Assay Detail
ADMET
CHEMBL4668599
Review assay metadata, readout intent, target linkage, and publication context from the same page.
Inhibition of human BSEP expressed in HEK293 cell membrane vesicles assessed as reduction in 3H-TCA uptake incubated for 5 mins by radiodetection method
15
Total Activities
15
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | ADMET |
| Organism | Homo sapiens |
| Cell Type | HEK293 |
| Confidence | 9 — Direct single protein target |
| Curated By | Autocuration |
Publication
Drug Induced Liver Injury (DILI). Mechanisms and Medicinal Chemistry Avoidance/Mitigation Strategies.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 15 | 5.42 | 6.58 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL595 | PIOGLITAZONE | 4.0 | 1 | 6.58 |
| CHEMBL160 | CYCLOSPORINE | 4.0 | 1 | 6.40 |
| CHEMBL163 | RITONAVIR | 4.0 | 1 | 5.66 |
| CHEMBL114 | SAQUINAVIR | 4.0 | 1 | 5.54 |
| CHEMBL157101 | KETOCONAZOLE | 4.0 | 1 | 5.47 |
| CHEMBL121 | ROSIGLITAZONE | 4.0 | 1 | 5.42 |
| CHEMBL472 | GLYBURIDE | 4.0 | 1 | 5.28 |
| CHEMBL408 | TROGLITAZONE | 4.0 | 1 | 5.23 |
| CHEMBL554 | LAPATINIB | 4.0 | 1 | 5.19 |
| CHEMBL623 | NEFAZODONE | 4.0 | 1 | 5.16 |
| CHEMBL1513 | IRBESARTAN | 4.0 | 1 | 5.14 |
| CHEMBL1484 | NICARDIPINE | 4.0 | 1 | 5.10 |
| CHEMBL772 | RESERPINE | 4.0 | 1 | 5.08 |
| CHEMBL191 | LOSARTAN | 4.0 | 1 | 5.07 |
| CHEMBL54349 | ALPIDEM | 4.0 | 1 | 5.04 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL595 | PIOGLITAZONE | IC50 | = | 260.0 | nM | 6.58 |
| CHEMBL160 | CYCLOSPORINE | IC50 | = | 400.0 | nM | 6.40 |
| CHEMBL163 | RITONAVIR | IC50 | = | 2200.0 | nM | 5.66 |
| CHEMBL114 | SAQUINAVIR | IC50 | = | 2900.0 | nM | 5.54 |
| CHEMBL157101 | KETOCONAZOLE | IC50 | = | 3400.0 | nM | 5.47 |
| CHEMBL121 | ROSIGLITAZONE | IC50 | = | 3800.0 | nM | 5.42 |
| CHEMBL472 | GLYBURIDE | IC50 | = | 5300.0 | nM | 5.28 |
| CHEMBL408 | TROGLITAZONE | IC50 | = | 5900.0 | nM | 5.23 |
| CHEMBL554 | LAPATINIB | IC50 | = | 6500.0 | nM | 5.19 |
| CHEMBL623 | NEFAZODONE | IC50 | = | 7000.0 | nM | 5.16 |
| CHEMBL1513 | IRBESARTAN | IC50 | = | 7300.0 | nM | 5.14 |
| CHEMBL1484 | NICARDIPINE | IC50 | = | 7900.0 | nM | 5.10 |
| CHEMBL772 | RESERPINE | IC50 | = | 8400.0 | nM | 5.08 |
| CHEMBL191 | LOSARTAN | IC50 | = | 8500.0 | nM | 5.07 |
| CHEMBL54349 | ALPIDEM | IC50 | = | 9200.0 | nM | 5.04 |