Assay Detail
ADMET
CHEMBL3531878
Review assay metadata, readout intent, target linkage, and publication context from the same page.
Competitive binding affinity to human PXR LBD (111 to 434) by TR-FRET assay
59
Total Activities
59
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 |
Target
Nuclear receptor subfamily 1 group I member 2 (CHEMBL3401) ↗| Type | SINGLE PROTEIN |
| Organism | Homo sapiens |
Publication
Identification of clinically used drugs that activate pregnane X receptors.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| EC50 | 59 | 5.20 | 6.70 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL374478 | RIFAMPIN | 4.0 | 1 | 6.70 |
| CHEMBL458767 | — | — | 1 | 6.36 |
| CHEMBL603 | ZAFIRLUKAST | 4.0 | 1 | 6.15 |
| CHEMBL413 | SIROLIMUS | 4.0 | 1 | 6.05 |
| CHEMBL517427 | NILVADIPINE | 3.0 | 1 | 6.05 |
| CHEMBL290106 | BITHIONOL | 4.0 | 1 | 6.00 |
| CHEMBL1200600 | FLUOROMETHOLONE | 4.0 | 1 | 5.89 |
| CHEMBL1475693 | FAMPROFAZONE | 2.0 | 1 | 5.89 |
| CHEMBL265502 | SURAMIN | 3.0 | 1 | 5.89 |
| CHEMBL175247 | ORLISTAT | 4.0 | 1 | 5.80 |
| CHEMBL8739 | LINOLENIC ACID | — | 1 | 5.60 |
| CHEMBL1200617 | RIMEXOLONE | 4.0 | 1 | 5.60 |
| CHEMBL134342 | THIOCTIC ACID | — | 1 | 5.55 |
| CHEMBL2146123 | METHACYCLINE HYDROCHLORIDE | 4.0 | 1 | 5.50 |
| CHEMBL2103827 | DROXIDOPA | 4.0 | 1 | 5.50 |
| CHEMBL316157 | CEPHALORIDINE | 4.0 | 1 | 5.50 |
| CHEMBL450613 | ZERANOL | 2.0 | 1 | 5.40 |
| CHEMBL7002 | CIGLITAZONE | 2.0 | 1 | 5.35 |
| CHEMBL1597 | DIMERCAPROL | 4.0 | 1 | 5.30 |
| CHEMBL1870919 | BUMECAINE | 2.0 | 1 | 5.30 |
| CHEMBL2104261 | ENZACAMENE | 2.0 | 1 | 5.30 |
| CHEMBL269732 | TACROLIMUS ANHYDROUS | 4.0 | 1 | 5.30 |
| CHEMBL1489769 | LASALOCID A SODIUM | — | 1 | 5.25 |
| CHEMBL1535402 | — | — | 1 | 5.20 |
| CHEMBL2107554 | SODIUM DIBUNATE | 4.0 | 1 | 5.20 |
| CHEMBL1201121 | HETACILLIN POTASSIUM | 4.0 | 1 | 5.20 |
| CHEMBL1480 | FELODIPINE | 4.0 | 1 | 5.15 |
| CHEMBL1411951 | — | — | 1 | 5.10 |
| CHEMBL13828 | OXATOMIDE | 2.0 | 1 | 5.10 |
| CHEMBL284733 | DICLAZURIL | 2.0 | 1 | 5.10 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL374478 | RIFAMPIN | EC50 | = | 200.0 | nM | 6.70 |
| CHEMBL458767 | — | EC50 | = | 440.0 | nM | 6.36 |
| CHEMBL603 | ZAFIRLUKAST | EC50 | = | 710.0 | nM | 6.15 |
| CHEMBL413 | SIROLIMUS | EC50 | = | 890.0 | nM | 6.05 |
| CHEMBL517427 | NILVADIPINE | EC50 | = | 890.0 | nM | 6.05 |
| CHEMBL290106 | BITHIONOL | EC50 | = | 1000.0 | nM | 6.00 |
| CHEMBL1200600 | FLUOROMETHOLONE | EC50 | = | 1300.0 | nM | 5.89 |
| CHEMBL1475693 | FAMPROFAZONE | EC50 | = | 1300.0 | nM | 5.89 |
| CHEMBL265502 | SURAMIN | EC50 | = | 1300.0 | nM | 5.89 |
