BDBM50073850 (S)-2-((S)-2-Benzyloxycarbonylamino-3-methyl-butyrylamino)-3-phenyl-propionic acid::CHEMBL423112::MDL-28170::[(S)-1-(1-Benzyl-2-oxo-ethylcarbamoyl)-2-methyl-propyl]-carbamic acid benzyl ester::[1-(1-Benzyl-2-oxo-ethylcarbamoyl)-2-methyl-propyl]-carbamic acid benzyl ester::[1-(1-Formyl-2-phenyl-ethylcarbamoyl)-2-methyl-propyl]-carbamic acid benzyl ester::benzyl (2S)-3-methyl-1-oxo-1-(1-oxo-3-phenylpropan-2-ylamino)butan-2-ylcarbamate::benzyl (S)-3-methyl-1-oxo-1-(1-oxo-3-phenylpropan-2-ylamino)butan-2-ylcarbamate

SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C=O

InChI Key InChIKey=NGBKFLTYGSREKK-UHFFFAOYSA-N

Data  7 KI  22 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 29 hits for monomerid = 50073850   

TargetFalcipain 2(malaria parasite P. falciparum)
University of Messina

Curated by ChEMBL
LigandPNGBDBM50073850([(S)-1-(1-Benzyl-2-oxo-ethylcarbamoyl)-2-methyl-pr...)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of Plasmodium falciparum recombinant FP2A fused with maltose binding proteinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/7/2012
Entry Details Article
PubMed
TargetProcathepsin L(Human)
American University of Ras Al Khaimah

Curated by ChEMBL
LigandPNGBDBM50073850([(S)-1-(1-Benzyl-2-oxo-ethylcarbamoyl)-2-methyl-pr...)
Affinity DataIC50: 2.5nMAssay Description:Inhibition of human Cathepsin L using Z-Phe-Arg-AMC as substrate incubated for 4 hrs by fluorometric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details
PubMed
TargetProcathepsin L(Human)
American University of Ras Al Khaimah

Curated by ChEMBL
LigandPNGBDBM50073850([(S)-1-(1-Benzyl-2-oxo-ethylcarbamoyl)-2-methyl-pr...)
Affinity DataIC50: 2.5nMAssay Description:Inhibition of human recombinant Cathepsin L assessed as Kinact using Z-FR-AMC as substrate incubated for 30 mins by fluorometric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMed
TargetCathepsin B(Human)
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50073850([(S)-1-(1-Benzyl-2-oxo-ethylcarbamoyl)-2-methyl-pr...)
Affinity DataIC50: 96nMAssay Description:Inhibition of cathepsin B (unknown origin) using RR-AMC as substrate preincubated for 30 mins followed by substrate addition and further incubated fo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/27/2022
Entry Details Article
PubMed
TargetCalpain-1 catalytic subunit(Human)
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50073850([(S)-1-(1-Benzyl-2-oxo-ethylcarbamoyl)-2-methyl-pr...)
Affinity DataIC50: 99nMAssay Description:Inhibition of human erythrocytes mu-calpain using Pep1 as substrate incubated for 30 mins under shaking condition in presence of CaCl2 by fluorescenc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/27/2022
Entry Details Article
PubMed
TargetProcathepsin L(Human)
American University of Ras Al Khaimah

Curated by ChEMBL
LigandPNGBDBM50073850([(S)-1-(1-Benzyl-2-oxo-ethylcarbamoyl)-2-methyl-pr...)
Affinity DataIC50: 3.10nMAssay Description:Inhibition of cathepsin L (unknown origin) using Z-FR-AMC as substrate preincubated for 30 mins followed by substrate addition and further incubated ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/27/2022
Entry Details Article
PubMed
LigandPNGBDBM50073850([(S)-1-(1-Benzyl-2-oxo-ethylcarbamoyl)-2-methyl-pr...)
Affinity DataIC50: 40nMAssay Description:Inhibition of Calpain 1 by [3H]acetyl-casein assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/20/2010
Entry Details Article

TargetCalpain-1 catalytic subunit(Human)
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50073850([(S)-1-(1-Benzyl-2-oxo-ethylcarbamoyl)-2-methyl-pr...)
Affinity DataIC50: 70nMAssay Description:Inhibition of human erythrocytes mu-calpainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/22/2012
Entry Details Article
PubMed
TargetCalpain-1 catalytic subunit(Human)
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50073850([(S)-1-(1-Benzyl-2-oxo-ethylcarbamoyl)-2-methyl-pr...)
Affinity DataIC50: 70nMAssay Description:Inhibition of human erythrocytes mu-calpain by spectrofluorimeterMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/23/2012
Entry Details Article
PubMed
TargetCathepsin D(Human)
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50073850([(S)-1-(1-Benzyl-2-oxo-ethylcarbamoyl)-2-methyl-pr...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human liver cathepsin D after 30 mins by fluorometric end-point assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/23/2012
Entry Details Article
PubMed
TargetPro-cathepsin H(Human)
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50073850([(S)-1-(1-Benzyl-2-oxo-ethylcarbamoyl)-2-methyl-pr...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human liver cathepsin H after 30 mins by fluorometric end-point assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/23/2012
Entry Details Article
PubMed
TargetProcathepsin L(Human)
American University of Ras Al Khaimah

