AZD9977 [Ligand Id: 11281] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL3916929 (Azd 9977, Azd-9977, Azd9977, AZD-9977, AZD9977, Balcinrenone) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2034] [GtoPdb: 625] [UniProtKB: P04150] | ||||||||
| ChEMBL | Binding affinity to recombinant human GR LBD by fluormone GS red-fluorescence polarization assay | B | 5.6 | pKi | 2511.89 | nM | Ki | J Med Chem (2019) 62: 1385-1406 [PMID:30596500] |
| Mineralocorticoid receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1994] [GtoPdb: 626] [UniProtKB: P08235] | ||||||||
| GtoPdb | Binding affinity to hMR. | - | 5 | pKi | >10000 | nM | Ki | J Med Chem (2019) 62: 1385-1406 [PMID:30596500] |
| ChEMBL | Displacement of [3H]-aldosterone to human mineralocorticoid receptor LBD by radiometric binding assay | B | 7.4 | pKi | 39.81 | nM | Ki | J Med Chem (2019) 62: 1385-1406 [PMID:30596500] |
| ChEMBL | Modulation activity at human mineralocorticoid receptor in human EA.hy926 cells assessed as blocking of nuclear translocation of mineralocorticoid receptor in presence of aldosterone by receptor translocation assay | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2019) 62: 1385-1406 [PMID:30596500] |
| ChEMBL | Antagonist activity at gal4-fused human mineralocorticoid receptor LBD expressed in UAS-MR-bla HEK293 cells by luciferase reporter gene assay | B | 6.4 | pIC50 | 398.11 | nM | IC50 | J Med Chem (2019) 62: 1385-1406 [PMID:30596500] |
| ChEMBL | Antagonist activity at full length human mineralocorticoid receptor expressed in human U2OS cells by luciferase reporter gene assay | B | 6.5 | pIC50 | 316.23 | nM | IC50 | J Med Chem (2019) 62: 1385-1406 [PMID:30596500] |
| ChEMBL | Binding Assay: Test A2: Briefly, in Test A1 the assay was run in 384 well format in 10 mM Tris-HCl, pH 7.5, 0.5 mM EDTA 20 mM NaMoO4, 0.1 mM DTT and 10% glycerol at rt. Compounds were tested in a 7 (Test A1) or 10 (Test A2) concentration response curve ranging from 10 nM to 10 μM (Test A1) or 1 nM to 37 μM (Test A2). Compounds were spotted at the bottom of a well of a 384-well PE Opti-Plate to yield final DMSO concentrations in the assay of 2%. Pre-made MBP-MR/P23 lysate: 3H-aldosterone mix (final assay concentration 7 μg/mL MBP-MR LBD/P23 lysate; 5 nM aldosterone) was added onto the top of the spotted compound and preincubated for 1 h at RT. After 1 h an equal volume anti-rabbit Imaging beads coupled with rabbit anti-MBP were added to the assay mixture and incubated for >8 h at rt. The inhibition of the scintillation signal by displacement of the bound 3H-aldosterone by test compounds is measured by scintillation counting using a CCD camera detection using a LEADseeker (PerkinElmer). | B | 6.62 | pIC50 | 240 | nM | IC50 | US-9394291-B2. Benzoxazinone amides as mineralocorticoid receptor modulators (2016) |
| ChEMBL | Binding Assay: Test A1: Briefly, in Test A1 the assay was run in 384 well format in 10 mM Tris-HCl, pH 7.5, 0.5 mM EDTA 20 mM NaMoO4, 0.1 mM DTT and 10% glycerol at rt. Compounds were tested in a 7 (Test A1) or 10 (Test A2) concentration response curve ranging from 10 nM to 10 μM (Test A1) or 1 nM to 37 μM (Test A2). Compounds were spotted at the bottom of a well of a 384-well PE Opti-Plate to yield final DMSO concentrations in the assay of 2%. Pre-made MBP-MR/P23 lysate: 3H-aldosterone mix (final assay concentration 7 μg/mL MBP-MR LBD/P23 lysate; 5 nM aldosterone) was added onto the top of the spotted compound and preincubated for 1 h at RT. After 1 h an equal volume anti-rabbit SPA beads coupled with rabbit anti-MBP were added to the assay mixture and incubated for 3 hrs at rt. The inhibition of the scintillation signal by displacement of the bound 3H-aldosterone by test compounds is measured by scintillation counting using a Microbeta Trilux (Wallac). | B | 6.89 | pIC50 | 130 | nM | IC50 | US-9394291-B2. Benzoxazinone amides as mineralocorticoid receptor modulators (2016) |
| ChEMBL | Modulation activity at human mineralocorticoid receptor in human EA.hy926 cells assessed as induction of nuclear translocation of mineralocorticoid receptor in absence of aldosterone by receptor translocation assay | B | 7.9 | pEC50 | 12.59 | nM | EC50 | J Med Chem (2019) 62: 1385-1406 [PMID:30596500] |
| Mineralocorticoid receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3507] [GtoPdb: 626] [UniProtKB: P22199] | ||||||||
| ChEMBL | Antagonist activity at gal4-fused rat mineralocorticoid receptor LBD in expressed in human U2OS cells by luciferase reporter gene assay | B | 7.1 | pIC50 | 79.43 | nM | IC50 | J Med Chem (2019) 62: 1385-1406 [PMID:30596500] |
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]
