compound 2i [PMID: 23245752] [Ligand Id: 11630] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL2316746
  • 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 [GtoPdb: 3111] [UniProtKB: P0C6U8]
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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 SARS-CoV2 main protease B 7.84 pKi 14.5 nM Ki J Med Chem (2022) 65: 16252-16267 [PMID:36503248]
ChEMBL Inhibition of SARS-CoV-2 3CLpro preincubated for 30 mins followed by addition of (Dabcyl)KTSAVLQSGFRKM(Glu) peptide substrate and measured after 1.5 hrs by FRET assay B 7.03 pIC50 94 nM IC50 Bioorg Med Chem Lett (2021) 48: 128263-128263 [PMID:34271072]
CoV 3C-like (main) protease in SARS-CoV [GtoPdb: 3111] [UniProtKB: P0C6U8]
GtoPdb - - 5.77 pIC50 1700 nM IC50 Bioorg Med Chem (2013) 21: 412-24 [PMID:23245752]

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]