BDBM10320 (S)-1-Methyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]sulfonyl}isatin::1-methyl-5-{[(2S)-2-(phenoxymethyl)pyrrolidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione::CHEMBL293034::IST-2::Isatin Sulfonamide 31::Pyrrolidine Isatin Analogue 11a
SMILES CN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CCC[C@H]1COc1ccccc1
InChI Key InChIKey=PFAYCUAUBOGVDX-AWEZNQCLSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 26 hits for monomerid = 10320
Affinity DataKi: 11nMAssay Description:Enzyme activities with or without inhibitors were measured using a fluorescence assay. The formation of the cleavage product AFC was monitored for 90...More data for this Ligand-Target Pair
3D Structure (crystal)Affinity DataKi: 15nMAssay Description:Evaluated for the dissociation constant for the inhibition of caspase-3More data for this Ligand-Target Pair
Affinity DataKi: 15nMAssay 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
Affinity DataKi: 15nMAssay 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
Affinity DataKi: 47nMAssay 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
Affinity DataKi: 47nMAssay 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
Affinity DataKi: 47nMAssay Description:Evaluated for kinetic dissociation constant (kon) for the inhibition of caspase-7More data for this Ligand-Target Pair
Affinity DataKi: 56.1nMAssay Description:Binding affinity to human caspase 3More data for this Ligand-Target Pair
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of caspase 3 in neutrophilsMore data for this Ligand-Target Pair
TargetCaspase-8(Homo sapiens (Human))
University Hospital Of The WestfäLische Wilhelms-UniversitäT
Curated by ChEMBL
University Hospital Of The WestfäLische Wilhelms-UniversitäT
Curated by ChEMBL
Affinity DataIC50: >5.00E+5nMAssay Description:Inhibition of caspase 8More data for this Ligand-Target Pair
TargetCaspase-1(Homo sapiens (Human))
University Hospital Of The WestfäLische Wilhelms-UniversitäT
Curated by ChEMBL
University Hospital Of The WestfäLische Wilhelms-UniversitäT
Curated by ChEMBL
Affinity DataIC50: >5.00E+5nMAssay Description:Inhibition of caspase 1More data for this Ligand-Target Pair
TargetCaspase-1(Homo sapiens (Human))
University Hospital Of The WestfäLische Wilhelms-UniversitäT
Curated by ChEMBL
University Hospital Of The WestfäLische Wilhelms-UniversitäT
Curated by ChEMBL
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
Affinity DataIC50: 2.40nMAssay 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
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
Affinity DataIC50: 304nMAssay 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
Affinity DataEC50: 7.67E+3nMAssay 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
Affinity DataIC50: 120nMAssay Description:Inhibition of caspase3More data for this Ligand-Target Pair
Affinity DataIC50: 114nMAssay Description:Inhibition of caspase 3More data for this Ligand-Target Pair
Affinity DataIC50: 190nMAssay Description:Inhibition of caspase 7More data for this Ligand-Target Pair
Affinity DataIC50: >5.00E+5nMAssay Description:Inhibition of caspase 6More data for this Ligand-Target Pair
TargetCaspase-8(Homo sapiens (Human))
University Hospital Of The WestfäLische Wilhelms-UniversitäT
Curated by ChEMBL
University Hospital Of The WestfäLische Wilhelms-UniversitäT
Curated by ChEMBL
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
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
TargetCaspase-1(Homo sapiens (Human))
University Hospital Of The WestfäLische Wilhelms-UniversitäT
Curated by ChEMBL
University Hospital Of The WestfäLische Wilhelms-UniversitäT
Curated by ChEMBL
Affinity DataIC50: >2.00E+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
Affinity DataIC50: 310nMAssay 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
Affinity DataIC50: 30nMAssay 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
Affinity DataIC50: 119nMpH: 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
Activity Spreadsheet -- ITC Data from BindingDB
Found 3 hits for monomerid = 10320
ITC DataΔG°: -10.2kcal/mole −TΔS°: 0.641kcal/mole ΔH°: -10.8kcal/mole logk: 3.03E+7
pH: 7.2 T: 25.00°C
pH: 7.2 T: 25.00°C
ITC DataΔG°: -10.3kcal/mole −TΔS°: 0.442kcal/mole ΔH°: -10.7kcal/mole logk: 3.57E+7
pH: 7.2 T: 25.00°C
pH: 7.2 T: 25.00°C
ITC DataΔG°: -10.1kcal/mole −TΔS°: 0.741kcal/mole ΔH°: -10.8kcal/mole logk: 2.56E+7
pH: 7.2 T: 25.00°C
pH: 7.2 T: 25.00°C