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ChEMBL ligand: CHEMBL516703 (Withanone) |
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DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
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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 (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4523582] [GtoPdb: 3125, 3139, 3206, 3261] [UniProtKB: P0DTD1] | ||||||||
ChEMBL | Inhibition of recombinant SARS-COV2 main protease expressed in Escherichia coli Rosetta cells using DABCYL-KTSAVLQSGFRKME-EDANS as substrate pre-incubated for 60 mins followed by substarte addition by FRET-based assay | B | 5.74 | pIC50 | 1800 | nM | IC50 | J Nat Prod (2022) 85: 2340-2350 [PMID:36098617] |
CoV 3C-like (main) protease in SARS-CoV-2 [GtoPdb: 3111] | ||||||||
GtoPdb | - | - | 5.74 | pIC50 | 1800 | nM | IC50 | J Nat Prod (2022) 85: 2340-2350 [PMID:36098617] |
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]