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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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50084655   

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

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)
A*Star

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)
A*Star

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