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-ROUUACIJSA-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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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 50084655   

TargetCalpain-1 catalytic subunit(Human)
University of Queensland

Curated by ChEMBL
LigandPNGBDBM50084655(CHEMBL92708 | Calpeptin | Z-Leu-Nle-CHO | [(S)-1-(...)
Affinity DataKi:  7nMAssay Description:The binding affinity against calpain.Checked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetReplicase polyprotein 1ab(2019-nCoV)
European Biomedical Research Institute of Salerno (Ebris)

Curated by ChEMBL
LigandPNGBDBM50084655(CHEMBL92708 | Calpeptin | Z-Leu-Nle-CHO | [(S)-1-(...)
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 DepthDetails PubMed

TargetCalpain-1 catalytic subunit(Human)
University of Queensland

Curated by ChEMBL
LigandPNGBDBM50084655(CHEMBL92708 | Calpeptin | Z-Leu-Nle-CHO | [(S)-1-(...)
Affinity DataIC50:  5nMAssay Description:Inhibitory activity evaluated against recombinant human calpain 1More data for this Ligand-Target Pair
In DepthDetails Article

TargetCalpain-1 catalytic subunit(Human)
University of Queensland

Curated by ChEMBL
LigandPNGBDBM50084655(CHEMBL92708 | Calpeptin | Z-Leu-Nle-CHO | [(S)-1-(...)
Affinity DataIC50:  40nMAssay Description:Inhibitory activity against Calpain 1 in platelets.Checked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCalpain-1 catalytic subunit(Human)
University of Queensland

Curated by ChEMBL
LigandPNGBDBM50084655(CHEMBL92708 | Calpeptin | Z-Leu-Nle-CHO | [(S)-1-(...)
Affinity DataIC50:  1.00E+3nMAssay Description:Inhibitory activity against calpain.Checked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCalpain-1 catalytic subunit(Human)
University of Queensland

Curated by ChEMBL
LigandPNGBDBM50084655(CHEMBL92708 | Calpeptin | Z-Leu-Nle-CHO | [(S)-1-(...)
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 DepthDetails ArticlePubMed

TargetReplicase polyprotein 1ab(2019-nCoV)
European Biomedical Research Institute of Salerno (Ebris)

Curated by ChEMBL
LigandPNGBDBM50084655(CHEMBL92708 | Calpeptin | Z-Leu-Nle-CHO | [(S)-1-(...)
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 ...More data for this Ligand-Target Pair
In DepthDetails Article

TargetReplicase polyprotein 1ab(2019-nCoV)
European Biomedical Research Institute of Salerno (Ebris)

Curated by ChEMBL
LigandPNGBDBM50084655(CHEMBL92708 | Calpeptin | Z-Leu-Nle-CHO | [(S)-1-(...)
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 DepthDetails ArticlePubMed

TargetReplicase polyprotein 1ab(2019-nCoV)
European Biomedical Research Institute of Salerno (Ebris)

Curated by ChEMBL
LigandPNGBDBM50084655(CHEMBL92708 | Calpeptin | Z-Leu-Nle-CHO | [(S)-1-(...)
Affinity DataIC50:  1.07E+4nMAssay Description:The assays are from references cited in this article.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetReplicase polyprotein 1ab(2019-nCoV)
European Biomedical Research Institute of Salerno (Ebris)

Curated by ChEMBL
LigandPNGBDBM50084655(CHEMBL92708 | Calpeptin | Z-Leu-Nle-CHO | [(S)-1-(...)
Affinity DataIC50:  4.81E+3nMAssay Description:The assays are from references cited in this article.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetProcathepsin L(Human)
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50084655(CHEMBL92708 | Calpeptin | Z-Leu-Nle-CHO | [(S)-1-(...)
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 DepthDetails ArticlePubMed

TargetCalpain-1 catalytic subunit(Human)
University of Queensland

Curated by ChEMBL
LigandPNGBDBM50084655(CHEMBL92708 | Calpeptin | Z-Leu-Nle-CHO | [(S)-1-(...)
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 DepthDetails ArticlePubMed

TargetCathepsin B(Human)
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50084655(CHEMBL92708 | Calpeptin | Z-Leu-Nle-CHO | [(S)-1-(...)
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 DepthDetails ArticlePubMed

TargetReplicase polyprotein 1ab(2019-nCoV)
European Biomedical Research Institute of Salerno (Ebris)

Curated by ChEMBL
LigandPNGBDBM50084655(CHEMBL92708 | Calpeptin | Z-Leu-Nle-CHO | [(S)-1-(...)
Affinity DataIC50:  1.07E+4nMAssay Description:Inhibition of SARS-CoV-2 MProMore data for this Ligand-Target Pair
In DepthDetails PubMed

TargetReplicase polyprotein 1ab(2019-nCoV)
European Biomedical Research Institute of Salerno (Ebris)

Curated by ChEMBL
LigandPNGBDBM50084655(CHEMBL92708 | Calpeptin | Z-Leu-Nle-CHO | [(S)-1-(...)
Affinity DataIC50:  1.07E+4nMAssay Description:Inhibition of SARS-CoV-2 MProMore data for this Ligand-Target Pair
In DepthDetails PubMed

TargetReplicase polyprotein 1ab(2019-nCoV)
European Biomedical Research Institute of Salerno (Ebris)

Curated by ChEMBL
LigandPNGBDBM50084655(CHEMBL92708 | Calpeptin | Z-Leu-Nle-CHO | [(S)-1-(...)
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 DepthDetails PubMed

TargetCathepsin K(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50084655(CHEMBL92708 | Calpeptin | Z-Leu-Nle-CHO | [(S)-1-(...)
Affinity DataIC50:  0.110nMAssay Description:Inhibiory activity against recombinant human cathepsin KMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCathepsin K(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50084655(CHEMBL92708 | Calpeptin | Z-Leu-Nle-CHO | [(S)-1-(...)
Affinity DataIC50:  0.110nMAssay Description:Inhibitory activity against human cathepsin KMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed