Assay Detail
Binding
CHEMBL872182
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Inhibitory concentration against recombinant rat androgen receptor expressed in Escherichia coli using [3H]methyltrienolone (R 1881)
119
Total Activities
116
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Rattus norvegicus |
| Confidence | 9 — Direct single protein target |
| Curated By | Expert |
Publication
Impact of induced fit on ligand binding to the androgen receptor: a multidimensional QSAR study to predict endocrine-disrupting effects of environmental chemicals.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 119 | 5.27 | 8.78 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL425863 | MIBOLERONE | 2.0 | 1 | 8.78 |
| CHEMBL27769 | STANOLONE | 2.0 | 1 | 8.65 |
| CHEMBL197309 | TRENBOLONE | — | 1 | 8.58 |
| CHEMBL166444 | METRIBOLONE | 2.0 | 1 | 8.51 |
| CHEMBL371356 | — | — | 1 | 7.96 |
| CHEMBL196228 | EPITESTOSTERONE | — | 1 | 7.80 |
| CHEMBL1395 | METHYLTESTOSTERONE | 4.0 | 1 | 7.80 |
| CHEMBL2107797 | NORGESTREL | 4.0 | 1 | 7.73 |
| CHEMBL717 | MEDROXYPROGESTERONE ACETATE | 4.0 | 2 | 7.45 |
| CHEMBL194749 | — | — | 1 | 7.05 |
| CHEMBL3085537 | — | — | 1 | 7.05 |
| CHEMBL1162 | NORETHINDRONE | 4.0 | 1 | 6.92 |
| CHEMBL194858 | — | — | 1 | 6.87 |
| CHEMBL366162 | DHT BENZOATE | — | 1 | 6.59 |
| CHEMBL373357 | — | — | 1 | 6.42 |
| CHEMBL135 | ESTRADIOL | 4.0 | 1 | 6.39 |
| CHEMBL195836 | — | — | 1 | 6.20 |
| CHEMBL139835 | CYPROTERONE ACETATE | 3.0 | 1 | 6.20 |
| CHEMBL1393 | SPIRONOLACTONE | 4.0 | 1 | 6.17 |
| CHEMBL274826 | ANDROSTENEDIONE | -1.0 | 1 | 5.89 |
| CHEMBL196003 | PROMEGESTONE | 2.0 | 1 | 5.88 |
| CHEMBL440283 | ANDROSTENEDIOL | -1.0 | 1 | 5.86 |
| CHEMBL103 | PROGESTERONE | 4.0 | 1 | 5.81 |
| CHEMBL1387 | NORETHYNODREL | 4.0 | 1 | 5.81 |
| CHEMBL198053 | — | — | 1 | 5.77 |
| CHEMBL1170 | TESTOSTERONE PROPIONATE | 4.0 | 1 | 5.72 |
| CHEMBL194532 | — | — | 1 | 5.70 |
| CHEMBL1412489 | — | — | 1 | 5.59 |
| CHEMBL386630 | TESTOSTERONE | 4.0 | 1 | 5.51 |
| CHEMBL364287 | DIHYDROXYMETHOXYCHLOROLEFIN | — | 1 | 5.20 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL425863 | MIBOLERONE | IC50 | = | 1.66 | nM | 8.78 |
| CHEMBL27769 | STANOLONE | IC50 | = | 2.239 | nM | 8.65 |
| CHEMBL197309 | TRENBOLONE | IC50 | = | 2.63 | nM | 8.58 |
| CHEMBL166444 | METRIBOLONE | IC50 | = | 3.09 | nM | 8.51 |
| CHEMBL371356 | — | IC50 | = | 10.96 | nM | 7.96 |
| CHEMBL1395 | METHYLTESTOSTERONE | IC50 | = | 15.85 | nM | 7.80 |
| CHEMBL196228 | EPITESTOSTERONE | IC50 | = | 15.85 | nM | 7.80 |
| CHEMBL2107797 | NORGESTREL | IC50 | = | 18.62 | nM | 7.73 |
