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Assay Detail

CHEMBL5729815

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

Binding
Binding Assay: The competition assay was performed in a 96-well plate (polystyrene*) which binds <2.0% of the total input [3H]-17beta-estradiol and each data point was gathered in triplicate. 100 uG/100 uL of the receptor preparation was aliquoted per well. A saturating dose of 2.5 nM [3H]17beta-estradiol+competitor (or buffer) in a 50 uL volume was added in the preliminary competition when 100x and 500x competitor were evaluated, only 0.8 nM [3H]17beta-estradiol was used. The plate was incubated at room temperature for 2.5 h. At the end of this incubation period 150 uL of ice-cold dextran coated charcoal (5% activated charcoal coated with 0.05% 69K dextran) was added to each well and the plate was immediately centrifuged at 99 g for 5 minutes at 4 C. 200 uL of the supernatant solution was then removed for scintillation counting. Samples were counted to 2% or 10 minutes, whichever occurs first.
162
Total Activities
53
Compounds Tested
3
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Confidence 8 — Homologous single protein target
Curated By Autocuration

Target

Estrogen receptor (CHEMBL206)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

2-Phenyl-1-[4-(2-Aminoethoxy)-Benzyl]-Indole and estrogen formulations
(2014)

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 54 7.23 9.00
kon 54 - -
k_off 54 - -

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL3657181 3 9.00
CHEMBL3657166 3 8.40
CHEMBL3657162 3 8.26
CHEMBL3657161 3 8.05
CHEMBL3657171 3 7.96
CHEMBL3657163 3 7.89
CHEMBL3657169 3 7.89
CHEMBL3657160 3 7.72
CHEMBL3657149 3 7.70
CHEMBL3657172 3 7.64
CHEMBL3657167 3 7.62
CHEMBL3657148 3 7.55
CHEMBL3657168 3 7.54
CHEMBL3657136 3 7.52
CHEMBL3657144 3 7.52
CHEMBL3657151 3 7.43
CHEMBL3657155 3 7.40
CHEMBL3657178 3 7.40
CHEMBL3657153 3 7.33
CHEMBL46740 BAZEDOXIFENE 4.0 3 7.30
CHEMBL3657165 3 7.30
CHEMBL3657175 3 7.24
CHEMBL3657177 3 7.22
CHEMBL44426 PIPENDOXIFENE 2.0 6 7.22
CHEMBL3657141 3 7.21
CHEMBL3657180 3 7.16
CHEMBL3657184 3 7.16
CHEMBL3657145 3 7.10
CHEMBL3657185 3 7.10
CHEMBL3657174 3 7.10

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL3657181 IC50 = 1.0 nM 9.00
CHEMBL3657166 IC50 = 4.0 nM 8.40
CHEMBL3657162 IC50 = 5.5 nM 8.26
CHEMBL3657161 IC50 = 9.0 nM 8.05
CHEMBL3657171 IC50 = 11.0 nM 7.96
CHEMBL3657163 IC50 = 13.0 nM 7.89
CHEMBL3657169 IC50 = 13.0 nM 7.89
CHEMBL3657160 IC50 = 19.0 nM 7.72
CHEMBL3657149 IC50 = 20.0 nM 7.70
CHEMBL3657172 IC50 = 23.0 nM 7.64
CHEMBL3657167 IC50 = 24.0 nM 7.62
CHEMBL3657148 IC50 = 28.0 nM 7.55
CHEMBL3657168 IC50 = 29.0 nM 7.54
CHEMBL3657144 IC50 = 30.0 nM 7.52
CHEMBL3657136 IC50 = 30.0 nM 7.52
CHEMBL3657151 IC50 = 37.0 nM 7.43
CHEMBL3657155 IC50 = 40.0 nM 7.40
CHEMBL3657178 IC50 = 40.0 nM 7.40
CHEMBL3657153 IC50 = 47.0 nM 7.33
CHEMBL3657165 IC50 = 50.0 nM 7.30
CHEMBL46740 BAZEDOXIFENE IC50 = 50.0 nM 7.30
CHEMBL3657175 IC50 = 57.0 nM 7.24
CHEMBL44426 PIPENDOXIFENE IC50 = 60.0 nM 7.22
CHEMBL3657177 IC50 = 60.0 nM 7.22
CHEMBL44426 PIPENDOXIFENE IC50 = 60.0 nM 7.22
CHEMBL3657141 IC50 = 62.0 nM 7.21
CHEMBL3657180 IC50 = 70.0 nM 7.16
CHEMBL3657184 IC50 = 70.0 nM 7.16
CHEMBL3657174 IC50 = 80.0 nM 7.10
CHEMBL3657145 IC50 = 80.0 nM 7.10
CHEMBL3657185 IC50 = 80.0 nM 7.10
CHEMBL3657156 IC50 = 80.0 nM 7.10
CHEMBL3657142 IC50 = 90.0 nM 7.05
CHEMBL3657154 IC50 = 100.0 nM 7.00
CHEMBL3705039 IC50 = 100.0 nM 7.00
CHEMBL3657173 IC50 = 99.0 nM 7.00
CHEMBL3657147 IC50 = 100.0 nM 7.00
CHEMBL3657183 IC50 = 100.0 nM 7.00
CHEMBL3657158 IC50 = 110.0 nM 6.96
CHEMBL3657159 IC50 = 110.0 nM 6.96
CHEMBL3657164 IC50 = 120.0 nM 6.92
CHEMBL3657135 IC50 = 120.0 nM 6.92
CHEMBL3657182 IC50 = 150.0 nM 6.82
CHEMBL3657152 IC50 = 150.0 nM 6.82
CHEMBL3657170 IC50 = 150.0 nM 6.82
CHEMBL3657157 IC50 = 170.0 nM 6.77
CHEMBL3657150 IC50 = 170.0 nM 6.77
CHEMBL3657143 IC50 = 200.0 nM 6.70
CHEMBL3657146 IC50 = 200.0 nM 6.70
CHEMBL3657138 IC50 = 300.0 nM 6.52