null

SMILES O=C1N(Cc2ccccc2)c2ccc(cc2C1=O)S(=O)(=O)N1CCC[C@H]1COc1ccccc1

InChI Key InChIKey=PKOUAUWPBMZQCH-FQEVSTJZSA-N

PDB links: 1 PDB ID contains inhibitors having a similarity of 90% to 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 23 hits for monomerid = 10323   

TargetCaspase-3(Homo sapiens (Human))
GlaxoSmithKline

LigandPNGBDBM10323((S)-1-Benzyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]s...)copy SMILEScopy InChI
Affinity DataKi:  1.20nM IC50: 2.5nMAssay 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 Article
BindingDB Entry DOI: 10.7270/Q2ZW1J42PubMed
TargetCaspase-3(Homo sapiens (Human))
GlaxoSmithKline

LigandPNGBDBM10323((S)-1-Benzyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]s...)copy SMILEScopy InChI
Affinity DataKi:  2.5nMAssay 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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2610XM2PubMed
TargetCaspase-7(Homo sapiens (Human))
GlaxoSmithKline

LigandPNGBDBM10323((S)-1-Benzyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]s...)copy SMILEScopy InChI
Affinity DataKi:  6nMAssay 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 Article
BindingDB Entry DOI: 10.7270/Q2ZW1J42PubMed
TargetCaspase-9(Homo sapiens (Human))
GlaxoSmithKline

LigandPNGBDBM10323((S)-1-Benzyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]s...)copy SMILEScopy InChI
Affinity DataKi:  120nMAssay 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 Article
BindingDB Entry DOI: 10.7270/Q2ZW1J42PubMed
TargetCaspase-2(Homo sapiens (Human))
GlaxoSmithKline

LigandPNGBDBM10323((S)-1-Benzyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]s...)copy SMILEScopy InChI
Affinity DataKi:  4.00E+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 Article
BindingDB Entry DOI: 10.7270/Q2ZW1J42PubMed
TargetCaspase-4(Homo sapiens (Human))
GlaxoSmithKline

LigandPNGBDBM10323((S)-1-Benzyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]s...)copy SMILEScopy InChI
Affinity DataKi: >5.00E+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 Article
BindingDB Entry DOI: 10.7270/Q2ZW1J42PubMed
TargetCaspase-1(Homo sapiens (Human))
GlaxoSmithKline

LigandPNGBDBM10323((S)-1-Benzyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]s...)copy SMILEScopy InChI
Affinity DataKi: >5.00E+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 Article
BindingDB Entry DOI: 10.7270/Q2ZW1J42PubMed
TargetCaspase-8(Homo sapiens (Human))
GlaxoSmithKline

LigandPNGBDBM10323((S)-1-Benzyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]s...)copy SMILEScopy InChI
Affinity DataKi: >5.00E+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 Article
BindingDB Entry DOI: 10.7270/Q2ZW1J42PubMed
TargetCaspase-6(Homo sapiens (Human))
GlaxoSmithKline

LigandPNGBDBM10323((S)-1-Benzyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]s...)copy SMILEScopy InChI
Affinity DataKi: >5.00E+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 Article
BindingDB Entry DOI: 10.7270/Q2ZW1J42PubMed
TargetCaspase-6(Homo sapiens (Human))
GlaxoSmithKline

LigandPNGBDBM10323((S)-1-Benzyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]s...)copy SMILEScopy InChI
Affinity DataEC50: >5.00E+3nMAssay Description:Inhibition of human recombinant caspase 6 assessed as accumulation of 7-amino-4-methylcoumarin substrateMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ZK5GHKPubMed
TargetCaspase-8(Homo sapiens (Human))
GlaxoSmithKline

LigandPNGBDBM10323((S)-1-Benzyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]s...)copy SMILEScopy InChI
Affinity DataEC50: >5.00E+3nMAssay Description:Inhibition of human recombinant caspase 8 assessed as accumulation of 7-amino-4-methylcoumarin substrateMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ZK5GHKPubMed
TargetCaspase-3(Homo sapiens (Human))
GlaxoSmithKline

LigandPNGBDBM10323((S)-1-Benzyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]s...)copy SMILEScopy InChI
Affinity DataEC50:  41.8nMAssay Description:Inhibition of human recombinant caspase 3 assessed as accumulation of 7-amino-4-methylcoumarin substrateMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ZK5GHKPubMed
TargetCaspase-3(Homo sapiens (Human))
GlaxoSmithKline

LigandPNGBDBM10323((S)-1-Benzyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]s...)copy SMILEScopy InChI
Affinity DataEC50:  3.67E+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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2TB176GPubMed
TargetCaspase-1(Homo sapiens (Human))
GlaxoSmithKline

LigandPNGBDBM10323((S)-1-Benzyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]s...)copy SMILEScopy InChI
Affinity DataEC50: >5.00E+3nMAssay Description:Inhibition of human recombinant caspase 1 assessed as accumulation of 7-amino-4-methylcoumarin substrateMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ZK5GHKPubMed
TargetCaspase-7(Homo sapiens (Human))
GlaxoSmithKline

LigandPNGBDBM10323((S)-1-Benzyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]s...)copy SMILEScopy InChI
Affinity DataEC50:  29.4nMAssay Description:Inhibition of human recombinant caspase 7 assessed as accumulation of 7-amino-4-methylcoumarin substrateMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ZK5GHKPubMed
TargetCaspase-3(Homo sapiens (Human))
GlaxoSmithKline

LigandPNGBDBM10323((S)-1-Benzyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]s...)copy SMILEScopy InChI
Affinity DataIC50: 14.5nMAssay Description:The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2B856G4PubMed
TargetCaspase-6(Homo sapiens (Human))
GlaxoSmithKline

LigandPNGBDBM10323((S)-1-Benzyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]s...)copy SMILEScopy InChI
Affinity DataIC50: 5.00E+3nMAssay Description:The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2B856G4PubMed
TargetCaspase-8(Homo sapiens (Human))
GlaxoSmithKline

LigandPNGBDBM10323((S)-1-Benzyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]s...)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2V40SDNPubMed
TargetCaspase-3(Homo sapiens (Human))
GlaxoSmithKline

LigandPNGBDBM10323((S)-1-Benzyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]s...)copy SMILEScopy InChI
Affinity DataIC50: 12.3nMAssay Description:Inhibition of caspase3More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GF0VTJPubMed
TargetCaspase-1(Homo sapiens (Human))
GlaxoSmithKline

LigandPNGBDBM10323((S)-1-Benzyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]s...)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2V40SDNPubMed
TargetCaspase-7(Homo sapiens (Human))
GlaxoSmithKline

LigandPNGBDBM10323((S)-1-Benzyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]s...)copy SMILEScopy InChI
Affinity DataIC50: 28nMAssay 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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2V40SDNPubMed
TargetCaspase-3(Homo sapiens (Human))
GlaxoSmithKline

LigandPNGBDBM10323((S)-1-Benzyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]s...)copy SMILEScopy InChI
Affinity DataIC50: 12.2nMpH: 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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2V40SDNPubMed
TargetCaspase-6(Homo sapiens (Human))
GlaxoSmithKline

LigandPNGBDBM10323((S)-1-Benzyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]s...)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2V40SDNPubMed