MSA-2 [Ligand Id: 13531] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL4434776
  • stimulator of interferon response cGAMP interactor 1/Stimulator of interferon genes protein in Human [ChEMBL: CHEMBL4523377] [GtoPdb: 2902] [UniProtKB: Q86WV6]
  • stimulator of interferon response cGAMP interactor 1/Stimulator of interferon genes protein in Mouse [ChEMBL: CHEMBL4523311] [GtoPdb: 2902] [UniProtKB: Q3TBT3]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
stimulator of interferon response cGAMP interactor 1/Stimulator of interferon genes protein in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4523377] [GtoPdb: 2902] [UniProtKB: Q86WV6]
ChEMBL Displacement of [3H]-cGAMP from full-length wild type human STING by filtration binding assay B 5.76 pIC50 1720 nM IC50 J Med Chem (2023) 66: 5584-5610 [PMID:37027512]
ChEMBL Agonist activity at human STING in STING knockout human THP1-Blue ISG cells incubated for 24 hrs in presence of PMA by luciferase reporter assay B 4 pEC50 >100000 nM EC50 J Med Chem (2023) 66: 3327-3347 [PMID:36808996]
ChEMBL Agonist activity at wild type human STING expressed in baculovirus infected Sf21 insect cells B 4.62 pEC50 24000 nM EC50 J Med Chem (2021) 64: 1649-1669 [PMID:33470814]
ChEMBL Agonist activity at human STING HAQ mutant B 5.08 pEC50 8300 nM EC50 Eur J Med Chem (2022) 238: 114482-114482 [PMID:35671593]
ChEMBL Agonist activity at human STING HAQ expressed in baculovirus infected Sf21 insect cells B 5.08 pEC50 8300 nM EC50 J Med Chem (2021) 64: 1649-1669 [PMID:33470814]
ChEMBL Agonist activity at STING in human THP1-Dual cells assessed as ISG pathway activation incubated for 24 hrs by Quanti-Luc or Quanti-blue reagent based luminescence assay B 5.09 pEC50 8140 nM EC50 Eur J Med Chem (2022) 241: 114627-114627 [PMID:35963129]
ChEMBL Agonist activity at human STING in human THP1-Blue ISG cells incubated for 24 hrs in presence of PMA by luciferase reporter assay B 5.45 pEC50 3510 nM EC50 J Med Chem (2023) 66: 3327-3347 [PMID:36808996]
GtoPdb Determined in a filtration binding assay measuring displacement of [3H]-cGAMP from full length wild type STING. - 5.61 pEC50 2480 nM EC50 WO2018067423A1. BENZO[b]THIOPHENE COMPOUNDS AS STING AGONISTS (2018)
GtoPdb Determined in a filtration binding assay measuring displacement of [3H]-cGAMP from full length STING (with HAQ modification) in human THP1 cells. - 5.76 pEC50 1720 nM EC50 J Med Chem (2020) 63: 3785-3816 [PMID:31820978];
WO2018067423A1. BENZO[b]THIOPHENE COMPOUNDS AS STING AGONISTS (2018)
ChEMBL Displacement of [3H]-cGAMP from full length STING HAQ mutant in human THP1 cells by filtration binding assay B 5.76 pEC50 1720 nM EC50 J Med Chem (2020) 63: 3785-3816 [PMID:31820978]
stimulator of interferon response cGAMP interactor 1/Stimulator of interferon genes protein in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4523311] [GtoPdb: 2902] [UniProtKB: Q3TBT3]
ChEMBL Agonist activity at mouse STING in mouse RAW-Lucia ISG cells incubated for 24 hrs in presence of PMA by luciferase reporter assay B 4.46 pEC50 34540 nM EC50 J Med Chem (2023) 66: 3327-3347 [PMID:36808996]

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]