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Assay Detail

CHEMBL3776776

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Binding
Antagonist activity against 6xHis-MBP-fused human MR LBD domain (732 to 984 amino acid residues) C808S mutant expressed in Escherichia coli BL21(DE3) assessed as inhibition of aldosterone-mediated receptor activation after 16 hrs by luciferase assay
ChEMBL ↗
51
Total Activities
26
Compounds Tested
3
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Mineralocorticoid receptor (CHEMBL1994) ↗
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Identification of spirooxindole and dibenzoxazepine motifs as potent mineralocorticoid receptor antagonists.
Lotesta SD, Marcus AP, Zheng Y, Leftheris K, Noto PB, Meng S, Kandpal G, Chen G, Zhou J, McKeever B, Bukhtiyarov Y, Zhao Y, Lala DS, Singh SB, McGeehan GM.
Bioorg Med Chem (2016) 24 : 1384 -1391
PubMed 26897089 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 26 6.68 8.70
Inhibition 17 - -
Efficacy 8 - -

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL3775752 — — 2 8.70
CHEMBL3775389 — — 2 8.22
CHEMBL3774871 — — 2 7.72
CHEMBL3775473 — — 2 7.68
CHEMBL3775798 — — 2 7.64
CHEMBL3775464 — — 2 7.54
CHEMBL3775816 — — 2 7.36
CHEMBL3774852 — — 2 7.36
CHEMBL3775714 — — 2 7.31
CHEMBL3775370 — — 2 7.25
CHEMBL3775710 — — 2 6.99
CHEMBL3775296 — — 2 6.83
CHEMBL3775476 — — 2 6.75
CHEMBL3775291 — — 2 6.51
CHEMBL3775383 — — 2 6.50
CHEMBL3775577 — — 2 6.11
CHEMBL3774700 — — 2 5.82
CHEMBL3774738 — — 2 5.82
CHEMBL3774512 — — 2 5.80
CHEMBL3774930 — — 2 5.74
CHEMBL3775732 — — 2 5.64
CHEMBL3775588 — — 2 5.59
CHEMBL3775219 — — 2 5.52
CHEMBL3775893 — — 2 5.31
CHEMBL3775163 — — 2 5.28
CHEMBL3775253 — — 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL3775752 — IC50 = 2.0 nM 8.70
CHEMBL3775389 — IC50 = 6.0 nM 8.22
CHEMBL3774871 — IC50 = 19.0 nM 7.72
CHEMBL3775473 — IC50 = 21.0 nM 7.68
CHEMBL3775798 — IC50 = 23.0 nM 7.64
CHEMBL3775464 — IC50 = 29.0 nM 7.54
CHEMBL3775816 — IC50 = 44.0 nM 7.36
CHEMBL3774852 — IC50 = 44.0 nM 7.36
CHEMBL3775714 — IC50 = 49.0 nM 7.31
CHEMBL3775370 — IC50 = 56.0 nM 7.25
CHEMBL3775710 — IC50 = 103.0 nM 6.99
CHEMBL3775296 — IC50 = 148.0 nM 6.83
CHEMBL3775476 — IC50 = 176.0 nM 6.75
CHEMBL3775291 — IC50 = 306.0 nM 6.51
CHEMBL3775383 — IC50 = 318.0 nM 6.50
CHEMBL3775577 — IC50 = 772.0 nM 6.11
CHEMBL3774700 — IC50 = 1511.0 nM 5.82
CHEMBL3774738 — IC50 = 1506.0 nM 5.82
CHEMBL3774512 — IC50 = 1573.0 nM 5.80
CHEMBL3774930 — IC50 = 1803.0 nM 5.74
CHEMBL3775732 — IC50 = 2300.0 nM 5.64
CHEMBL3775588 — IC50 = 2552.0 nM 5.59
CHEMBL3775219 — IC50 = 2994.0 nM 5.52
CHEMBL3775893 — IC50 = 4935.0 nM 5.31
CHEMBL3775163 — IC50 = 5217.0 nM 5.28
CHEMBL3774738 — Efficacy = 100.0 % -
CHEMBL3774930 — Efficacy = 100.0 % -
CHEMBL3774512 — Efficacy = 100.0 % -
CHEMBL3775291 — Efficacy = 100.0 % -
CHEMBL3774700 — Efficacy = 100.0 % -
CHEMBL3775370 — Inhibition = 98.0 % -
CHEMBL3775752 — Inhibition = 49.0 % -
CHEMBL3775714 — Inhibition = 100.0 % -
CHEMBL3775588 — Inhibition = 100.0 % -
CHEMBL3775296 — Inhibition = 100.0 % -
CHEMBL3775383 — Inhibition = 100.0 % -
CHEMBL3774871 — Inhibition = 99.0 % -
CHEMBL3775732 — Efficacy = 100.0 % -
CHEMBL3775577 — Efficacy = 100.0 % -
CHEMBL3775710 — Efficacy = 100.0 % -
CHEMBL3775253 — IC50 > 10.0 nM -
CHEMBL3775163 — Inhibition = 100.0 % -
CHEMBL3775816 — Inhibition = 100.0 % -
CHEMBL3775464 — Inhibition = 98.0 % -
CHEMBL3775219 — Inhibition = 100.0 % -
CHEMBL3775389 — Inhibition = 100.0 % -
CHEMBL3774852 — Inhibition = 100.0 % -
CHEMBL3775893 — Inhibition = 96.0 % -
CHEMBL3775798 — Inhibition = 100.0 % -
CHEMBL3775473 — Inhibition = 98.0 % -