Compile Data Set for Download or QSAR
Report error Found 154 of ki data for polymerid = 1072,50004229
TargetCaspase-3(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50160957([3-(2-{5-tert-Butyl-3-[(4-methyl-furazan-3-ylmethy...)
Affinity DataKi:  0.00140nMAssay Description:Inhibitory concentration against recombinant human caspase-3 in neuronal precursor (NT2) cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCaspase-3(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50160974([3-(2-{5-tert-Butyl-3-[(4-methyl-furazan-3-ylmethy...)
Affinity DataKi:  0.00500nMAssay Description:Inhibitory concentration against recombinant human caspase-3 in neuronal precursor (NT2) cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCaspase-3(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50546262(CHEMBL4751195)
Affinity DataKi:  0.0800nMAssay Description:Inhibition of caspase-3 (unknown origin) using Ac-DEVD-AMCA as substrate incubated for 5 mins by Dixon plot analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/21/2022
Entry Details Article
PubMed
TargetCaspase-3(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50192784(1-[4-(2-fluoroethoxy)-benzyl]-5-(2-phenoxymethyl-p...)
Affinity DataKi:  0.200nMAssay Description:Binding affinity to human caspase 3More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCaspase-3(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM10246((4S)-4-{[(1S)-1-{[(2S)-1-carboxy-3-oxopropan-2-yl]...)
Affinity DataKi:  0.230nM ΔG°:  -55.0kJ/molepH: 7.5 T: 2°CAssay Description:The effectiveness of compounds against the activity of human recombinant caspase-1-8 was measured using fluorometric assays. Assays were carried out ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2003
Entry Details Article
PubMed
TargetCaspase-3(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50200312((S)-1-(4-(2-(4-methylphenylsulfonyloxy)ethoxy)benz...)
Affinity DataKi:  0.800nMAssay Description:Binding affinity to human caspase 3More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCaspase-3(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50200305((S)-1-(4-iodobenzyl)-5-(2-phenoxymethyl-pyrrolidin...)
Affinity DataKi:  1.20nMAssay Description:Binding affinity to human caspase 3More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCaspase-3(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50200302((S)-5-[1-(2-methoxymethylpyrrolidinyl)sulfonyl]-1-...)
Affinity DataKi:  1.20nMAssay Description:Binding affinity to human caspase 3More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCaspase-3(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM10323(JMC522188 Compound 2 | IST-3 | CHEMBL439753 | 1-be...)
Affinity DataKi:  1.20nM IC50: 2.5nMAssay Description:The substrate peptides terminating in AMC/AFC are processed by caspases with or without inhibitors, and the accumulation of AMC/AFC was assessed with...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/4/2006
Entry Details Article
PubMed
TargetCaspase-3(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50200308((S)-1-(4-(tert-butyldimethylsilyloxy)benzyl)-5-[1-...)
Affinity DataKi:  1.90nMAssay Description:Binding affinity to human caspase 3More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCaspase-3(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM10323(JMC522188 Compound 2 | IST-3 | CHEMBL439753 | 1-be...)
Affinity DataKi:  2.5nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2007
Entry Details Article
PubMed
TargetCaspase-3(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50157539(Ac-Asp-Glu-Val-Asp-CHO | CHEMBL225647)
Affinity DataKi:  3.20nMAssay Description:Inhibition of human caspase 3 expressed in Escherichia coliMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCaspase-3(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM10334((S)-1-(4-Hydroxybenzyl)-5-(2-phenoxymethyl-pyrroli...)
Affinity DataKi:  4nMAssay Description:Binding affinity to human caspase 3More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCaspase-3(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM10351(1-[(4-methoxyphenyl)methyl]-5-{[(2S)-2-[(pyridin-3...)
Affinity DataKi:  4.40nM IC50: 3.90nMAssay 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 Depth
Date in BDB:
7/25/2006
Entry Details Article
PubMed
TargetCaspase-3(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM10330((S)-1-(4-Methoxybenzyl)-5-(2-phenoxymethyl-pyrroli...)
Affinity DataKi:  4.80nMAssay Description:Binding affinity to human caspase 3More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCaspase-3(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50200306((S)-1-(4-iodobenzyl)-5-[1-(2-methoxymethylpyrrolid...)
Affinity DataKi:  5.90nMAssay Description:Binding affinity to human caspase 3More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCaspase-3(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50133876((S)-3-{(S)-3-Methyl-2-[2-(naphthalen-1-yloxy)-acet...)
Affinity DataKi:  7.10nMAssay Description:Binding affinity against caspase-3 (Csp-3)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCaspase-3(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50200311((S)-1-(4-(2-bromoethoxy)benzyl)-5-[1-(2-methoxymet...)
