null

SMILES Oc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)cc1

InChI Key InChIKey=KYJSQQPQAAKFQY-IBGZPJMESA-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 12 hits for monomerid = 10334   

TargetCaspase-3(Homo sapiens (Human))
University Hospital of the Westfälische Wilhelms-Universität

Curated by ChEMBL
LigandPNGBDBM10334((S)-1-(4-Hydroxybenzyl)-5-(2-phenoxymethyl-pyrroli...)copy SMILEScopy InChI
Affinity DataKi:  4nMAssay Description:Binding affinity to human caspase 3More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2513XV1PubMed
TargetCaspase-7(Homo sapiens (Human))
Washington University School of Medicine

LigandPNGBDBM10334((S)-1-(4-Hydroxybenzyl)-5-(2-phenoxymethyl-pyrroli...)copy SMILEScopy InChI
Affinity DataIC50: 44nMAssay 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

LigandPNGBDBM10334((S)-1-(4-Hydroxybenzyl)-5-(2-phenoxymethyl-pyrroli...)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-6(Homo sapiens (Human))
Washington University School of Medicine

LigandPNGBDBM10334((S)-1-(4-Hydroxybenzyl)-5-(2-phenoxymethyl-pyrroli...)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

LigandPNGBDBM10334((S)-1-(4-Hydroxybenzyl)-5-(2-phenoxymethyl-pyrroli...)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))
University Hospital of the Westfälische Wilhelms-Universität

Curated by ChEMBL
LigandPNGBDBM10334((S)-1-(4-Hydroxybenzyl)-5-(2-phenoxymethyl-pyrroli...)copy SMILEScopy InChI
Affinity DataIC50: 13.5nMAssay Description:Inhibition of caspase3More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GF0VTJPubMed
TargetCaspase-3(Homo sapiens (Human))
University Hospital of the Westfälische Wilhelms-Universität

Curated by ChEMBL
LigandPNGBDBM10334((S)-1-(4-Hydroxybenzyl)-5-(2-phenoxymethyl-pyrroli...)copy SMILEScopy InChI
Affinity DataIC50: 13.5nMpH: 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-3(Homo sapiens (Human))
University Hospital of the Westfälische Wilhelms-Universität

Curated by ChEMBL
LigandPNGBDBM10334((S)-1-(4-Hydroxybenzyl)-5-(2-phenoxymethyl-pyrroli...)copy SMILEScopy InChI
Affinity DataIC50: 8.20nMAssay Description:Inhibition of caspase 3More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2513XV1PubMed
TargetCaspase-6(Homo sapiens (Human))
Washington University School of Medicine

LigandPNGBDBM10334((S)-1-(4-Hydroxybenzyl)-5-(2-phenoxymethyl-pyrroli...)copy SMILEScopy InChI
Affinity DataIC50: 5.00E+5nMAssay Description:Inhibition of caspase 6More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2513XV1PubMed
TargetCaspase-1(Homo sapiens (Human))
Washington University School of Medicine

LigandPNGBDBM10334((S)-1-(4-Hydroxybenzyl)-5-(2-phenoxymethyl-pyrroli...)copy SMILEScopy InChI
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of caspase 1More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2513XV1PubMed
TargetCaspase-7(Homo sapiens (Human))
Washington University School of Medicine

LigandPNGBDBM10334((S)-1-(4-Hydroxybenzyl)-5-(2-phenoxymethyl-pyrroli...)copy SMILEScopy InChI
Affinity DataIC50: 52.7nMAssay Description:Inhibition of caspase 7More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2513XV1PubMed
TargetCaspase-8(Homo sapiens (Human))
Washington University School of Medicine

LigandPNGBDBM10334((S)-1-(4-Hydroxybenzyl)-5-(2-phenoxymethyl-pyrroli...)copy SMILEScopy InChI
Affinity DataIC50: 5.00E+5nMAssay Description:Inhibition of caspase 8More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2513XV1PubMed