null

SMILES CSc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)cc1

InChI Key InChIKey=ZJPAUGHACIPCFI-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 6 hits for monomerid = 10332   

TargetCaspase-3(Homo sapiens (Human))
Washington University School of Medicine

LigandPNGBDBM10332((S)-1-(4-Methylthiobenzyl)-5-(2-phenoxymethyl-pyrr...)copy SMILEScopy InChI
Affinity DataIC50: 12.4nMpH: 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-7(Homo sapiens (Human))
Washington University School of Medicine

LigandPNGBDBM10332((S)-1-(4-Methylthiobenzyl)-5-(2-phenoxymethyl-pyrr...)copy SMILEScopy InChI
Affinity DataIC50: 41nMAssay 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))
Washington University School of Medicine

LigandPNGBDBM10332((S)-1-(4-Methylthiobenzyl)-5-(2-phenoxymethyl-pyrr...)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-6(Homo sapiens (Human))
Washington University School of Medicine

LigandPNGBDBM10332((S)-1-(4-Methylthiobenzyl)-5-(2-phenoxymethyl-pyrr...)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
TargetCaspase-8(Homo sapiens (Human))
Washington University School of Medicine

LigandPNGBDBM10332((S)-1-(4-Methylthiobenzyl)-5-(2-phenoxymethyl-pyrr...)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-1(Homo sapiens (Human))
Washington University School of Medicine

LigandPNGBDBM10332((S)-1-(4-Methylthiobenzyl)-5-(2-phenoxymethyl-pyrr...)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