Affinity DataKi:  8nMAssay Description:Binding affinity to human caspase 3More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCaspase-3(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM10318(5-{[(2S)-2-(phenoxymethyl)pyrrolidine-1-]sulfonyl}...)
Affinity DataKi:  8.30nMAssay Description:Binding affinity to human caspase 3More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCaspase-3(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50200310((S)-1-(4-(2-(4-methylphenylsulfonyloxy)ethoxy)benz...)
Affinity DataKi:  8.60nMAssay Description:Binding affinity to human caspase 3More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCaspase-3(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50200303((S)-1-(4-methoxybenzyl)-5-[1-(2-methoxymethylpyrro...)
Affinity DataKi:  9nMAssay Description:Binding affinity to human caspase 3More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCaspase-3(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50200314((S)-1-(4-(tert-butyldimethylsilyloxy)benzyl)-5-[1-...)
Affinity DataKi:  9.80nMAssay Description:Binding affinity to human caspase 3More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCaspase-3(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50338500((S)-1-((1-benzyl-1H-1,2,3-triazol-5-yl)methyl)-5-(...)
Affinity DataKi:  10.5nMAssay Description:Inhibition of caspase 3 using Ac-DEVD-AFC fluorogenic substrate by Lineweaver-Burk plot analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/5/2013
Entry Details Article
PubMed
TargetCaspase-3(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM10320((S)-1-Methyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]s...)
Affinity DataKi:  11nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2007
Entry Details Article
PubMed
TargetCaspase-3(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50200313((S)-5-[1-(2-methoxymethylpyrrolidinyl)sulfonyl]-1-...)
Affinity DataKi:  12.6nMAssay Description:Binding affinity to human caspase 3More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCaspase-3(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50200315((S)-1-(4-(2-bromoethoxy)benzyl)-5-[1-(2-phenoxymet...)
Affinity DataKi:  12.6nMAssay Description:Binding affinity to human caspase 3More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCaspase-3(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50338491((S)-1-((1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1H...)
Affinity DataKi:  14.5nMAssay Description:Inhibition of caspase 3 using Ac-DEVD-AFC fluorogenic substrate by Lineweaver-Burk plot analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/5/2013
Entry Details Article
PubMed
TargetCaspase-3(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM10320((S)-1-Methyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]s...)
Affinity DataKi:  15nMAssay Description:Inhibition of human recombinant caspase 3 using Ac-DEVD-AMC substrate assessed as accumulation of cleaved fluorogenic productMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/12/2016
Entry Details Article
PubMed
TargetCaspase-3(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM10320((S)-1-Methyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]s...)
Affinity DataKi:  15nMAssay Description:Inhibition of human recombinant caspase-3 assessed as Ac-DEVD-AMC conversion to 7-amino-4-methylcoumarin incubated for 10 mins prior to substrate add...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed
TargetCaspase-3(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM10320((S)-1-Methyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]s...)
Affinity DataKi:  15nMAssay Description:Evaluated for the dissociation constant for the inhibition of caspase-3More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCaspase-3(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM10318(5-{[(2S)-2-(phenoxymethyl)pyrrolidine-1-]sulfonyl}...)
Affinity DataKi:  15nM IC50: 44nMAssay Description:The substrate peptides terminating in AMC/AFC are processed by caspases with or without inhibitors, and the accumulation of AMC/AFC was assessed with...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/4/2006
Entry Details Article
PubMed
TargetCaspase-3(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM10348(5-{[(2S)-2-[(pyridin-3-yloxy)methyl]pyrrolidine-1-...)
Affinity DataKi:  16.1nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2007
Entry Details Article
PubMed
TargetCaspase-3(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50200309((S)-1-(4-(2-fluoroethoxy)benzyl)-5-[1-(2-methoxyme...)
Affinity DataKi:  17.9nMAssay Description:Binding affinity to human caspase 3More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCaspase-3(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM10315(5-{[(2S)-2-[(phenylamino)methyl]pyrrolidine-1-]sul...)
Affinity DataKi:  19nM IC50: 31nMAssay Description:The substrate peptides terminating in AMC/AFC are processed by caspases with or without inhibitors, and the accumulation of AMC/AFC was assessed with...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/4/2006
Entry Details Article
PubMed
TargetCaspase-3(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM223(5-{[(5-{[(2S)-1-carboxy-4-{[(2-chlorophenyl)methyl...)
Affinity DataKi:  20nM ΔG°:  -43.9kJ/molepH: 7.4 T: 2°CAssay Description:The effectiveness of compounds against the activity of human recombinant caspase-1-8 was measured using fluorometric assays. Assays were carried out ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2003
Entry Details Article
PubMed
TargetCaspase-3(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM226(Thiophene Scaffold 66b | (S)-5-({5-[1-Carboxymethy...)
