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ChEMBL ligand: CHEMBL549695 |
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DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
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CoV Replicase polyprotein 1ab/CoV RNA-dependent RNA polymerase/CoV Non-structural protein 15/CoV Non-structural protein 13/Replicase polyprotein 1ab in Severe acute respiratory syndrome coronavirus 2 (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4523582] [GtoPdb: 3125, 3139, 3206, 3261] [UniProtKB: P0DTD1] | ||||||||
ChEMBL | Binding affinity to CM5 chip immobilized full-length wild-type SARS-CoV-2 papain-like protease (1564 to 1878 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant incubated for 90 secs by SPR analysis | B | 4.97 | pKd | 10790 | nM | Kd | J Med Chem (2022) 65: 7561-7580 [PMID:35620927] |
ChEMBL | Inhibition of full-length SARS-CoV-2 PLpro expressed in Escherichia coli BL21(DE3) using HCC-RLRGG-NH(CH2)4NH-DABCYL probe as substrate incubated for 30 mins by enzymatic assay | B | 5.16 | pIC50 | 6970 | nM | IC50 | Eur J Med Chem (2022) 240: 114572-114572 [PMID:35797899] |
ChEMBL | Inhibition of full-length SARS-CoV-2 PLpro expressed in Escherichia coli BL21(DE3) using Ub-Rho as substrate incubated for 5 mins by enzymatic assay | B | 5.57 | pIC50 | 2670 | nM | IC50 | Eur J Med Chem (2022) 240: 114572-114572 [PMID:35797899] |
ChEMBL | Inhibition of SARS-CoV-2 papain-like protease nsp3 expressed in Escherichia coli BL21 (DE3) using LKGG-AMC probe as substrate by fluorescence based biochemical assay | B | 5.64 | pIC50 | 2300 | nM | IC50 | J Med Chem (2022) 65: 7561-7580 [PMID:35620927] |
ChEMBL | Inhibition of N-terminal His/TEV-tagged SARS-CoV-2 papain-like protease nsp3 (746 to 1060 residues) expressed in Escherichia coli BL21 (DE3) using (Z-Arg-Leu-Arg-Gly-Gly-AMC as substrate measured for 3 mins by multilabel plate reader method | B | 5.68 | pIC50 | 2100 | nM | IC50 | J Med Chem (2022) 65: 7561-7580 [PMID:35620927] |
ChEMBL | Inhibition of N-terminal 3xFlag-His6-tagged SARS-CoV-2 papain-like protease nsp3 (1564 to 1878 residues) expressed in baculovirus infected Sf9 insect cells using Pro3 as substrate by fluorescence based assay | B | 5.75 | pIC50 | 1789 | nM | IC50 | J Med Chem (2022) 65: 7561-7580 [PMID:35620927] |
ChEMBL | Inhibition of SARS-CoV-2 PLpro | B | 5.79 | pIC50 | 1610 | nM | IC50 | Eur J Med Chem (2022) 240: 114572-114572 [PMID:35797899] |
ChEMBL | Inhibition of full-length SARS-CoV-2 papain-like protease (1564 to 1878 residues) expressed in Escherichia coli Rosetta (DE3) using Arg-Leu-Arg-Gly-Gly-AMC as substrate by fluorescence based multimode plate reader method | B | 5.86 | pIC50 | 1390 | nM | IC50 | J Med Chem (2022) 65: 7561-7580 [PMID:35620927] |
ChEMBL | Inhibition of SARS-CoV-2 PLpro | B | 5.86 | pIC50 | 1390 | nM | IC50 | J Med Chem (2022) 65: 16252-16267 [PMID:36503248] |
ChEMBL | Inhibition of His tagged SARS-CoV-2 PLpro using Z-RLRGG-AMC as substrate assessed as substrate cleavage preincubated for 60 mins followed by substrate addition and measured every 3 mins for 72 mins by fluorescence based assay | B | 6.1 | pIC50 | 800 | nM | IC50 | J Nat Prod (2023) 86: 264-275 [PMID:36651644] |
ChEMBL | Inhibition of SARS CoV-2 PL protease (1541 to 1855 residues) incubated for 3 hrs by microplate reader analysis | B | 6.22 | pIC50 | 600 | nM | IC50 | J Med Chem (2022) 65: 2716-2746 [PMID:33186044] |
CoV Papain-like protease in SARS-CoV [GtoPdb: 3132] | ||||||||
GtoPdb | - | - | 6.22 | pIC50 | 600 | nM | IC50 | Proc Natl Acad Sci USA (2008) 105: 16119-24 [PMID:18852458] |
ChEMBL data shown on this page come from version 34:
Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR. (2024). The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res., 52(D1). DOI: 10.1093/nar/gkad1004. [EPMCID:10767899] [PMID:37933841]
Davies M, Nowotka M, Papadatos G, Dedman N, Gaulton A, Atkinson F, Bellis L, Overington JP. (2015) 'ChEMBL web services: streamlining access to drug discovery data and utilities.' Nucleic Acids Res., 43(W1). DOI: 10.1093/nar/gkv352. [EPMCID:25883136]