Assay Detail
ADMET
CHEMBL4011669
Review assay metadata, readout intent, target linkage, and publication context from the same page.
Inhibition of recombinant human BSEP expressed in baculovirus infected sf9 cell membrane vesicles assessed as reduction in ATP or AMP-dependent [3H]-taurocholic acid uptake in to vesicles preincubated for 5 mins followed by ATP/AMP addition measured after 5 mins by scintillation counting method
31
Total Activities
31
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
Human drug-induced liver injury severity is highly associated with dual inhibition of liver mitochondrial function and bile salt export pump.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 31 | 4.76 | 6.40 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL160 | CYCLOSPORINE | 4.0 | 1 | 6.40 |
| CHEMBL472 | GLYBURIDE | 4.0 | 1 | 5.82 |
| CHEMBL114 | SAQUINAVIR | 4.0 | 1 | 5.54 |
| CHEMBL623 | NEFAZODONE | 4.0 | 1 | 5.16 |
| CHEMBL1201404 | MOMETASONE | 3.0 | 1 | 5.03 |
| CHEMBL437765 | RIFAMYCIN | 4.0 | 1 | 5.02 |
| CHEMBL1428 | NIMODIPINE | 4.0 | 1 | 5.00 |
| CHEMBL1586 | BECLOMETHASONE | 2.0 | 1 | 4.99 |
| CHEMBL240597 | CHENODIOL | 4.0 | 1 | 4.97 |
| CHEMBL832 | SULFINPYRAZONE | 4.0 | 1 | 4.96 |
| CHEMBL808 | ECONAZOLE | 4.0 | 1 | 4.87 |
| CHEMBL388590 | BENZBROMARONE | 4.0 | 1 | 4.80 |
| CHEMBL374478 | RIFAMPIN | 4.0 | 1 | 4.73 |
| CHEMBL957 | BOSENTAN | 4.0 | 1 | 4.54 |
| CHEMBL409 | BICALUTAMIDE | 4.0 | 1 | 4.53 |
| CHEMBL1136 | TELITHROMYCIN | 4.0 | 1 | 4.52 |
| CHEMBL1481 | GLIMEPIRIDE | 4.0 | 1 | 4.47 |
| CHEMBL672 | FENOFIBRATE | 4.0 | 1 | 4.39 |
| CHEMBL139 | DICLOFENAC | 4.0 | 1 | 4.36 |
| CHEMBL686 | MEFENAMIC ACID | 4.0 | 1 | 4.24 |
| CHEMBL1200624 | ETHYNODIOL DIACETATE | 4.0 | 1 | 4.21 |
| CHEMBL841 | LOPERAMIDE | 4.0 | 1 | 4.17 |
| CHEMBL806 | FLUTAMIDE | 4.0 | 1 | 4.17 |
| CHEMBL193 | NIFEDIPINE | 4.0 | 1 | 4.16 |
| CHEMBL621 | TRAZODONE | 4.0 | 1 | 4.05 |
| CHEMBL753 | PHENOXYBENZAMINE | 4.0 | 1 | - |
| CHEMBL407 | FLUMAZENIL | 4.0 | 1 | - |
| CHEMBL926 | DOBUTAMINE | 4.0 | 1 | - |
| CHEMBL811 | BROMPHENIRAMINE | 4.0 | 1 | - |
| CHEMBL1467 | ALLOPURINOL | 4.0 | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL160 | CYCLOSPORINE | IC50 | = | 400.0 | nM | 6.40 |
| CHEMBL472 | GLYBURIDE | IC50 | = | 1500.0 | nM | 5.82 |
| CHEMBL114 | SAQUINAVIR | IC50 | = | 2900.0 | nM | 5.54 |
| CHEMBL623 | NEFAZODONE | IC50 | = | 7000.0 | nM | 5.16 |
| CHEMBL1201404 | MOMETASONE | IC50 | = | 9300.0 | nM | 5.03 |
| CHEMBL437765 | RIFAMYCIN | IC50 | = | 9500.0 | nM | 5.02 |
| CHEMBL1428 | NIMODIPINE | IC50 | = | 10100.0 | nM | 5.00 |
| CHEMBL1586 | BECLOMETHASONE | IC50 | = | 10300.0 | nM | 4.99 |
| CHEMBL240597 | CHENODIOL | IC50 | = | 10600.0 | nM | 4.97 |
| CHEMBL832 | SULFINPYRAZONE | IC50 | = | 11000.0 | nM | 4.96 |
| CHEMBL808 | ECONAZOLE | IC50 | = | 13400.0 | nM | 4.87 |
| CHEMBL388590 | BENZBROMARONE | IC50 | = | 15900.0 | nM | 4.80 |
| CHEMBL374478 | RIFAMPIN | IC50 | = | 18700.0 | nM | 4.73 |
| CHEMBL957 | BOSENTAN | IC50 | = | 29000.0 | nM | 4.54 |
| CHEMBL409 | BICALUTAMIDE | IC50 | = | 29300.0 | nM | 4.53 |
| CHEMBL1136 | TELITHROMYCIN | IC50 | = | 30000.0 | nM | 4.52 |
| CHEMBL1481 | GLIMEPIRIDE | IC50 | = | 34000.0 | nM | 4.47 |
| CHEMBL672 | FENOFIBRATE | IC50 | = | 41000.0 | nM | 4.39 |
| CHEMBL139 | DICLOFENAC | IC50 | = | 44000.0 | nM | 4.36 |
| CHEMBL686 | MEFENAMIC ACID | IC50 | = | 57000.0 | nM | 4.24 |
| CHEMBL1200624 | ETHYNODIOL DIACETATE | IC50 | = | 62000.0 | nM | 4.21 |
| CHEMBL841 | LOPERAMIDE | IC50 | = | 67000.0 | nM | 4.17 |
| CHEMBL806 | FLUTAMIDE | IC50 | = | 68000.0 | nM | 4.17 |
| CHEMBL193 | NIFEDIPINE | IC50 | = | 69000.0 | nM | 4.16 |
| CHEMBL621 | TRAZODONE | IC50 | = | 90000.0 | nM | 4.05 |
| CHEMBL753 | PHENOXYBENZAMINE | IC50 | > | 100000.0 | nM | - |
| CHEMBL407 | FLUMAZENIL | IC50 | > | 100000.0 | nM | - |
| CHEMBL926 | DOBUTAMINE | IC50 | > | 100000.0 | nM | - |
| CHEMBL811 | BROMPHENIRAMINE | IC50 | > | 100000.0 | nM | - |
| CHEMBL1467 | ALLOPURINOL | IC50 | > | 100000.0 | nM | - |
| CHEMBL49 | BUSPIRONE | IC50 | > | 100000.0 | nM | - |