Wilhelms-Universit£T M£Nster

Curated by ChEMBL
LigandPNGBDBM10305((S)-5-[1-(2-Methoxymethyl)pyrrolidinylsulfonyl]isa...)
Affinity DataKi:  170nMAssay Description:Inhibition of human recombinant caspase-7 assessed as Ac-DEVD-AMC conversion to 7-amino-4-methylcoumarin incubated for 10 mins prior to substrate add...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-7(Human)
Westf£Lische Wilhelms-Universit£T M£Nster

Curated by ChEMBL
LigandPNGBDBM10305((S)-5-[1-(2-Methoxymethyl)pyrrolidinylsulfonyl]isa...)
Affinity DataKi:  170nMAssay Description:Inhibition of human recombinant caspase 7 using Ac-DEVD-AMC substrate assessed as accumulation of cleaved fluorogenic productMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-7(Human)
Westf£Lische Wilhelms-Universit£T M£Nster

Curated by ChEMBL
LigandPNGBDBM10305((S)-5-[1-(2-Methoxymethyl)pyrrolidinylsulfonyl]isa...)
Affinity DataKi:  170nMAssay 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 DepthDetails ArticlePubMed
TargetCaspase-9(Human)
Glaxosmithkline

LigandPNGBDBM10305((S)-5-[1-(2-Methoxymethyl)pyrrolidinylsulfonyl]isa...)
Affinity DataKi:  1.10E+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 DepthDetails ArticlePubMed
TargetCaspase-8(Human)
Glaxosmithkline

LigandPNGBDBM10305((S)-5-[1-(2-Methoxymethyl)pyrrolidinylsulfonyl]isa...)
Affinity DataKi: >2.50E+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 DepthDetails ArticlePubMed
TargetCaspase-6(Human)
Glaxosmithkline

LigandPNGBDBM10305((S)-5-[1-(2-Methoxymethyl)pyrrolidinylsulfonyl]isa...)
Affinity DataKi: >2.50E+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 DepthDetails ArticlePubMed
TargetCaspase-4(Human)
Glaxosmithkline

LigandPNGBDBM10305((S)-5-[1-(2-Methoxymethyl)pyrrolidinylsulfonyl]isa...)
Affinity DataKi: >2.50E+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 DepthDetails ArticlePubMed
TargetCaspase-2(Human)
Glaxosmithkline

LigandPNGBDBM10305((S)-5-[1-(2-Methoxymethyl)pyrrolidinylsulfonyl]isa...)
Affinity DataKi: >2.50E+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 DepthDetails ArticlePubMed
TargetCaspase-1(Human)
Glaxosmithkline

LigandPNGBDBM10305((S)-5-[1-(2-Methoxymethyl)pyrrolidinylsulfonyl]isa...)
Affinity DataKi: >2.50E+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 DepthDetails ArticlePubMed
TargetCaspase-7(Human)
Westf£Lische Wilhelms-Universit£T M£Nster

Curated by ChEMBL
LigandPNGBDBM10305((S)-5-[1-(2-Methoxymethyl)pyrrolidinylsulfonyl]isa...)
Affinity DataIC50:  1.29E+3nMAssay Description:Inhibition of human recombinant caspase 7 using Ac-DEVD-AMC substrate assessed as accumulation of cleaved fluorogenic productMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-6(Human)
Glaxosmithkline

LigandPNGBDBM10305((S)-5-[1-(2-Methoxymethyl)pyrrolidinylsulfonyl]isa...)
Affinity DataIC50:  5.00E+5nMAssay Description:Inhibition of human recombinant caspase 6 using Ac-VEID-AMC substrate assessed as accumulation of cleaved fluorogenic productMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-7(Human)
Westf£Lische Wilhelms-Universit£T M£Nster

Curated by ChEMBL
LigandPNGBDBM10305((S)-5-[1-(2-Methoxymethyl)pyrrolidinylsulfonyl]isa...)
Affinity DataIC50:  1.29E+3nMAssay Description:Inhibition of caspase 7More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-1(Human)
Glaxosmithkline

LigandPNGBDBM10305((S)-5-[1-(2-Methoxymethyl)pyrrolidinylsulfonyl]isa...)
Affinity DataIC50:  5.00E+5nMAssay Description:Inhibition of human recombinant caspase 1 using Ac-YVAD-AMC substrate assessed as accumulation of cleaved fluorogenic productMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-1(Human)
Glaxosmithkline

LigandPNGBDBM10305((S)-5-[1-(2-Methoxymethyl)pyrrolidinylsulfonyl]isa...)
Affinity DataIC50: >1.50E+4nMAssay Description:Inhibition of caspase 1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-8(Human)
Glaxosmithkline

