Mpro inhibitor 13b [Ligand Id: 13382] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL5075209
  • CoV Replicase polyprotein 1ab/CoV RNA-dependent RNA polymerase/CoV Non-structural protein 15/Replicase polyprotein 1ab in Severe acute respiratory syndrome-related coronavirus [ChEMBL: CHEMBL5118] [GtoPdb: 312531393206] [UniProtKB: P0C6X7]
  • 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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  • cathepsin L in Human [GtoPdb: 2351] [UniProtKB: P07711]
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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/Replicase polyprotein 1ab in Severe acute respiratory syndrome-related coronavirus (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5118] [GtoPdb: 312531393206] [UniProtKB: P0C6X7]
ChEMBL Inhibition of SARS-CoV-1 MPro B 6.05 pIC50 900 nM IC50 J Med Chem (2023) 66: 3664-3702 [PMID:36857133]
ChEMBL Inhibition of SARS-CoV-1 MPro B 6.05 pIC50 900 nM IC50 Eur J Med Chem (2023) 257: 115491-115491 [PMID:37244162]
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 C-terminal 6-His-tagged recombinant SARS CoV 3CL protease expressed in Escherichia coli BL21-Gold DE3 cells by FRET assay B 6.05 pIC50 900 nM IC50 J Med Chem (2022) 65: 2716-2746 [PMID:33186044]
ChEMBL Inhibition of SARS-CoV-2 MPro B 6.05 pIC50 900 nM IC50 J Med Chem (2023) 66: 3664-3702 [PMID:36857133]
ChEMBL Inhibition of recombinant SARS-CoV-2 Main protease B 6.17 pIC50 670 nM IC50 J Med Chem (2021) 64: 3508-3545 [PMID:33764065]
ChEMBL Inhibition of SARS-CoV-2 Main protease transfected in Escherichia coli BL21-Gold (DE3) using (Dabcyl-KTSAVLQSGFRKM-E(Edans)-NH2 as substrate by FRET assay B 6.17 pIC50 670 nM IC50 J Med Chem (2022) 65: 12500-12534 [PMID:36169610]
ChEMBL Inhibition of recombinant SARS-COV2 main protease B 6.17 pIC50 670 nM IC50 Eur J Med Chem (2021) 213: 113157-113157 [PMID:33486200]
ChEMBL Inhibition of SARS CoV-2 Main protease using Dabcyl-KTSAVLQSGFRKM-E(Edans)-NH2 peptide as substrate by FRET assay B 6.17 pIC50 670 nM IC50 J Med Chem (2021) 64: 16922-16955 [PMID:34798775]
ChEMBL Inhibition of SARS-CoV-2 3CL protease B 6.17 pIC50 670 nM IC50 RSC Med Chem (2023) 14: 9-21 [PMID:36760740]
ChEMBL Inhibition of SARS-CoV-2 main protease using MCA-AVLQSGFR-Lys(Dnp)-Lys-NH2 as substrate by FRET analysis B 6.17 pIC50 670 nM IC50 Bioorg Med Chem Lett (2023) 86: 129238-129238 [PMID:36924946]
ChEMBL Inhibition of SARS-CoV-2 Main protease by FRET assay B 6.17 pIC50 670 nM IC50 Eur J Med Chem (2023) 257: 115491-115491 [PMID:37244162]
ChEMBL Inhibition of C-terminal 6-His-tagged recombinant SARS CoV-2 3CL protease expressed in Escherichia coli BL21-Gold DE3 cells by FRET assay B 6.17 pIC50 670 nM IC50 J Med Chem (2022) 65: 2716-2746 [PMID:33186044]
ChEMBL Inhibition of recombinant SARS-COV2 main protease using DabcylKTSAVLQISGFRKM-E(Edans)-N1-as substrate by FRET assay B 6.92 pIC50 120 nM IC50 J Med Chem (2022) 65: 13328-13342 [PMID:36179320]
cathepsin L in Human [GtoPdb: 2351] [UniProtKB: P07711]
GtoPdb - - 6.53 pKi 293 nM Ki J Med Chem (2024) 67: 7048-7067 [PMID:38630165]
CoV 3C-like (main) protease in SARS-CoV-2 [GtoPdb: 3111]
GtoPdb - - 6.92 pIC50 120 nM IC50 J Med Chem (2022) 65: 13328-13342 [PMID:36179320]

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]