cobicistat [Ligand Id: 7535] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL2095208 (Cobicistat, Cobicistat component of evotaz, Cobicistat component of genvoya, Cobicistat component of prezcobix, Cobicistat component of rezolsta, Cobicistat component of stribild, Cobicistat component of symtuza, Cobicistat on silicon dioxide, Cobicistat, (r,r,s)-, GS-9350, Tybost)
  • ABCG2/Broad substrate specificity ATP-binding cassette transporter ABCG2 in Human [ChEMBL: CHEMBL5393] [GtoPdb: 792] [UniProtKB: Q9UNQ0]
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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 [ChEMBL: CHEMBL4523582] [GtoPdb: 3125313932063261] [UniProtKB: P0DTD1]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
ABCG2/Broad substrate specificity ATP-binding cassette transporter ABCG2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5393] [GtoPdb: 792] [UniProtKB: Q9UNQ0]
ChEMBL Inhibition of ABCG2 (unknown origin) expressed in dog MDCK-II-BCRP cells assessed as Hoechst 33342 accumulation using Hoechst 33342 as substrate by microplate reader analysis B 4.23 pIC50 59000 nM IC50 Eur J Med Chem (2022) 237: 114346-114346 [PMID:35483322]
Protease in Human immunodeficiency virus 1 (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2366517] [UniProtKB: Q9YQ12]
ChEMBL Inhibition of HIV-1 protease B 4.52 pIC50 >30000 nM IC50 Bioorg Med Chem Lett (2014) 24: 995-999 [PMID:24412072]
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 Binding affinity to SARS-CoV-2 MPro assessed as dissociation constant by FRET analysis B 5.66 pKd 2200 nM Kd Eur J Med Chem (2023) 260: 115772-115772 [PMID:37659195]
ChEMBL Inhibition of SARS-CoV-2 MPro using Dabcyl-KTSAVLQSGFRKME-Edans as substrate preincubated for 30 mins followed by substrate addition measured after 15 mins by FRET assay B 5.17 pIC50 6700 nM IC50 Eur J Med Chem (2023) 260: 115772-115772 [PMID:37659195]

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]