Literature summary for 3.4.22.B80 extracted from

Ghosh, A.K.; Takayama, J.; Rao, K.V.; Ratia, K.; Chaudhuri, R.; Mulhearn, D.C.; Lee, H.; Nichols, D.B.; Baliji, S.; Baker, S.C.; Johnson, M.E.; Mesecar, A.D.
Severe acute respiratory syndrome coronavirus papain-like novel protease inhibitors design, synthesis, protein-ligand X-ray structure and biological evaluation (2010), J. Med. Chem., 53, 4968-4979 .

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Inhibitors

Inhibitors	Comment	Organism	Structure
1-[(R)-1-(1-naphthyl)ethyl]-4-(2-methoxybenzylamino)carbonylpiperidine	EC50 value for inhibition of SARS-CoV replication in a cell-based assay is 0.0116 microM	severe acute respiratory syndrome coronavirus
1-[(R)-1-(1-naphthyl)ethyl]-4-(3-methoxybenzylamino)carbonylpiperidine	EC50 value for inhibition of SARS-CoV replication in a cell-based assay is 0.0097 microM	severe acute respiratory syndrome coronavirus
1-[(R)-1-(1-naphthyl)ethyl]-4-(4-methoxybenzylamino)carbonylpiperidine	EC50 value for inhibition of SARS-CoV replication in a cell-based assay is 0.0102 microM	severe acute respiratory syndrome coronavirus
1-[(R)-1-(1-naphthyl)ethyl]-4-[3,4-(methylenedioxy)benzylamino]carbonylpiperidine	EC50 value for inhibition of SARS-CoV replication in a cell-based assay is 0.0091 microM	severe acute respiratory syndrome coronavirus
1-[(S)-1-(1-naphthyl)ethyl]-4-[3,4-(methylenedioxy)benzylamino]carbonylpiperidine	EC50 value for inhibition of SARS-CoV replication in a cell-based assay is 0.0091 microM	severe acute respiratory syndrome coronavirus
1-[(S)-1-(2-naphthyl)ethyl]-4-(3-methoxybenzylamino)carbonylpiperidine	EC50 value for inhibition of SARS-CoV replication in a cell-based assay is above 0.025 microM	severe acute respiratory syndrome coronavirus
8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carboxylic acid	-	severe acute respiratory syndrome coronavirus

Organism

Organism	UniProt	Comment	Textmining
severe acute respiratory syndrome coronavirus	-	-	-

IC50 Value

IC50 Value	IC50 Value Maximum	Comment	Organism	Inhibitor	Structure
0.00032	-	pH 7.5, temperature not specified in the publication	severe acute respiratory syndrome coronavirus	1-[(R)-1-(1-naphthyl)ethyl]-4-[3,4-(methylenedioxy)benzylamino]carbonylpiperidine
0.00034	-	pH 7.5, temperature not specified in the publication	severe acute respiratory syndrome coronavirus	1-[(R)-1-(1-naphthyl)ethyl]-4-(3-methoxybenzylamino)carbonylpiperidine
0.00034	-	pH 7.5, temperature not specified in the publication	severe acute respiratory syndrome coronavirus	1-[(R)-1-(1-naphthyl)ethyl]-4-(4-methoxybenzylamino)carbonylpiperidine
0.00056	-	pH 7.5, temperature not specified in the publication	severe acute respiratory syndrome coronavirus	1-[(S)-1-(1-naphthyl)ethyl]-4-[3,4-(methylenedioxy)benzylamino]carbonylpiperidine
0.00121	-	pH 7.5, temperature not specified in the publication	severe acute respiratory syndrome coronavirus	1-[(R)-1-(1-naphthyl)ethyl]-4-(2-methoxybenzylamino)carbonylpiperidine
0.0058	-	pH 7.5, temperature not specified in the publication	severe acute respiratory syndrome coronavirus	1-[(S)-1-(2-naphthyl)ethyl]-4-(3-methoxybenzylamino)carbonylpiperidine
0.0592	-	pH 7.5, temperature not specified in the publication	severe acute respiratory syndrome coronavirus	8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carboxylic acid

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Release 2023.1 (January 2023)