| CHEMBL175247 | ORLISTAT | EC50 | = | 1600.0 | nM | 5.80 |
| CHEMBL8739 | LINOLENIC ACID | EC50 | = | 2500.0 | nM | 5.60 |
| CHEMBL1200617 | RIMEXOLONE | EC50 | = | 2500.0 | nM | 5.60 |
| CHEMBL134342 | THIOCTIC ACID | EC50 | = | 2800.0 | nM | 5.55 |
| CHEMBL316157 | CEPHALORIDINE | EC50 | = | 3200.0 | nM | 5.50 |
| CHEMBL2146123 | METHACYCLINE HYDROCHLORIDE | EC50 | = | 3200.0 | nM | 5.50 |
| CHEMBL2103827 | DROXIDOPA | EC50 | = | 3200.0 | nM | 5.50 |
| CHEMBL450613 | ZERANOL | EC50 | = | 4000.0 | nM | 5.40 |
| CHEMBL7002 | CIGLITAZONE | EC50 | = | 4500.0 | nM | 5.35 |
| CHEMBL1597 | DIMERCAPROL | EC50 | = | 5000.0 | nM | 5.30 |
| CHEMBL1870919 | BUMECAINE | EC50 | = | 5000.0 | nM | 5.30 |
| CHEMBL2104261 | ENZACAMENE | EC50 | = | 5000.0 | nM | 5.30 |
| CHEMBL269732 | TACROLIMUS ANHYDROUS | EC50 | = | 5000.0 | nM | 5.30 |
| CHEMBL1489769 | LASALOCID A SODIUM | EC50 | = | 5600.0 | nM | 5.25 |
| CHEMBL1201121 | HETACILLIN POTASSIUM | EC50 | = | 6300.0 | nM | 5.20 |
| CHEMBL1535402 | — | EC50 | = | 6300.0 | nM | 5.20 |
| CHEMBL2107554 | SODIUM DIBUNATE | EC50 | = | 6300.0 | nM | 5.20 |
| CHEMBL1480 | FELODIPINE | EC50 | = | 7100.0 | nM | 5.15 |
| CHEMBL1411951 | — | EC50 | = | 7900.0 | nM | 5.10 |
| CHEMBL13828 | OXATOMIDE | EC50 | = | 7900.0 | nM | 5.10 |
| CHEMBL284733 | DICLAZURIL | EC50 | = | 7900.0 | nM | 5.10 |
| CHEMBL1726 | NISOLDIPINE | EC50 | = | 7900.0 | nM | 5.10 |
| CHEMBL957 | BOSENTAN | EC50 | = | 8900.0 | nM | 5.05 |
| CHEMBL408 | TROGLITAZONE | EC50 | = | 8900.0 | nM | 5.05 |
| CHEMBL1702784 | — | EC50 | = | 10000.0 | nM | 5.00 |
| CHEMBL1289 | HALOPROGIN | EC50 | = | 10000.0 | nM | 5.00 |
| CHEMBL998 | LORATADINE | EC50 | = | 10000.0 | nM | 5.00 |
| CHEMBL1200883 | THONZONIUM BROMIDE | EC50 | = | 11200.0 | nM | 4.95 |
| CHEMBL3189011 | — | EC50 | = | 11200.0 | nM | 4.95 |
| CHEMBL1624 | LEVOTHYROXINE | EC50 | = | 11200.0 | nM | 4.95 |
| CHEMBL304818 | DOCEBENONE | EC50 | = | 12600.0 | nM | 4.90 |
| CHEMBL1318553 | — | EC50 | = | 12600.0 | nM | 4.90 |
| CHEMBL1743304 | REVERSE TRIIODOTHYRONINE | EC50 | = | 12600.0 | nM | 4.90 |
| CHEMBL465 | DRONABINOL | EC50 | = | 12600.0 | nM | 4.90 |
| CHEMBL40883 | — | EC50 | = | 14100.0 | nM | 4.85 |
| CHEMBL347036 | PROADIFEN HYDROCHLORIDE | EC50 | = | 14100.0 | nM | 4.85 |
| CHEMBL1891684 | RIODIPINE | EC50 | = | 14100.0 | nM | 4.85 |
| CHEMBL1201065 | THIAMYLAL SODIUM | EC50 | = | 14100.0 | nM | 4.85 |
| CHEMBL312862 | DEMECOLCINE | EC50 | = | 14100.0 | nM | 4.85 |
| CHEMBL52606 | COLFORSIN | EC50 | = | 14100.0 | nM | 4.85 |
| CHEMBL2356116 | — | EC50 | = | 15800.0 | nM | 4.80 |