Compile Data Set for Download or QSAR
Found 30 Enz. Inhib. hit(s) with all data for entry = 50008269
TargetCaspase-3(Homo sapiens (Human))
Idun Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50072047(4-(2-Acetylamino-3-carboxy-propionylamino)-4-[1-((...)copy SMILEScopy InChI
Affinity DataIC50: 1.20nMAssay Description:Inhibitory activity against human Caspase-3 using Ac-AspGluValAsp as substrateMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2KP8198PubMed
TargetCaspase-1(Mus musculus)
Idun Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50072047(4-(2-Acetylamino-3-carboxy-propionylamino)-4-[1-((...)copy SMILEScopy InChI
Affinity DataIC50: 1.20nMAssay Description:Inhibitory activity against Caspase-1 using Ac-TyrValAlaAsp-amc as substrateMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2KP8198PubMed
TargetCaspase-3(Homo sapiens (Human))
Idun Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50072046((S)-3-Acetylamino-N-[(3R,6S,9aR)-3-((S)-2-hydroxy-...)copy SMILEScopy InChI
Affinity DataIC50: 18nMAssay Description:Inhibitory activity against human Caspase-3 using Ac-AspGluValAsp as substrateMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2KP8198PubMed
TargetCaspase-1(Mus musculus)
Idun Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50072044(CHEMBL419508 | [(4S,7S,10aS)-4-((S)-2-Hydroxy-5-ox...)copy SMILEScopy InChI
Affinity DataIC50: 36nMAssay Description:Inhibitory activity against Caspase-1 using Ac-TyrValAlaAsp-amc as substrateMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2KP8198PubMed
TargetCaspase-1(Mus musculus)
Idun Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50072042(CHEMBL328015 | {(S)-1-[(S)-1-((S)-2-Hydroxy-5-oxo-...)copy SMILEScopy InChI
Affinity DataIC50: 64nMAssay Description:Inhibitory activity against Caspase-1 using Ac-TyrValAlaAsp-amc as substrateMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2KP8198PubMed
TargetCaspase-1(Mus musculus)
Idun Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50072054(CHEMBL318016 | {(S)-1-[(S)-2-((S)-2-Hydroxy-5-oxo-...)copy SMILEScopy InChI
Affinity DataIC50: 87nMAssay Description:Inhibitory activity against Caspase-1 using Ac-TyrValAlaAsp-amc as substrateMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2KP8198PubMed
TargetCaspase-1(Mus musculus)
Idun Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50072049(CHEMBL420619 | {(S)-1-[(S)-2-((S)-2-Hydroxy-5-oxo-...)copy SMILEScopy InChI
Affinity DataIC50: 95nMAssay Description:Inhibitory activity against Caspase-1 using Ac-TyrValAlaAsp-amc as substrateMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2KP8198PubMed
TargetCaspase-1(Mus musculus)
Idun Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50072043(CHEMBL92561 | [(3R,6S,9aR)-3-((S)-2-Hydroxy-5-oxo-...)copy SMILEScopy InChI
Affinity DataIC50: 159nMAssay Description:Inhibitory activity against Caspase-1 using Ac-TyrValAlaAsp-amc as substrateMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2KP8198PubMed
TargetCaspase-1(Mus musculus)
Idun Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50072041(CHEMBL314286 | {(S)-1-[(S)-1-((S)-2-Hydroxy-5-oxo-...)copy SMILEScopy InChI
Affinity DataIC50: 186nMAssay Description:Inhibitory activity against Caspase-1 using Ac-TyrValAlaAsp-amc as substrateMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2KP8198PubMed
TargetCaspase-3(Homo sapiens (Human))
Idun Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50072040(3-Acetylamino-N-{(S)-1-[(S)-1-((S)-2-hydroxy-5-oxo...)copy SMILEScopy InChI
Affinity DataIC50: 523nMAssay Description:Inhibitory activity against human Caspase-3 using Ac-AspGluValAsp as substrateMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2KP8198PubMed
TargetCaspase-1(Mus musculus)
Idun Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50072040(3-Acetylamino-N-{(S)-1-[(S)-1-((S)-2-hydroxy-5-oxo...)copy SMILEScopy InChI
Affinity DataIC50: 523nMAssay Description:Inhibitory activity against Caspase-1 using Ac-TyrValAlaAsp-amc as substrateMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2KP8198PubMed
TargetCaspase-1(Mus musculus)
Idun Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50072045(CHEMBL92930 | {(S)-1-[((S)-2-Hydroxy-5-oxo-tetrahy...)copy SMILEScopy InChI
Affinity DataIC50: 1.68E+3nMAssay Description:Inhibitory activity against Caspase-1 using Ac-TyrValAlaAsp-amc as substrateMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2KP8198PubMed
TargetCaspase-3(Homo sapiens (Human))
Idun Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50072049(CHEMBL420619 | {(S)-1-[(S)-2-((S)-2-Hydroxy-5-oxo-...)copy SMILEScopy InChI
Affinity DataIC50: 3.49E+3nMAssay Description:Inhibitory activity against human Caspase-3 using Ac-AspGluValAsp as substrateMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2KP8198PubMed
TargetCaspase-1(Mus musculus)
Idun Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50072050(CHEMBL92407 | {(S)-1-[(S)-1-((S)-2-Hydroxy-5-oxo-t...)copy SMILEScopy InChI
Affinity DataIC50: 3.70E+3nMAssay Description:Inhibitory activity against Caspase-1 using Ac-TyrValAlaAsp-amc as substrateMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2KP8198PubMed
TargetCaspase-1(Mus musculus)
Idun Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50072048(CHEMBL92017 | [(3R,6S,8aS)-3-((S)-2-Hydroxy-5-oxo-...)copy SMILEScopy InChI
Affinity DataIC50: 4.80E+3nMAssay Description:Inhibitory activity against Caspase-1 using Ac-TyrValAlaAsp-amc as substrateMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2KP8198PubMed
