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 33:
Mendez D, Gaulton A, Bento AP, Chambers J, De Veij M, Félix E, Magariños MP, Mosquera JF, Mutowo P, Nowotka M, Gordillo-Marañón M, Hunter F, Junco L, Mugumbate G, Rodriguez-Lopez M, Atkinson F, Bosc N, Radoux CJ, Segura-Cabrera A, Hersey A, Leach AR. (2019) 'ChEMBL: towards direct deposition of bioassay data' Nucleic Acids Res., 47(D1). DOI: 10.1093/nar/gky1075. [EPMCID:30398643]
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]
