Assay Detail
ADMET
CHEMBL4136958
Review assay metadata, readout intent, target linkage, and publication context from the same page.
Displacement of Fluor.ES2 Green from human ERalpha by TR-FRET competitive binding assay
17
Total Activities
17
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | ADMET |
| Organism | Homo sapiens |
| Confidence | 9 — Direct single protein target |
| Curated By | Autocuration |
Publication
Disconnecting the Estrogen Receptor Binding Properties and Antimicrobial Properties of Parabens through 3,5-Substitution.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 17 | 5.11 | 9.35 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL135 | ESTRADIOL | 4.0 | 1 | 9.35 |
| CHEMBL459008 | BUTYLPARABEN | -1.0 | 1 | 5.85 |
| CHEMBL4166909 | — | — | 1 | 5.10 |
| CHEMBL4170305 | — | — | 1 | 5.09 |
| CHEMBL277346 | OCTYL_GALLATE | — | 1 | 5.06 |
| CHEMBL494005 | BUTYL GALLATE | — | 1 | 5.05 |
| CHEMBL4169994 | — | — | 1 | 4.88 |
| CHEMBL4165518 | — | — | 1 | 4.79 |
| CHEMBL4163053 | — | — | 1 | 4.53 |
| CHEMBL4171348 | — | — | 1 | 4.49 |
| CHEMBL4174801 | — | — | 1 | 4.46 |
| CHEMBL4159672 | — | — | 1 | 4.41 |
| CHEMBL4173755 | — | — | 1 | 4.26 |
| CHEMBL4168938 | — | — | 1 | 4.22 |
| CHEMBL4163451 | — | — | 1 | - |
| CHEMBL4160086 | — | — | 1 | - |
| CHEMBL4162076 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL135 | ESTRADIOL | IC50 | = | 0.452 | nM | 9.35 |
| CHEMBL459008 | BUTYLPARABEN | IC50 | = | 1420.0 | nM | 5.85 |
| CHEMBL4166909 | — | IC50 | = | 7980.0 | nM | 5.10 |
| CHEMBL4170305 | — | IC50 | = | 8210.0 | nM | 5.09 |
| CHEMBL277346 | OCTYL_GALLATE | IC50 | = | 8740.0 | nM | 5.06 |
| CHEMBL494005 | BUTYL GALLATE | IC50 | = | 8970.0 | nM | 5.05 |
| CHEMBL4169994 | — | IC50 | = | 13200.0 | nM | 4.88 |
| CHEMBL4165518 | — | IC50 | = | 16200.0 | nM | 4.79 |
| CHEMBL4163053 | — | IC50 | = | 29400.0 | nM | 4.53 |
| CHEMBL4171348 | — | IC50 | = | 32500.0 | nM | 4.49 |
| CHEMBL4174801 | — | IC50 | = | 34600.0 | nM | 4.46 |
| CHEMBL4159672 | — | IC50 | = | 39400.0 | nM | 4.41 |
| CHEMBL4173755 | — | IC50 | = | 55300.0 | nM | 4.26 |
| CHEMBL4168938 | — | IC50 | = | 60400.0 | nM | 4.22 |
| CHEMBL4163451 | — | IC50 | > | 200000.0 | nM | - |
| CHEMBL4160086 | — | IC50 | > | 200000.0 | nM | - |
| CHEMBL4162076 | — | IC50 | > | 200000.0 | nM | - |