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ChEMBL ligand: CHEMBL5075209 |
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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/Replicase polyprotein 1ab in Severe acute respiratory syndrome-related coronavirus (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5118] [GtoPdb: 3125, 3139, 3206] [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: 3125, 3139, 3206, 3261] [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]