cyclic di-GMP [Ligand Id: 13137] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL1231573
  • RocR in Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228) [ChEMBL: CHEMBL2396510] [UniProtKB: Q9HX69]
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  • 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
RocR in Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228) (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2396510] [UniProtKB: Q9HX69]
ChEMBL Competitive binding affinity to Pseudomonas aeruginosa PAO1 His6-tagged RocR expressed in Escherichia coli BL21 (DE3) after 5 mins in presence of [32P]-c-di-GMP B 7.7 pIC50 20 nM IC50 Bioorg Med Chem (2013) 21: 4396-4404 [PMID:23685177]
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 Binding affinity to human C-terminal STING domain (139 to 379 residues) by isothermal titration calorimetric method B 5.28 pKd 5200 nM Kd Medchemcomm (2019) 10: 1999-2023 [PMID:32206239]
ChEMBL Binding affinity to wild type human STING (139 to 379 residues) by ITC assay B 5.92 pKd 1210 nM Kd J Med Chem (2020) 63: 3785-3816 [PMID:31820978]
ChEMBL Binding affinity to human STING expressed in Escherichia coli by isothermal titration calorimetric method B 5.92 pKd 1210 nM Kd Medchemcomm (2019) 10: 1999-2023 [PMID:32206239]
ChEMBL Agonist activity at wild type human STING C-terminal domain (139 to 379 residues) assessed as dissociation constant by isothermal titration calorimetry analysis B 5.92 pKd 1210 nM Kd Eur J Med Chem (2022) 238: 114482-114482 [PMID:35671593]
ChEMBL Activation of recombinant human STING haplotype R293Q mutant expressed in 293T cells measured after 30 mins in presence of digitonin A by bright Glo-luciferase reporter gene assay B 4.35 pEC50 >45000 nM EC50 J Med Chem (2019) 62: 10676-10690 [PMID:31715099]
ChEMBL Activation of recombinant human wild-type STING expressed in 293T cells measured after 30 mins in presence of digitonin A by bright Glo-luciferase reporter gene assay B 5.35 pEC50 4500 nM EC50 J Med Chem (2019) 62: 10676-10690 [PMID:31715099]
ChEMBL Activation of wild-type human STING expressed in digitonin treated HEK293T cells co-expressing IRF3-activated ISRE assessed as IRF3 reporter activation by luciferase reporter gene assay B 5.35 pEC50 4470 nM EC50 J Med Chem (2021) 64: 7596-7616 [PMID:34019405]
ChEMBL Activation of recombinant human STING haplotype G230A/R293Q mutant expressed in 293T cells measured after 30 mins in presence of digitonin A by bright Glo-luciferase reporter gene assay B 5.96 pEC50 1100 nM EC50 J Med Chem (2019) 62: 10676-10690 [PMID:31715099]
ChEMBL Activation of human STING QA mutant expressed in digitonin treated HEK293T cells co-expressing IRF3-activated ISRE assessed as IRF3 reporter activation by luciferase reporter gene assay B 5.98 pEC50 1050 nM EC50 J Med Chem (2021) 64: 7596-7616 [PMID:34019405]
ChEMBL Activation of recombinant human STING haplotype R71H/G230A/R293Q mutant expressed in 293T cells measured after 30 mins in presence of digitonin A by bright Glo-luciferase reporter gene assay B 6.05 pEC50 900 nM EC50 J Med Chem (2019) 62: 10676-10690 [PMID:31715099]
ChEMBL Activation of human STING HAQ mutant expressed in digitonin treated HEK293T cells co-expressing IRF3-activated ISRE assessed as IRF3 reporter activation by luciferase reporter gene assay B 6.05 pEC50 890 nM EC50 J Med Chem (2021) 64: 7596-7616 [PMID:34019405]
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 Binding affinity to mouse C-terminal STING domain (139 to 378 residues) by isothermal titration calorimetric method B 6.96 pKd 110 nM Kd Medchemcomm (2019) 10: 1999-2023 [PMID:32206239]

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]