| CHEMBL717 | MEDROXYPROGESTERONE ACETATE | IC50 | = | 35.48 | nM | 7.45 |
| CHEMBL194749 | — | IC50 | = | 89.13 | nM | 7.05 |
| CHEMBL3085537 | — | IC50 | = | 89.13 | nM | 7.05 |
| CHEMBL1162 | NORETHINDRONE | IC50 | = | 120.23 | nM | 6.92 |
| CHEMBL194858 | — | IC50 | = | 134.9 | nM | 6.87 |
| CHEMBL366162 | DHT BENZOATE | IC50 | = | 257.04 | nM | 6.59 |
| CHEMBL373357 | — | IC50 | = | 380.19 | nM | 6.42 |
| CHEMBL135 | ESTRADIOL | IC50 | = | 407.38 | nM | 6.39 |
| CHEMBL139835 | CYPROTERONE ACETATE | IC50 | = | 630.96 | nM | 6.20 |
| CHEMBL195836 | — | IC50 | = | 630.96 | nM | 6.20 |
| CHEMBL1393 | SPIRONOLACTONE | IC50 | = | 676.08 | nM | 6.17 |
| CHEMBL717 | MEDROXYPROGESTERONE ACETATE | IC50 | = | 794.33 | nM | 6.10 |
| CHEMBL274826 | ANDROSTENEDIONE | IC50 | = | 1288.25 | nM | 5.89 |
| CHEMBL196003 | PROMEGESTONE | IC50 | = | 1318.26 | nM | 5.88 |
| CHEMBL440283 | ANDROSTENEDIOL | IC50 | = | 1380.38 | nM | 5.86 |
| CHEMBL103 | PROGESTERONE | IC50 | = | 1548.82 | nM | 5.81 |
| CHEMBL1387 | NORETHYNODREL | IC50 | = | 1548.82 | nM | 5.81 |
| CHEMBL198053 | — | IC50 | = | 1698.24 | nM | 5.77 |
| CHEMBL1170 | TESTOSTERONE PROPIONATE | IC50 | = | 1905.46 | nM | 5.72 |
| CHEMBL194532 | — | IC50 | = | 1995.26 | nM | 5.70 |
| CHEMBL1412489 | — | IC50 | = | 2570.4 | nM | 5.59 |
| CHEMBL386630 | TESTOSTERONE | IC50 | = | 3090.3 | nM | 5.51 |
| CHEMBL364287 | DIHYDROXYMETHOXYCHLOROLEFIN | IC50 | = | 6309.57 | nM | 5.20 |
| CHEMBL691 | ETHINYL ESTRADIOL | IC50 | = | 8128.31 | nM | 5.09 |
| CHEMBL73380 | — | IC50 | = | 8317.64 | nM | 5.08 |
| CHEMBL467987 | — | IC50 | = | 8511.38 | nM | 5.07 |
| CHEMBL196585 | — | IC50 | = | 9120.11 | nM | 5.04 |
| CHEMBL2137046 | — | IC50 | = | 9332.54 | nM | 5.03 |
| CHEMBL196537 | CHLORDANE | IC50 | = | 10000.0 | nM | 5.00 |
| CHEMBL491499 | ZEARALANONE | IC50 | = | 10000.0 | nM | 5.00 |
| CHEMBL196239 | — | IC50 | = | 10471.29 | nM | 4.98 |
| CHEMBL153062 | 4-NONYLPHENOL | IC50 | = | 11481.54 | nM | 4.94 |
| CHEMBL462576 | KEPONE | IC50 | = | 12022.64 | nM | 4.92 |
| CHEMBL83 | TAMOXIFEN | IC50 | = | 12022.64 | nM | 4.92 |
| CHEMBL196732 | — | IC50 | = | 12882.5 | nM | 4.89 |
| CHEMBL28211 | NAFOXIDINE | IC50 | = | 12882.5 | nM | 4.89 |
| CHEMBL3138083 | — | IC50 | = | 13182.57 | nM | 4.88 |
| CHEMBL2355051 | CLOMIPHENE | IC50 | = | 13489.63 | nM | 4.87 |
| CHEMBL194400 | HEPTACHLOR | IC50 | = | 13489.63 | nM | 4.87 |
| CHEMBL411 | DIETHYLSTILBESTROL | IC50 | = | 14125.38 | nM | 4.85 |
| CHEMBL269003 | DIMETHYLSTILBESTROL | IC50 | = | 14125.38 | nM | 4.85 |
| CHEMBL364900 | — | IC50 | = | 14791.08 | nM | 4.83 |