LigandPNGBDBM10305((S)-5-[1-(2-Methoxymethyl)pyrrolidinylsulfonyl]isa...)
Affinity DataIC50: >5.00E+5nMAssay Description:Inhibition of caspase 8More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-3(Human)
University Hospital of The WestfäLische Wilhelms-UniversitäT

Curated by ChEMBL
LigandPNGBDBM10305((S)-5-[1-(2-Methoxymethyl)pyrrolidinylsulfonyl]isa...)
Affinity DataIC50:  84.9nMAssay Description:Inhibition of caspase 3More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-3(Human)
University Hospital of The WestfäLische Wilhelms-UniversitäT

Curated by ChEMBL
LigandPNGBDBM10305((S)-5-[1-(2-Methoxymethyl)pyrrolidinylsulfonyl]isa...)
Affinity DataIC50:  120nMAssay Description:Inhibition of human recombinant caspase 3More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-7(Human)
Westf£Lische Wilhelms-Universit£T M£Nster

Curated by ChEMBL
LigandPNGBDBM10305((S)-5-[1-(2-Methoxymethyl)pyrrolidinylsulfonyl]isa...)
Affinity DataIC50:  170nMAssay Description:Inhibition of human recombinant caspase 7More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-1(Human)
Glaxosmithkline

LigandPNGBDBM10305((S)-5-[1-(2-Methoxymethyl)pyrrolidinylsulfonyl]isa...)
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 DepthDetails ArticlePubMed
TargetCaspase-3(Human)
University Hospital of The WestfäLische Wilhelms-UniversitäT

Curated by ChEMBL
LigandPNGBDBM10305((S)-5-[1-(2-Methoxymethyl)pyrrolidinylsulfonyl]isa...)
Affinity DataIC50:  85nMAssay 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 DepthDetails ArticlePubMed
TargetCaspase-6(Human)
Glaxosmithkline

LigandPNGBDBM10305((S)-5-[1-(2-Methoxymethyl)pyrrolidinylsulfonyl]isa...)
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 DepthDetails ArticlePubMed
TargetCaspase-7(Human)
Westf£Lische Wilhelms-Universit£T M£Nster

Curated by ChEMBL
LigandPNGBDBM10305((S)-5-[1-(2-Methoxymethyl)pyrrolidinylsulfonyl]isa...)
Affinity DataIC50:  1.29E+3nMAssay 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 DepthDetails ArticlePubMed
TargetCaspase-3(Human)
University Hospital of The WestfäLische Wilhelms-UniversitäT

Curated by ChEMBL
LigandPNGBDBM10305((S)-5-[1-(2-Methoxymethyl)pyrrolidinylsulfonyl]isa...)
Affinity DataIC50:  120nMAssay Description:Inhibition of caspase 3 in human SK-N-SH cells assessed as accumulation of fluorogenic 7-amino-4-methyl coumarin by flurometric assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-7(Human)
Westf£Lische Wilhelms-Universit£T M£Nster

Curated by ChEMBL
LigandPNGBDBM10305((S)-5-[1-(2-Methoxymethyl)pyrrolidinylsulfonyl]isa...)
Affinity DataIC50:  1.29E+3nMAssay Description:Inhibition of human recombinant caspase-7 assessed as Ac-DEVD-AMC conversion to 7-amino-4-methylcoumarin incubated for 10 mins prior to substrate add...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-3(Human)
University Hospital of The WestfäLische Wilhelms-UniversitäT

Curated by ChEMBL
LigandPNGBDBM10305((S)-5-[1-(2-Methoxymethyl)pyrrolidinylsulfonyl]isa...)
Affinity DataIC50:  85nMAssay Description:Inhibition of human recombinant caspase-3 assessed as Ac-DEVD-AMC conversion to 7-amino-4-methylcoumarin incubated for 10 mins prior to substrate add...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-3(Human)
University Hospital of The WestfäLische Wilhelms-UniversitäT

Curated by ChEMBL
LigandPNGBDBM10305((S)-5-[1-(2-Methoxymethyl)pyrrolidinylsulfonyl]isa...)
Affinity DataIC50:  85nMAssay Description:Inhibition of human recombinant caspase 3 using Ac-DEVD-AMC substrate assessed as accumulation of cleaved fluorogenic productMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-3(Human)
University Hospital of The WestfäLische Wilhelms-UniversitäT

Curated by ChEMBL
LigandPNGBDBM10305((S)-5-[1-(2-Methoxymethyl)pyrrolidinylsulfonyl]isa...)
Affinity DataIC50:  120nMAssay Description:Inhibition of caspase 3 using Ac-DEVD-AFC fluorogenic substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-6(Human)
Glaxosmithkline

LigandPNGBDBM10305((S)-5-[1-(2-Methoxymethyl)pyrrolidinylsulfonyl]isa...)
Affinity DataIC50: >5.00E+5nMAssay Description:Inhibition of caspase 6More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed