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

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50216416BDBM50216416(1-(4-bromo-benzyl)-5-[2-(pyridin-3-yl-oxymethyl)-p...)
Affinity DataIC50: 3.63nMAssay Description:Inhibition of caspase3More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCaspase-3(Human)
Chugai Pharmaceutical

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50216421BDBM50216421(1-(4-hydroxy-benzyl)-5-[2-(pyridin-3-yl-oxymethyl)...)
Affinity DataIC50: 3.89nMAssay Description:Inhibition of caspase3More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCaspase-3(Human)
Chugai Pharmaceutical

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 10351BDBM10351(1-[(4-methoxyphenyl)methyl]-5-{[(2S)-2-[(pyridin-3...)
Affinity DataIC50: 3.89nMAssay Description:Inhibition of caspase3More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCaspase-3(Human)
Chugai Pharmaceutical

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 10352BDBM10352(1-{[4-(methylsulfanyl)phenyl]methyl}-5-{[(2S)-2-[(...)
Affinity DataIC50: 4.37nMAssay Description:Inhibition of caspase3More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCaspase-3(Human)
Chugai Pharmaceutical

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 10350BDBM10350(1-Benzyl-5-(2-(pyridin-3-yl-oxymethyl)-pyrrolidine...)
Affinity DataIC50: 5.25nMAssay Description:Inhibition of caspase3More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCaspase-3(Human)
Chugai Pharmaceutical

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 10347BDBM10347((S)-1-(6-Fluoropyridin-2-yl-methyl)-5-(2-phenoxyme...)
Affinity DataIC50: 5.75nMAssay Description:Inhibition of caspase3More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCaspase-3(Human)
Chugai Pharmaceutical

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 10341BDBM10341((S)-1-(4-Methoxybenzyl)-5-(2-phenoxymethyl-azetidi...)
Affinity DataIC50: 8.32nMAssay Description:Inhibition of caspase3More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCaspase-3(Human)
Chugai Pharmaceutical

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 10353BDBM10353(1-[(4-fluorophenyl)methyl]-5-{[(2S)-2-[(pyridin-3-...)
Affinity DataIC50: 8.32nMAssay Description:Inhibition of caspase3More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCaspase-3(Human)
Chugai Pharmaceutical

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 10343BDBM10343((S)-1-(4-Fluorobenzyl)-5-(2-phenoxymethyl-azetidin...)
Affinity DataIC50: 8.71nMAssay Description:Inhibition of caspase3More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCaspase-3(Human)
Chugai Pharmaceutical

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 10337BDBM10337(1-[(6-fluoropyridin-2-yl)methyl]-5-{[(2S)-2-(pheno...)
Affinity DataIC50: 9.12nMAssay Description:Inhibition of caspase3More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCaspase-3(Human)
Chugai Pharmaceutical

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 10344BDBM10344((S)-1-(2-Fluorobenzyl)-5-(2-phenoxymethyl-azetidin...)
Affinity DataIC50: 9.33nMAssay Description:Inhibition of caspase3More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCaspase-3(Human)
Chugai Pharmaceutical

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50192784BDBM50192784(1-[4-(2-fluoroethoxy)-benzyl]-5-(2-phenoxymethyl-p...)
Affinity DataIC50: 9.77nMAssay Description:Inhibition of caspase3More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCaspase-3(Human)
Chugai Pharmaceutical

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50216414BDBM50216414(1-(4-bromo-benzyl)-5-(2-Phenoxymethyl-pyrrolidine-...)
Affinity DataIC50: 9.77nMAssay Description:Inhibition of caspase3More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCaspase-3(Human)
Chugai Pharmaceutical

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 10340BDBM10340(1-benzyl-5-{[(2S)-2-(phenoxymethyl)azetidine-1-]su...)
Affinity DataIC50: 9.77nMAssay Description:Inhibition of caspase3More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCaspase-3(Human)
Chugai Pharmaceutical

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 10335BDBM10335((S)-1-(6-Fluoropyridin-3-yl-methyl)-5-(2-phenoxyme...)
Affinity DataIC50: 10.2nMAssay Description:Inhibition of caspase3More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCaspase-3(Human)
Chugai Pharmaceutical

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 10345BDBM10345((S)-1-(6-Fluoropyridin-3-ylmethyl)-5-(2-phenoxymet...)
Affinity DataIC50: 11.0nMAssay Description:Inhibition of caspase3More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCaspase-3(Human)
Chugai Pharmaceutical

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 10342BDBM10342(1-{[4-(methylsulfanyl)phenyl]methyl}-5-{[(2S)-2-(p...)
Affinity DataIC50: 11.2nMAssay Description:Inhibition of caspase3More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCaspase-3(Human)
Chugai Pharmaceutical

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 10333BDBM10333(Acetic Acid (S)-4-[2,3-Dioxo-5-(2-phenoxymethyl-py...)
Affinity DataIC50: 12.0nMAssay Description:Inhibition of caspase3More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCaspase-3(Human)
Chugai Pharmaceutical

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 10331BDBM10331((S)-1-(4-Fluorobenzyl)-5-(2-phenoxymethyl-pyrrolid...)
Affinity DataIC50: 12.0nMAssay Description:Inhibition of caspase3More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCaspase-3(Human)
Chugai Pharmaceutical

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 10332BDBM10332(1-{[4-(methylsulfanyl)phenyl]methyl}-5-{[(2S)-2-(p...)
Affinity DataIC50: 12.3nMAssay Description:Inhibition of caspase3More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCaspase-3(Human)
Chugai Pharmaceutical

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 10323BDBM10323(JMC522188 Compound 2 | IST-3 | CHEMBL439753 | 1-be...)
Affinity DataIC50: 12.3nMAssay Description:Inhibition of caspase3More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCaspase-3(Human)
Chugai Pharmaceutical

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 10334BDBM10334((S)-1-(4-Hydroxybenzyl)-5-(2-phenoxymethyl-pyrroli...)
Affinity DataIC50: 13.5nMAssay Description:Inhibition of caspase3More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCaspase-3(Human)
Chugai Pharmaceutical

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 10330BDBM10330((S)-1-(4-Methoxybenzyl)-5-(2-phenoxymethyl-pyrroli...)
Affinity DataIC50: 14.4nMAssay Description:Inhibition of caspase3More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCaspase-3(Human)
Chugai Pharmaceutical

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 10354BDBM10354(5-(2-(Pyridin-4-yl-oxymethyl)-pyrrolidine-1-sulfon...)
Affinity DataIC50: 20.4nMAssay Description:Inhibition of caspase3More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCaspase-3(Human)
Chugai Pharmaceutical

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 10336BDBM10336((S)-1-(2-Fluoro-pyridin-4-yl-methyl)-5-(2-phenoxym...)
Affinity DataIC50: 21.4nMAssay Description:Inhibition of caspase3More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCaspase-3(Human)
Chugai Pharmaceutical

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 10349BDBM10349(1-methyl-5-{[(2S)-2-[(pyridin-3-yloxy)methyl]pyrro...)
Affinity DataIC50: 23.4nMAssay Description:Inhibition of caspase3More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCaspase-3(Human)
Chugai Pharmaceutical

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 10346BDBM10346((S)-1-(2-Fluoropyridin-4-yl-methyl)-5-(2-phenoxyme...)
Affinity DataIC50: 29.5nMAssay Description:Inhibition of caspase3More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCaspase-3(Human)
Chugai Pharmaceutical

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 10348BDBM10348(5-{[(2S)-2-[(pyridin-3-yloxy)methyl]pyrrolidine-1-...)
Affinity DataIC50: 58.9nMAssay Description:Inhibition of caspase3More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCaspase-3(Human)
Chugai Pharmaceutical

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 10339BDBM10339(1-methyl-5-{[(2S)-2-(phenoxymethyl)azetidine-1-]su...)
Affinity DataIC50: 91.2nMAssay Description:Inhibition of caspase3More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCaspase-3(Human)
Chugai Pharmaceutical

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 29581BDBM29581(isatin sulfonamide, 16a)
Affinity DataIC50: 115nMAssay Description:Inhibition of caspase3More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCaspase-3(Human)
Chugai Pharmaceutical

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 10320BDBM10320((S)-1-Methyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]s...)
Affinity DataIC50: 120nMAssay Description:Inhibition of caspase3More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCaspase-3(Human)
Chugai Pharmaceutical

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 10318BDBM10318(5-{[(2S)-2-(phenoxymethyl)pyrrolidine-1-]sulfonyl}...)
Affinity DataIC50: 240nMAssay Description:Inhibition of caspase3More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCaspase-3(Human)
Chugai Pharmaceutical

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 10338BDBM10338(5-{[(2S)-2-(phenoxymethyl)azetidine-1-]sulfonyl}-2...)
Affinity DataIC50: 288nMAssay Description:Inhibition of caspase3More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCaspase-3(Human)
Chugai Pharmaceutical

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 29571BDBM29571(isatin sulfonamide, 10a)
Affinity DataIC50: 1.02E+3nMAssay Description:Inhibition of caspase3More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCaspase-3(Human)
Chugai Pharmaceutical

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 29570BDBM29570(isatin sulfonamide, 9c)
Affinity DataIC50: 1.45E+3nMAssay Description:Inhibition of caspase3More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed