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Assay Detail

CHEMBL4219451

Review assay metadata, readout intent, target linkage, and publication context from the same page.

Binding
Displacement of fluorescein-labeled estradiol (fluoromone) from human recombinant full-length estrogen receptor beta after 2 hrs by fluorescence polarization assay
24
Total Activities
24
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

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

Target

Estrogen receptor beta (CHEMBL242)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Lead Optimization of Benzoxepin-Type Selective Estrogen Receptor (ER) Modulators and Downregulators with Subtype-Specific ERα and ERβ Activity.
O'Boyle NM, Barrett I, Greene LM, Carr M, Fayne D, Twamley B, Knox AJS, Keely NO, Zisterer DM, Meegan MJ.
J Med Chem (2018) 61 : 514 -534
PubMed 28426931 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 24 7.28 9.26

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4228617 1 9.26
CHEMBL4227113 1 9.03
CHEMBL4225078 1 8.91
CHEMBL4228923 1 8.62
CHEMBL4224880 1 8.51
CHEMBL1091535 1 8.17
CHEMBL4225102 1 7.60
CHEMBL2137046 1 7.58
CHEMBL4225690 1 7.47
CHEMBL4225156 1 7.37
CHEMBL4228388 1 7.34
CHEMBL4224834 1 7.14
CHEMBL4228649 1 7.14
CHEMBL4229221 1 6.92
CHEMBL83 TAMOXIFEN 4.0 1 6.77
CHEMBL4227881 1 6.76
CHEMBL4228974 1 6.69
CHEMBL4225680 1 6.45
CHEMBL4228886 1 6.40
CHEMBL4225431 1 6.35
CHEMBL4225954 1 6.23
CHEMBL4225599 1 5.99
CHEMBL4225059 1 4.84
CHEMBL4228142 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4228617 IC50 = 0.55 nM 9.26
CHEMBL4227113 IC50 = 0.94 nM 9.03
CHEMBL4225078 IC50 = 1.23 nM 8.91
CHEMBL4228923 IC50 = 2.4 nM 8.62
CHEMBL4224880 IC50 = 3.1 nM 8.51
CHEMBL1091535 IC50 = 6.8 nM 8.17
CHEMBL4225102 IC50 = 25.0 nM 7.60
CHEMBL2137046 IC50 = 26.1 nM 7.58
CHEMBL4225690 IC50 = 34.0 nM 7.47
CHEMBL4225156 IC50 = 43.0 nM 7.37
CHEMBL4228388 IC50 = 46.0 nM 7.34
CHEMBL4224834 IC50 = 72.0 nM 7.14
CHEMBL4228649 IC50 = 72.0 nM 7.14
CHEMBL4229221 IC50 = 119.0 nM 6.92
CHEMBL83 TAMOXIFEN IC50 = 170.0 nM 6.77
CHEMBL4227881 IC50 = 175.0 nM 6.76
CHEMBL4228974 IC50 = 203.0 nM 6.69
CHEMBL4225680 IC50 = 354.0 nM 6.45
CHEMBL4228886 IC50 = 395.0 nM 6.40
CHEMBL4225431 IC50 = 447.0 nM 6.35
CHEMBL4225954 IC50 = 585.0 nM 6.23
CHEMBL4225599 IC50 = 1014.0 nM 5.99
CHEMBL4225059 IC50 = 14340.0 nM 4.84
CHEMBL4228142 IC50 - -