compound 21 [PMID: 33786375] [Ligand Id: 12832] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL5180524
  • 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 [ChEMBL: CHEMBL4523582] [GtoPdb: 3125313932063261] [UniProtKB: P0DTD1]
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  • CoV 3C-like (main) protease in SARS-CoV-2 [GtoPdb: 3111]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
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: 3125313932063261] [UniProtKB: P0DTD1]
ChEMBL Inhibition of recombinant 6 his tagged SARS CoV-2 main protease expressed in Escherichia coli BL21 (DE3) using Dabcyl-KTSAVLQYSGFRKM-E as fluorogenic substrate incubated for 15 mins by FRET based assay B 7.74 pIC50 18 nM IC50 J Med Chem (2022) 65: 13343-13364 [PMID:36107752]
CoV 3C-like (main) protease in SARS-CoV-2 [GtoPdb: 3111]
GtoPdb - - 7.72 pIC50 19 nM IC50 ACS Cent Sci (2021) 7: 467-475 [PMID:33786375]

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]