TargetCaspase-3(Homo sapiens (Human))
Idun Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50072044(CHEMBL419508 | [(4S,7S,10aS)-4-((S)-2-Hydroxy-5-ox...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibitory activity against human Caspase-3 using Ac-AspGluValAsp as substrateMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2KP8198PubMed
TargetCaspase-1(Mus musculus)
Idun Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50072051(CHEMBL92338 | {(S)-1-[((S)-2-Hydroxy-5-oxo-tetrahy...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibitory activity against Caspase-1 using Ac-TyrValAlaAsp-amc as substrateMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2KP8198PubMed
TargetCaspase-3(Homo sapiens (Human))
Idun Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50072043(CHEMBL92561 | [(3R,6S,9aR)-3-((S)-2-Hydroxy-5-oxo-...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibitory activity against human Caspase-3 using Ac-AspGluValAsp as substrateMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2KP8198PubMed
TargetCaspase-3(Homo sapiens (Human))
Idun Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50072051(CHEMBL92338 | {(S)-1-[((S)-2-Hydroxy-5-oxo-tetrahy...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibitory activity against human Caspase-3 using Ac-AspGluValAsp as substrateMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2KP8198PubMed
TargetCaspase-3(Homo sapiens (Human))
Idun Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50072041(CHEMBL314286 | {(S)-1-[(S)-1-((S)-2-Hydroxy-5-oxo-...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibitory activity against human Caspase-3 using Ac-AspGluValAsp as substrateMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2KP8198PubMed
TargetCaspase-1(Mus musculus)
Idun Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50072046((S)-3-Acetylamino-N-[(3R,6S,9aR)-3-((S)-2-hydroxy-...)copy SMILEScopy InChI
Affinity DataIC50: 1.04E+4nMAssay Description:Inhibitory activity against Caspase-1 using Ac-TyrValAlaAsp-amc as substrateMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2KP8198PubMed
TargetCaspase-3(Homo sapiens (Human))
Idun Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50072054(CHEMBL318016 | {(S)-1-[(S)-2-((S)-2-Hydroxy-5-oxo-...)copy SMILEScopy InChI
Affinity DataIC50: 1.40E+4nMAssay Description:Inhibitory activity against human Caspase-3 using Ac-AspGluValAsp as substrateMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2KP8198PubMed
TargetCaspase-1(Mus musculus)
Idun Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50072053((S)-2-[2-Acetylamino-3-(4-hydroxy-phenyl)-propiony...)copy SMILEScopy InChI
Affinity DataIC50: 1.50E+4nMAssay Description:Inhibitory activity against Caspase-1 using Ac-TyrValAlaAsp-amc as substrateMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2KP8198PubMed
TargetCaspase-3(Homo sapiens (Human))
Idun Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50072053((S)-2-[2-Acetylamino-3-(4-hydroxy-phenyl)-propiony...)copy SMILEScopy InChI
Affinity DataIC50: 1.50E+4nMAssay Description:Inhibitory activity against human Caspase-3 using Ac-AspGluValAsp as substrateMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2KP8198PubMed
TargetCaspase-1(Mus musculus)
Idun Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50072052(CHEMBL96496 | {(S)-1-[((S)-2-Hydroxy-5-oxo-tetrahy...)copy SMILEScopy InChI
Affinity DataIC50: 3.70E+4nMAssay Description:Inhibitory activity against Caspase-1 using Ac-TyrValAlaAsp-amc as substrateMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2KP8198PubMed
TargetCaspase-3(Homo sapiens (Human))
Idun Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50072042(CHEMBL328015 | {(S)-1-[(S)-1-((S)-2-Hydroxy-5-oxo-...)copy SMILEScopy InChI
Affinity DataIC50: 4.70E+4nMAssay Description:Inhibitory activity against human Caspase-3 using Ac-AspGluValAsp as substrateMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2KP8198PubMed
TargetCaspase-3(Homo sapiens (Human))
Idun Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50072045(CHEMBL92930 | {(S)-1-[((S)-2-Hydroxy-5-oxo-tetrahy...)copy SMILEScopy InChI
Affinity DataIC50: 5.30E+4nMAssay Description:Inhibitory activity against human Caspase-3 using Ac-AspGluValAsp as substrateMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2KP8198PubMed
TargetCaspase-3(Homo sapiens (Human))
Idun Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50072048(CHEMBL92017 | [(3R,6S,8aS)-3-((S)-2-Hydroxy-5-oxo-...)copy SMILEScopy InChI
Affinity DataIC50: 8.60E+4nMAssay Description:Inhibitory activity against human Caspase-3 using Ac-AspGluValAsp as substrateMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2KP8198PubMed
TargetCaspase-3(Homo sapiens (Human))
Idun Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50072052(CHEMBL96496 | {(S)-1-[((S)-2-Hydroxy-5-oxo-tetrahy...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibitory activity against human Caspase-3 using Ac-AspGluValAsp as substrateMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2KP8198PubMed
TargetCaspase-3(Homo sapiens (Human))
Idun Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50072050(CHEMBL92407 | {(S)-1-[(S)-1-((S)-2-Hydroxy-5-oxo-t...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibitory activity against human Caspase-3 using Ac-AspGluValAsp as substrateMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2KP8198PubMed