BDBM50084655 CHEMBL92708::Calpeptin::Z-Leu-Nle-CHO::[(S)-1-((S)-1-Formyl-pentylcarbamoyl)-3-methyl-butyl]-carbamic acid benzyl ester::[1-((S)-(S)-1-Formyl-pentylcarbamoyl)-3-methyl-butyl]-carbamic acid benzyl ester::[1-(1-Formyl-pentylcarbamoyl)-3-methyl-butyl]-carbamic acid benzyl ester::[1-(1-Formyl-pentylcarbamoyl)-3-methyl-butyl]-carbamic acid benzyl ester(calpeptin)::benzyl (S)-4-methyl-1-oxo-1-((S)-1-oxohexan-2-ylamino)pentan-2-ylcarbamate

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

InChI Key InChIKey=PGGUOGKHUUUWAF-UHFFFAOYSA-N

Data  1 KI  15 IC50  1 Kd  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 50084655   

TargetReplicase polyprotein 1ab(2019-nCoV)
A*Star

LigandPNGBDBM50084655([(S)-1-((S)-1-Formyl-pentylcarbamoyl)-3-methyl-but...)
Affinity DataIC50: 1.07E+4nMAssay Description:The assays are from references cited in this article.More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/29/2021
Entry Details Article
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
A*Star

LigandPNGBDBM50084655([(S)-1-((S)-1-Formyl-pentylcarbamoyl)-3-methyl-but...)
Affinity DataKd:  1.22E+3nMAssay Description:Binding affinity to C-terminal His6-tagged recombinant SARS-CoV-2 MPro transfected in Escherichia coli BL21 (DE3) assessed as dissociation constant b...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2024
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
A*Star

LigandPNGBDBM50084655([(S)-1-((S)-1-Formyl-pentylcarbamoyl)-3-methyl-but...)
Affinity DataIC50: 2.43E+3nMAssay Description:Inhibition of C-terminal His6-tagged recombinant SARS-CoV-2 MPro transfected in Escherichia coli BL21 (DE3) using Dabcyl-KTSAVLQSGFRKM-E(Edans)-NH2 a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2024
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
A*Star

LigandPNGBDBM50084655([(S)-1-((S)-1-Formyl-pentylcarbamoyl)-3-methyl-but...)
Affinity DataIC50: 1.07E+4nMAssay Description:Inhibition of SARS-CoV-2 MProMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
A*Star

LigandPNGBDBM50084655([(S)-1-((S)-1-Formyl-pentylcarbamoyl)-3-methyl-but...)
Affinity DataIC50: 1.07E+4nMAssay Description:Inhibition of SARS-CoV-2 MProMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed
TargetCathepsin B(Human)
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50084655([(S)-1-((S)-1-Formyl-pentylcarbamoyl)-3-methyl-but...)
Affinity DataIC50: 1.00E+5nMAssay 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
LigandPNGBDBM50084655([(S)-1-((S)-1-Formyl-pentylcarbamoyl)-3-methyl-but...)
Affinity DataIC50: 297nMAssay 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)
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50084655([(S)-1-((S)-1-Formyl-pentylcarbamoyl)-3-methyl-but...)
Affinity DataIC50: 72nMAssay 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
TargetReplicase polyprotein 1ab(2019-nCoV)
A*Star

LigandPNGBDBM50084655([(S)-1-((S)-1-Formyl-pentylcarbamoyl)-3-methyl-but...)
Affinity DataIC50: 4.81E+3nMAssay Description:The assays are from references cited in this article.More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/29/2021
Entry Details Article
PubMed
TargetCathepsin K(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50084655([(S)-1-((S)-1-Formyl-pentylcarbamoyl)-3-methyl-but...)
Affinity DataIC50: 0.110nMAssay Description:Inhibitory activity against recombinant human cathepsin KMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
A*Star

LigandPNGBDBM50084655([(S)-1-((S)-1-Formyl-pentylcarbamoyl)-3-methyl-but...)
Affinity DataIC50: 1.00E+4nMAssay Description:SARS-CoV-2 3CLpro expression and purification is based on a published procedure and our modified protocol is found in the supplementary file. A highl...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/29/2021
Entry Details Article
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
A*Star

LigandPNGBDBM50084655([(S)-1-((S)-1-Formyl-pentylcarbamoyl)-3-methyl-but...)
Affinity DataEC50: <1.56E+3nMAssay Description:Briefly, Vero E6 cells (ATCC CRL-1586) seeded at 3.5 × 104 cells/well in 96-well plates were inoculated with 50 μ l of serial tenfold dilutions ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/31/2021
Entry Details Article

TargetCalpain-1 catalytic subunit(Human)
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50084655([(S)-1-((S)-1-Formyl-pentylcarbamoyl)-3-methyl-but...)
Affinity DataIC50: 52nMAssay Description:Inhibition of calpain (unknown origin) using Suc-LY-AMC as fluorogenic substrate after 60 mins by spectrofluorometric analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed
TargetCalpain-1 catalytic subunit(Human)
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50084655([(S)-1-((S)-1-Formyl-pentylcarbamoyl)-3-methyl-but...)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibitory activity against calpain.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed
TargetCalpain-1 catalytic subunit(Human)
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50084655([(S)-1-((S)-1-Formyl-pentylcarbamoyl)-3-methyl-but...)
Affinity DataIC50: 40nMAssay Description:Inhibitory activity against Calpain 1 in platelets.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed
TargetCalpain-1 catalytic subunit(Human)
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50084655([(S)-1-((S)-1-Formyl-pentylcarbamoyl)-3-methyl-but...)
Affinity DataIC50: 5nMAssay Description:Inhibitory activity was evaluated against recombinant human calpain IMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2010
Entry Details Article

TargetCathepsin K(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50084655([(S)-1-((S)-1-Formyl-pentylcarbamoyl)-3-methyl-but...)
Affinity DataIC50: 0.110nMAssay Description:Inhibitory activity against human cathepsin KMore 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
LigandPNGBDBM50084655([(S)-1-((S)-1-Formyl-pentylcarbamoyl)-3-methyl-but...)
Affinity DataKi:  7nMAssay Description:The binding affinity against calpain.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed