Compile Data Set for Download or QSAR
Found 35 Enz. Inhib. hit(s) with all data for entry = 50042113
TargetCaspase-3(Homo sapiens (Human))
Chugai Pharmaceutical Company

Curated by ChEMBL
LigandPNGBDBM50216416(1-(4-bromo-benzyl)-5-[2-(pyridin-3-yl-oxymethyl)-p...)copy SMILEScopy InChI
Affinity DataIC50: 3.63nMAssay Description:Inhibition of caspase3More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GF0VTJPubMed
TargetCaspase-3(Homo sapiens (Human))
Chugai Pharmaceutical Company

Curated by ChEMBL
LigandPNGBDBM10351(1-(4-Methoxybenzyl)-5-(2-(pyridin-3-yl-oxymethyl)-...)copy SMILEScopy InChI
Affinity DataIC50: 3.89nMAssay Description:Inhibition of caspase3More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GF0VTJPubMed
TargetCaspase-3(Homo sapiens (Human))
Chugai Pharmaceutical Company

Curated by ChEMBL
LigandPNGBDBM50216421(1-(4-hydroxy-benzyl)-5-[2-(pyridin-3-yl-oxymethyl)...)copy SMILEScopy InChI
Affinity DataIC50: 3.89nMAssay Description:Inhibition of caspase3More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GF0VTJPubMed
TargetCaspase-3(Homo sapiens (Human))
Chugai Pharmaceutical Company

Curated by ChEMBL
LigandPNGBDBM10352(1-(4-Methylthiobenzyl)-5-(2-(pyridin-3-yl-oxymethy...)copy SMILEScopy InChI
Affinity DataIC50: 4.37nMAssay Description:Inhibition of caspase3More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GF0VTJPubMed
TargetCaspase-3(Homo sapiens (Human))
Chugai Pharmaceutical Company

Curated by ChEMBL
LigandPNGBDBM10350(1-Benzyl-5-(2-(pyridin-3-yl-oxymethyl)-pyrrolidine...)copy SMILEScopy InChI
Affinity DataIC50: 5.25nMAssay Description:Inhibition of caspase3More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GF0VTJPubMed
TargetCaspase-3(Homo sapiens (Human))
Chugai Pharmaceutical Company

Curated by ChEMBL
LigandPNGBDBM10347((S)-1-(6-Fluoropyridin-2-yl-methyl)-5-(2-phenoxyme...)copy SMILEScopy InChI
Affinity DataIC50: 5.75nMAssay Description:Inhibition of caspase3More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GF0VTJPubMed
TargetCaspase-3(Homo sapiens (Human))
Chugai Pharmaceutical Company

Curated by ChEMBL
LigandPNGBDBM10341((S)-1-(4-Methoxybenzyl)-5-(2-phenoxymethyl-azetidi...)copy SMILEScopy InChI
Affinity DataIC50: 8.32nMAssay Description:Inhibition of caspase3More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GF0VTJPubMed
TargetCaspase-3(Homo sapiens (Human))
Chugai Pharmaceutical Company

Curated by ChEMBL
LigandPNGBDBM10353(1-(4-Fluorobenzyl)-5-(2-(pyridin-3-yl-oxymethyl)-p...)copy SMILEScopy InChI
Affinity DataIC50: 8.32nMAssay Description:Inhibition of caspase3More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GF0VTJPubMed
TargetCaspase-3(Homo sapiens (Human))
Chugai Pharmaceutical Company

Curated by ChEMBL
LigandPNGBDBM10343((S)-1-(4-Fluorobenzyl)-5-(2-phenoxymethyl-azetidin...)copy SMILEScopy InChI
Affinity DataIC50: 8.71nMAssay Description:Inhibition of caspase3More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GF0VTJPubMed
TargetCaspase-3(Homo sapiens (Human))
Chugai Pharmaceutical Company

Curated by ChEMBL
LigandPNGBDBM10337((S)-1-(6-Fluoro-pyridin-2-yl-methyl)-5-(2-phenoxym...)copy SMILEScopy InChI
Affinity DataIC50: 9.12nMAssay Description:Inhibition of caspase3More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GF0VTJPubMed
TargetCaspase-3(Homo sapiens (Human))
Chugai Pharmaceutical Company

Curated by ChEMBL
LigandPNGBDBM10344((S)-1-(2-Fluorobenzyl)-5-(2-phenoxymethyl-azetidin...)copy SMILEScopy InChI
Affinity DataIC50: 9.33nMAssay Description:Inhibition of caspase3More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GF0VTJPubMed
TargetCaspase-3(Homo sapiens (Human))
Chugai Pharmaceutical Company

Curated by ChEMBL
LigandPNGBDBM50216414(1-(4-bromo-benzyl)-5-(2-Phenoxymethyl-pyrrolidine-...)copy SMILEScopy InChI
Affinity DataIC50: 9.77nMAssay Description:Inhibition of caspase3More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GF0VTJPubMed
TargetCaspase-3(Homo sapiens (Human))
Chugai Pharmaceutical Company

Curated by ChEMBL
LigandPNGBDBM50192784((S)-1-(4-(2-fluoroethoxy)benzyl)-5-(2-(phenoxymeth...)copy SMILEScopy InChI
Affinity DataIC50: 9.77nMAssay Description:Inhibition of caspase3More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GF0VTJPubMed
TargetCaspase-3(Homo sapiens (Human))
Chugai Pharmaceutical Company

Curated by ChEMBL
LigandPNGBDBM10340((S)-1-Benzyl-5-(2-phenoxymethyl-azetidine-1-sulfon...)copy SMILEScopy InChI
Affinity DataIC50: 9.77nMAssay Description:Inhibition of caspase3More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GF0VTJPubMed
TargetCaspase-3(Homo sapiens (Human))
Chugai Pharmaceutical Company

Curated by ChEMBL
LigandPNGBDBM10335((S)-1-(6-Fluoropyridin-3-yl-methyl)-5-(2-phenoxyme...)copy SMILEScopy InChI
Affinity DataIC50: 10.2nMAssay Description:Inhibition of caspase3More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GF0VTJPubMed
TargetCaspase-3(Homo sapiens (Human))
Chugai Pharmaceutical Company

Curated by ChEMBL
LigandPNGBDBM10345((S)-1-(6-Fluoropyridin-3-ylmethyl)-5-(2-phenoxymet...)copy SMILEScopy InChI
Affinity DataIC50: 11.0nMAssay Description:Inhibition of caspase3More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GF0VTJPubMed
TargetCaspase-3(Homo sapiens (Human))
Chugai Pharmaceutical Company

Curated by ChEMBL
LigandPNGBDBM10342((S)-1-(4-Methylthiobenzyl)-5-(2-phenoxymethyl-azet...)copy SMILEScopy InChI
Affinity DataIC50: 11.2nMAssay Description:Inhibition of caspase3More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GF0VTJPubMed
TargetCaspase-3(Homo sapiens (Human))
Chugai Pharmaceutical Company

Curated by ChEMBL
LigandPNGBDBM10331((S)-1-(4-Fluorobenzyl)-5-(2-phenoxymethyl-pyrrolid...)copy SMILEScopy InChI
Affinity DataIC50: 12.0nMAssay Description:Inhibition of caspase3More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GF0VTJPubMed
TargetCaspase-3(Homo sapiens (Human))
Chugai Pharmaceutical Company

Curated by ChEMBL
LigandPNGBDBM10333(4-[(2,3-dioxo-5-{[(2S)-2-(phenoxymethyl)pyrrolidin...)copy SMILEScopy InChI
Affinity DataIC50: 12.0nMAssay Description:Inhibition of caspase3More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GF0VTJPubMed
TargetCaspase-3(Homo sapiens (Human))
Chugai Pharmaceutical Company

Curated by ChEMBL
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-3(Homo sapiens (Human))
Chugai Pharmaceutical Company

Curated by ChEMBL
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-3(Homo sapiens (Human))
Chugai Pharmaceutical Company

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))
Chugai Pharmaceutical Company

Curated by ChEMBL
LigandPNGBDBM10330((S)-1-(4-Methoxybenzyl)-5-(2-phenoxymethyl-pyrroli...)copy SMILEScopy InChI
Affinity DataIC50: 14.4nMAssay Description:Inhibition of caspase3More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GF0VTJPubMed
TargetCaspase-3(Homo sapiens (Human))
Chugai Pharmaceutical Company

Curated by ChEMBL
LigandPNGBDBM10354(5-(2-(Pyridin-4-yl-oxymethyl)-pyrrolidine-1-sulfon...)copy SMILEScopy InChI
Affinity DataIC50: 20.4nMAssay Description:Inhibition of caspase3More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GF0VTJPubMed
TargetCaspase-3(Homo sapiens (Human))
Chugai Pharmaceutical Company

Curated by ChEMBL
LigandPNGBDBM10336((S)-1-(2-Fluoro-pyridin-4-yl-methyl)-5-(2-phenoxym...)copy SMILEScopy InChI
Affinity DataIC50: 21.4nMAssay Description:Inhibition of caspase3More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GF0VTJPubMed
TargetCaspase-3(Homo sapiens (Human))
Chugai Pharmaceutical Company

Curated by ChEMBL
LigandPNGBDBM10349(1-Methyl-5-(2-(pyridin-3-yl-oxymethyl)-pyrrolidine...)copy SMILEScopy InChI
Affinity DataIC50: 23.4nMAssay Description:Inhibition of caspase3More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GF0VTJPubMed
TargetCaspase-3(Homo sapiens (Human))
Chugai Pharmaceutical Company

Curated by ChEMBL
LigandPNGBDBM10346((S)-1-(2-Fluoropyridin-4-yl-methyl)-5-(2-phenoxyme...)copy SMILEScopy InChI
Affinity DataIC50: 29.5nMAssay Description:Inhibition of caspase3More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GF0VTJPubMed
TargetCaspase-3(Homo sapiens (Human))
Chugai Pharmaceutical Company

Curated by ChEMBL
LigandPNGBDBM10348(5-(2-(Pyridin-3-yl-oxymethyl)-pyrrolidine-1-sulfon...)copy SMILEScopy InChI
Affinity DataIC50: 58.9nMAssay Description:Inhibition of caspase3More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GF0VTJPubMed
TargetCaspase-3(Homo sapiens (Human))
Chugai Pharmaceutical Company

Curated by ChEMBL
LigandPNGBDBM10339((S)-1-Methyl-5-(2-phenoxymethyl-azetidine-1-sulfon...)copy SMILEScopy InChI
Affinity DataIC50: 91.2nMAssay Description:Inhibition of caspase3More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GF0VTJPubMed
TargetCaspase-3(Homo sapiens (Human))
Chugai Pharmaceutical Company

Curated by ChEMBL
LigandPNGBDBM29581(isatin sulfonamide, 16a)copy SMILEScopy InChI
Affinity DataIC50: 115nMAssay Description:Inhibition of caspase3More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GF0VTJPubMed
TargetCaspase-3(Homo sapiens (Human))
Chugai Pharmaceutical Company

Curated by ChEMBL
LigandPNGBDBM10320((S)-1-Methyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]s...)copy SMILEScopy InChI
Affinity DataIC50: 120nMAssay Description:Inhibition of caspase3More data for this Ligand-Target Pair
TargetCaspase-3(Homo sapiens (Human))
Chugai Pharmaceutical Company

Curated by ChEMBL
LigandPNGBDBM10318((S)-5-{1-[2-(Phenoxymethyl)pyrrolidinyl]sulfonyl}i...)copy SMILEScopy InChI
Affinity DataIC50: 240nMAssay Description:Inhibition of caspase3More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GF0VTJPubMed
TargetCaspase-3(Homo sapiens (Human))
Chugai Pharmaceutical Company

Curated by ChEMBL
LigandPNGBDBM10338((S)-5-(2-Phenoxymethyl-azetidine-1-sulfonyl)-1H-in...)copy SMILEScopy InChI
Affinity DataIC50: 288nMAssay Description:Inhibition of caspase3More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GF0VTJPubMed
TargetCaspase-3(Homo sapiens (Human))
Chugai Pharmaceutical Company

Curated by ChEMBL
LigandPNGBDBM29571(isatin sulfonamide, 10a)copy SMILEScopy InChI
Affinity DataIC50: 1.02E+3nMAssay Description:Inhibition of caspase3More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GF0VTJPubMed
TargetCaspase-3(Homo sapiens (Human))
Chugai Pharmaceutical Company

Curated by ChEMBL
LigandPNGBDBM29570(isatin sulfonamide, 9c)copy SMILEScopy InChI
Affinity DataIC50: 1.45E+3nMAssay Description:Inhibition of caspase3More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GF0VTJPubMed