glecaprevir [Ligand Id: 11267] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL3545363 (A-1282576, A-1282576.0, A-12825760, ABT-493, Glecaprevir, Glecaprevir component of mavyret)
  • Hepatitis C virus NS5B RNA-dependent RNA polymerase in Hepatitis C virus [ChEMBL: CHEMBL5375] [UniProtKB: Q8JXU8]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
Hepatitis C virus NS5B RNA-dependent RNA polymerase in Hepatitis C virus (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5375] [UniProtKB: Q8JXU8]
ChEMBL Binding affinity to Hepatitis C virus genotype 2a NS5B polymerase assessed as inhibition constant B 10.28 pKi 0.05 nM Ki J Med Chem (2024) 67: 885-921 [PMID:38179950]
Hepatitis C virus serine protease, NS3/NS4A in Hepatitis C virus (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL2095231] [UniProtKB: A3EZI9, D2K2A8]
ChEMBL Inhibition of HCV GT-3a NS3/4a protease using Ac-DE-D(Edans)-EE-Abu-c-[COO]-AS-K(Dabcy1)-NH2 preincubated for 1 hr followed by substrate addition B 9.3 pKi 0.5 nM Ki J Med Chem (2021) 64: 11972-11989 [PMID:34405680]
ChEMBL Inhibition of HCV GT-1a NS3/4a protease using Ac-DE-D(Edans)-EE-Abu-c-[COO]-AS-K(Dabcy1)-NH2 preincubated for 1 hr followed by substrate addition B 10.3 pKi 0.05 nM Ki J Med Chem (2021) 64: 11972-11989 [PMID:34405680]
Non-structural protein 4b in Hepacivirus hominis (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6066153] [UniProtKB: F5B4I0]
ChEMBL Binding affinity to Hepatitis C virus genotype 3a NS4B assessed as inhibition constant B 9.02 pKi 0.96 nM Ki J Med Chem (2024) 67: 885-921 [PMID:38179950]
ChEMBL Binding affinity to Hepatitis C virus genotype 4a NS4B assessed as inhibition constant B 9.04 pKi 0.92 nM Ki J Med Chem (2024) 67: 885-921 [PMID:38179950]
ChEMBL Binding affinity to Hepatitis C virus genotype 6a NS4B assessed as inhibition constant B 9.96 pKi 0.11 nM Ki J Med Chem (2024) 67: 885-921 [PMID:38179950]
ChEMBL Binding affinity to Hepatitis C virus genotype 4a NS4B assessed as inhibition constant B 10.04 pKi 0.09 nM Ki J Med Chem (2024) 67: 885-921 [PMID:38179950]
ChEMBL Binding affinity to Hepatitis C virus genotype 1a NS4B assessed as inhibition constant B 10.12 pKi 0.07 nM Ki J Med Chem (2024) 67: 885-921 [PMID:38179950]
ChEMBL Binding affinity to Hepatitis C virus genotype 1b NS4B assessed as inhibition constant B 10.2 pKi 0.06 nM Ki J Med Chem (2024) 67: 885-921 [PMID:38179950]
ChEMBL Inhibition of Hepatitis C virus genotype 3a NS4B B 5.1 pIC50 7900 nM IC50 J Med Chem (2024) 67: 885-921 [PMID:38179950]
ChEMBL Inhibition of Hepatitis C virus genotype 6a NS4B B 7.95 pIC50 11.3 nM IC50 J Med Chem (2024) 67: 885-921 [PMID:38179950]
ChEMBL Inhibition of Hepatitis C virus genotype 1b NS4B B 8.05 pIC50 8.9 nM IC50 J Med Chem (2024) 67: 885-921 [PMID:38179950]
ChEMBL Inhibition of Hepatitis C virus genotype 5a NS4B B 8.09 pIC50 8.1 nM IC50 J Med Chem (2024) 67: 885-921 [PMID:38179950]
ChEMBL Inhibition of Hepatitis C virus genotype 4a NS4B B 8.21 pIC50 6.1 nM IC50 J Med Chem (2024) 67: 885-921 [PMID:38179950]
ChEMBL Inhibition of Hepatitis C virus genotype 1a NS4B B 8.36 pIC50 4.4 nM IC50 J Med Chem (2024) 67: 885-921 [PMID:38179950]
ChEMBL Inhibition of Hepatitis C virus genotype 2b NS4B B 8.42 pIC50 3.8 nM IC50 J Med Chem (2024) 67: 885-921 [PMID:38179950]

ChEMBL data shown on this page come from version 36:

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]