Curated by ChEMBL
LigandPNGBDBM50073850([(S)-1-(1-Benzyl-2-oxo-ethylcarbamoyl)-2-methyl-pr...)
Affinity DataIC50: 1.27E+3nMAssay Description:Inhibition of human liver cathepsin L after 30 mins by fluorometric end-point assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/23/2012
Entry Details Article
PubMed
TargetCathepsin B(Human)
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50073850([(S)-1-(1-Benzyl-2-oxo-ethylcarbamoyl)-2-methyl-pr...)
Affinity DataIC50: 1.36E+3nMAssay Description:Inhibition of human liver cathepsin B after 30 mins by fluorometric end-point assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/23/2012
Entry Details Article
PubMed
TargetCalpain-1 catalytic subunit(Human)
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50073850([(S)-1-(1-Benzyl-2-oxo-ethylcarbamoyl)-2-methyl-pr...)
Affinity DataIC50: 199nMAssay Description:Inhibition of human erythrocytes mu-calpain by fluorometric assay using pep2 as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/23/2012
Entry Details Article
PubMed
TargetCalpain-1 catalytic subunit(Human)
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50073850([(S)-1-(1-Benzyl-2-oxo-ethylcarbamoyl)-2-methyl-pr...)
Affinity DataIC50: 200nMAssay Description:Inhibition of human erythrocytes mu-calpain after 30 mins by fluorometric assay using pep1 as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/23/2012
Entry Details Article
PubMed
TargetFalcipain 2B(malaria parasite P. falciparum)
University of Messina

Curated by ChEMBL
LigandPNGBDBM50073850([(S)-1-(1-Benzyl-2-oxo-ethylcarbamoyl)-2-methyl-pr...)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of Plasmodium falciparum recombinant FP2B fused with maltose binding proteinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/7/2012
Entry Details Article
PubMed
TargetCathepsin B(Human)
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50073850([(S)-1-(1-Benzyl-2-oxo-ethylcarbamoyl)-2-methyl-pr...)
Affinity DataIC50: 100nMAssay Description:Inhibitory activity against cathepsin BMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/5/2012
Entry Details Article
PubMed
TargetCalpain-1 catalytic subunit(Human)
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50073850([(S)-1-(1-Benzyl-2-oxo-ethylcarbamoyl)-2-methyl-pr...)
Affinity DataIC50: 11nMAssay Description:Inhibitory activity using recombinant human Calpain 1 with Suc-Leu-Tyr-MNA as substrate.More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2010
Entry Details Article

TargetCalpain-1 catalytic subunit(Human)
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50073850([(S)-1-(1-Benzyl-2-oxo-ethylcarbamoyl)-2-methyl-pr...)
Affinity DataIC50: 17nMAssay Description:Inhibitory activity of compound against recombinant human Calpain 1More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/20/2010
Entry Details Article

TargetCalpain-1 catalytic subunit(Human)
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50073850([(S)-1-(1-Benzyl-2-oxo-ethylcarbamoyl)-2-methyl-pr...)
Affinity DataIC50: 70nMAssay Description:Inhibition of human mu-calpainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/11/2009
Entry Details Article
PubMed
TargetCalpain-1 catalytic subunit(Human)
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50073850([(S)-1-(1-Benzyl-2-oxo-ethylcarbamoyl)-2-methyl-pr...)
Affinity DataIC50: 200nMAssay Description:Inhibitory concentration against human plasma mu-calpainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCalpain-1 catalytic subunit(Human)
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50073850([(S)-1-(1-Benzyl-2-oxo-ethylcarbamoyl)-2-methyl-pr...)
Affinity DataIC50: 700nMAssay Description:Inhibition of degradation of tyrosine kinase pp60src by Calpain 1 in human plateletsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCalpain-1 catalytic subunit(Chicken)
Hoechst Marion Roussel

Curated by ChEMBL
LigandPNGBDBM50073850([(S)-1-(1-Benzyl-2-oxo-ethylcarbamoyl)-2-methyl-pr...)
Affinity DataKi:  10nMAssay Description:Inhibitory activity against chicken gizzard smooth muscle calpainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCalpain-1 catalytic subunit(Human)
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50073850([(S)-1-(1-Benzyl-2-oxo-ethylcarbamoyl)-2-methyl-pr...)
Affinity DataKi:  10nMAssay Description:Tested for inhibitory activity against calpain.More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/30/2012
Entry Details Article
PubMed
TargetCalpain-1 catalytic subunit(Human)
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50073850([(S)-1-(1-Benzyl-2-oxo-ethylcarbamoyl)-2-methyl-pr...)
Affinity DataKi:  15nMAssay Description:Inhibition of calpain, using human mu-calpain isolated from erythrocytes and Suc-Leu-Tyr-AMC as the fluorogenic substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCalpain-1 catalytic subunit(Human)
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50073850([(S)-1-(1-Benzyl-2-oxo-ethylcarbamoyl)-2-methyl-pr...)
Affinity DataKi:  15nMAssay Description:Inhibition of Suc-Leu-Tyr-AMC binding to human mu-calpain from erythrocytesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCalpain-1 catalytic subunit(Human)
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50073850([(S)-1-(1-Benzyl-2-oxo-ethylcarbamoyl)-2-methyl-pr...)
Affinity DataKi:  15.5nMAssay Description:Inhibitory activity against human Calpain 1 isolated from erythrocytesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCathepsin B(Human)
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50073850([(S)-1-(1-Benzyl-2-oxo-ethylcarbamoyl)-2-methyl-pr...)
Affinity DataKi:  18nMAssay Description:Inhibition of cathepsin BMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCathepsin B(Human)
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50073850([(S)-1-(1-Benzyl-2-oxo-ethylcarbamoyl)-2-methyl-pr...)
Affinity DataKi:  25nMAssay Description:Inhibition of human Cathepsin BMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed