[3H]aldosterone [Ligand Id: 3452] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL273453 (Aldosterona, Aldosterone, NSC-73856) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| protein kinase AMP-activated catalytic subunit alpha 2/5`-AMP-activated protein kinase catalytic subunit alpha-2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2116] [GtoPdb: 1542] [UniProtKB: P54646] | ||||||||
| ChEMBL | Agonist activity at AMPK (unknown origin) | B | 8.89 | pEC50 | 1.3 | nM | EC50 | Eur J Med Chem (2024) 267: 116117-116117 [PMID:38295689] |
| Androgen receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3072] [GtoPdb: 628] [UniProtKB: P15207] | ||||||||
| ChEMBL | Inhibitory concentration against recombinant rat androgen receptor expressed in Escherichia coli using [3H]methyltrienolone (R 1881) | B | 4.37 | pIC50 | >42657.95 | nM | IC50 | J Med Chem (2005) 48: 5666-5674 [PMID:16134935] |
| Corticosteroid-binding globulin in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2421] [UniProtKB: P08185] | ||||||||
| ChEMBL | Binding affinity to human CBG receptor (corticosteroid-binding globulins) | B | 6.28 | pKi | 524.81 | nM | Ki | J Med Chem (2004) 47: 2732-2742 [PMID:15139751] |
| Mineralocorticoid receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1994] [GtoPdb: 626] [UniProtKB: P08235] | ||||||||
| ChEMBL | Binding affinity to MR (unknown origin) | B | 9.3 | pKd | 0.5 | nM | Kd | J Med Chem (2017) 60: 2629-2650 [PMID:28051871] |
| ChEMBL | Antagonist activity at mineralocorticoid receptor-LBD in human U2OS cells transfected with Gal4-DBD assessed as inhibition of transactivation activity after 18 hrs by luciferase reporter gene assay | F | 8.03 | pIC50 | 9.27 | nM | IC50 | J Med Chem (2010) 53: 6947-6953 [PMID:20812681] |
| ChEMBL | Agonist activity at GAL4 DNA-binding domain fused MR (unknown origin) ligand binding domain expressed in UAS-bla H cells assessed as beta-lactamase transcriptional activation by FRET-based GeneBLAzer assay | B | 9.52 | pIC50 | 0.3 | nM | IC50 | Eur J Med Chem (2018) 157: 791-804 [PMID:30144697] |
| ChEMBL | Agonist activity at mineralocorticoid receptor ligand binding domain expressed in african green monkey COS7 cells co-transfected with Gal4-LBD by luciferase reporter gene assay | B | 8.42 | pEC50 | 3.8 | nM | EC50 | J Nat Prod (2009) 72: 1944-1948 [PMID:19863083] |
| ChEMBL | Agonist activity at MR (unknown origin) by Alpha Screen assay | B | 8.89 | pEC50 | 1.3 | nM | EC50 | Medchemcomm (2019) 10: 1412-1419 [PMID:31673308] |
| ChEMBL | Agonist activity at human MR expressed in CHO-K1 cells by PathHunter assay | B | 9.22 | pEC50 | 0.6 | nM | EC50 | J Med Chem (2022) 65: 9974-10000 [PMID:35797110] |
| ChEMBL | Mineralocorticoid Receptor Transactivation Potencies for Cortisol and 17-ester Derivatives: Mineralocorticoid receptor (MR) activation potency was assessed using a HEK 293T cell line containing the UAS-bla reporter (UAS-bla HEK 293T CELLSENSOR®). This cell line was stably cotransfected with an expression construct containing β-lactamase cDNA under control of the GAL4 Upstream Activator Sequence (UAS) and another expression construct encoding for the fusion protein GAL4(DBD)-MR(LBD). Results for one experiment performed in duplicate for 9 compounds and the control compound, aldosterone, in agonist mode are summarized in Table 4. All assays were performed as 10-point dose responses using a half log-fold dilution series starting with a maximum compound concentration of 100 nM. The compounds were incubated for 16 hours. The activation of the fusion protein GAL4(DBD)-MR(LBD) leads to expression of the reporter β-lactamase which is detected by the conversion of a FRET substrate in a ratiometric assay format. This functional assay allows for measurement of receptor agonism by compounds and can be used to determine compound potency and selectivity. Assay reproducibility was determined by calculating Z′ values for untreated versus maximum stimulation. The Z′ value was greater than 0.6, indicating good reproducibility of the assay format. | B | 9.33 | pEC50 | 0.47 | nM | EC50 | US-10188667-B2. Pharmaceutical compositions and methods of use of 4-pregenen-11β-17-21-triol-3,20-dione derivatives (2019) |
| ChEMBL | Agonist activity at mineralocorticoid receptor-LBD in human U2OS cells transfected with Gal4-DBD assessed as increase of transactivation activity after 18 hrs by luciferase reporter gene assay | F | 9.47 | pEC50 | 0.34 | nM | EC50 | J Med Chem (2010) 53: 6947-6953 [PMID:20812681] |
| ChEMBL | Agonist activity at human MCR expressed in HEK293 cells by luciferase reporter gene assay | B | 9.74 | pEC50 | 0.18 | nM | EC50 | Bioorg Med Chem Lett (2014) 24: 5265-5267 [PMID:25305688] |
| Mineralocorticoid receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3507] [GtoPdb: 626] [UniProtKB: P22199] | ||||||||
| GtoPdb | - | - | 9.52 | pKd | 0.3 | nM | Kd |
Am J Physiol (1984) 246: F227-33 [PMID:6320679]; Mol Cell Endocrinol (2005) 243: 35-42 [PMID:16188378] |
| ChEMBL | Displacement of [3H]aldosterone from Sprague-Dawley rat MR by liquid scintillation counting | B | 7.37 | pIC50 | 43 | nM | IC50 | Bioorg Med Chem Lett (2011) 21: 1744-1747 [PMID:21349712] |
| ChEMBL | Displacement of [3H]Aldo from mineralocorticoid receptor in Sprague-Dawley rat kidney after 2 hrs by liquid scintillation counting | B | 7.37 | pIC50 | 43 | nM | IC50 | Bioorg Med Chem Lett (2011) 21: 6310-6313 [PMID:21944856] |
| Sex hormone-binding globulin in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3305] [UniProtKB: P04278] | ||||||||
| ChEMBL | Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin | B | 5.32 | pKd | 4786.3 | nM | Kd | J Med Chem (2008) 51: 2047-2056 [PMID:18330978] |
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]