Affinity DataKi:  20nM ΔG°:  -43.9kJ/molepH: 7.4 T: 2°CAssay Description:The effectiveness of compounds against the activity of human recombinant caspase-1-8 was measured using fluorometric assays. Assays were carried out ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2003
Entry Details Article
PubMed
TargetCaspase-3(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM263(5-{[(5-{[(2S)-1-carboxy-3-oxo-4-[(pyridin-3-ylmeth...)
Affinity DataKi:  20nM ΔG°:  -43.9kJ/molepH: 7.4 T: 2°CAssay Description:The effectiveness of compounds against the activity of human recombinant caspase-1-8 was measured using fluorometric assays. Assays were carried out ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2003
Entry Details Article
PubMed
TargetCaspase-3(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM280(5-{[(5-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl...)
Affinity DataKi:  20nM ΔG°:  -43.9kJ/molepH: 7.4 T: 2°CAssay Description:The effectiveness of compounds against the activity of human recombinant caspase-1-8 was measured using fluorometric assays. Assays were carried out ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2003
Entry Details Article
PubMed
TargetCaspase-3(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50149217(5-{[5-((R)-1-Carboxy-2-oxo-ethylcarbamoyl)-pyrimid...)
Affinity DataKi:  20nMAssay Description:Binding affinity against Caspase-3More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/30/2012
Entry Details Article
PubMed
TargetCaspase-3(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50200307((S)-1-(4-hydroxybenzyl)-5-[1-(2-methoxymethylpyrro...)
Affinity DataKi:  23.5nMAssay Description:Binding affinity to human caspase 3More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCaspase-3(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50546260(CHEMBL4782926)
Affinity DataKi:  25nMAssay Description:Inhibition of caspase-3 (unknown origin) using Ac-DEVD-AMCA as substrate incubated for 5 mins by Dixon plot analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/21/2022
Entry Details Article
PubMed
TargetCaspase-3(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50116264((S)-3-({(S)-(S)-5-[(S)-2-((S)-Acetyl-methyl-amino)...)
Affinity DataKi:  26nMAssay Description:Compound was tested for its inhibition against Caspase-3More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCaspase-3(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM224((S)-5-({5-[1-Carboxymethyl-3-(2-chloro-benzylsulfa...)
Affinity DataKi:  30nM ΔG°:  -42.9kJ/molepH: 7.4 T: 2°CAssay Description:The effectiveness of compounds against the activity of human recombinant caspase-1-8 was measured using fluorometric assays. Assays were carried out ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2003
Entry Details Article
PubMed
TargetCaspase-3(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM264((S)-5-({5-[1-Carboxymethyl-2-oxo-3-(pyridin-4-ylme...)
Affinity DataKi:  30nM ΔG°:  -42.9kJ/molepH: 7.4 T: 2°CAssay Description:The effectiveness of compounds against the activity of human recombinant caspase-1-8 was measured using fluorometric assays. Assays were carried out ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2003
Entry Details Article
PubMed
TargetCaspase-3(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM222((S)-5-({5-[1-Carboxymethyl-3-(2-chloro-benzylsulfa...)
Affinity DataKi:  30nM ΔG°:  -42.9kJ/molepH: 7.4 T: 2°CAssay Description:The effectiveness of compounds against the activity of human recombinant caspase-1-8 was measured using fluorometric assays. Assays were carried out ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2003
Entry Details Article
PubMed
TargetCaspase-3(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM227(Heterocyclic deriv. 69b | (S)-5-({5-[1-Carboxymeth...)
Affinity DataKi:  40nM ΔG°:  -42.2kJ/molepH: 7.4 T: 2°CAssay Description:The effectiveness of compounds against the activity of human recombinant caspase-1-8 was measured using fluorometric assays. Assays were carried out ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2003
Entry Details Article
PubMed
TargetCaspase-3(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM10305((S)-5-[1-(2-Methoxymethyl)pyrrolidinylsulfonyl]isa...)
Affinity DataKi:  41.8nMAssay Description:Binding affinity to human caspase 3More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCaspase-3(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM221(Pyridine Scaffold 4 | 5-{[(5-{[(2S)-1-carboxy-3-ox...)
Affinity DataKi:  50nM ΔG°:  -41.7kJ/molepH: 7.4 T: 2°CMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2003
Entry Details Article
PubMed
TargetCaspase-3(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM10320((S)-1-Methyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]s...)
Affinity DataKi:  56.1nMAssay Description:Binding affinity to human caspase 3More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCaspase-3(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM232(Heterocyclic deriv. 65b | 5-{[(3-{[(2S)-1-carboxy-...)
Affinity DataKi:  60nM ΔG°:  -41.2kJ/molepH: 7.4 T: 2°CAssay Description:The effectiveness of compounds against the activity of human recombinant caspase-1-8 was measured using fluorometric assays. Assays were carried out ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2003
Entry Details Article
PubMed
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