Assay Detail
ADMET
CHEMBL3039493
Review assay metadata, readout intent, target linkage, and publication context from the same page.
Ki values for sodium fluorescein (10 uM) uptake in OATP1B3-transfected CHO cells
67
Total Activities
66
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | ADMET |
| Organism | Cricetulus griseus |
| Cell Type | CHO |
| Confidence | 8 — Homologous single protein target |
| Curated By | Autocuration |
Target
Solute carrier organic anion transporter family member 1B3 (CHEMBL1743121) ↗| Type | SINGLE PROTEIN |
| Organism | Homo sapiens |
Publication
Structure-based identification of OATP1B1/3 inhibitors.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Ki | 67 | 5.72 | 7.10 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL1171146 | SARSASAPOGENIN | — | 1 | 7.10 |
| CHEMBL228281 | NORSTICTIC ACID | — | 1 | 6.38 |
| CHEMBL230006 | ENOXOLONE | 2.0 | 1 | 6.38 |
| CHEMBL1255855 | OLIGOMYCIN | — | 1 | 6.36 |
| CHEMBL3039411 | BUSSEIN | — | 1 | 6.28 |
| CHEMBL1603825 | SCANDENIN | — | 1 | 6.25 |
| CHEMBL3039293 | CHUKRASIN METHYL ETHER | — | 1 | 6.25 |
| CHEMBL1489769 | LASALOCID A SODIUM | — | 1 | 6.23 |
| CHEMBL3039300 | UTILIN | — | 1 | 6.22 |
| CHEMBL486400 | HEDERAGENIN | — | 1 | 6.17 |
| CHEMBL1200692 | OLMESARTAN MEDOXOMIL | 4.0 | 1 | 6.12 |
| CHEMBL15594 | ARACHIDONIC ACID | -1.0 | 1 | 6.09 |
| CHEMBL1161 | MOMETASONE FUROATE | 4.0 | 1 | 6.06 |
| CHEMBL191 | LOSARTAN | 4.0 | 1 | 6.05 |
| CHEMBL1200467 | HYDROXYZINE PAMOATE | 4.0 | 1 | 6.03 |
| CHEMBL1017 | TELMISARTAN | 4.0 | 1 | 6.02 |
| CHEMBL3138689 | — | — | 1 | 5.97 |
| CHEMBL551842 | LOBARIC ACID | — | 1 | 5.90 |
| CHEMBL1697717 | CARBENOXOLONE SODIUM | -1.0 | 1 | 5.83 |
| CHEMBL1200701 | DICLOXACILLIN SODIUM | 4.0 | 1 | 5.81 |
| CHEMBL1200688 | ERYTHROMYCIN ETHYLSUCCINATE | 4.0 | 1 | 5.79 |
| CHEMBL1456870 | GARCINOLIC ACID | — | 1 | 5.76 |
| CHEMBL1314749 | DECAHYDROGAMBOGIC ACID | — | 1 | 5.75 |
| CHEMBL1328088 | LEOIDIN | — | 1 | 5.74 |
| CHEMBL1014 | CANDESARTAN CILEXETIL | 4.0 | 1 | 5.72 |
| CHEMBL1491099 | GANGALEOIDIN | — | 1 | 5.70 |
| CHEMBL3137741 | — | — | 1 | 5.67 |
| CHEMBL1293 | BETA CAROTENE | 4.0 | 1 | 5.65 |
| CHEMBL1526240 | DIHYDROGAMBOGIC ACID | — | 1 | 5.65 |
| CHEMBL3138712 | — | — | 1 | 5.64 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL1171146 | SARSASAPOGENIN | Ki | = | 80.0 | nM | 7.10 |
| CHEMBL230006 | ENOXOLONE | Ki | = | 420.0 | nM | 6.38 |
| CHEMBL228281 | NORSTICTIC ACID | Ki | = | 420.0 | nM | 6.38 |
| CHEMBL1255855 | OLIGOMYCIN | Ki | = | 440.0 | nM | 6.36 |
| CHEMBL3039411 | BUSSEIN | Ki | = | 530.0 | nM | 6.28 |
| CHEMBL3039293 | CHUKRASIN METHYL ETHER | Ki | = | 560.0 | nM | 6.25 |
| CHEMBL1603825 | SCANDENIN | Ki | = | 560.0 | nM | 6.25 |
| CHEMBL1489769 | LASALOCID A SODIUM | Ki | = | 590.0 | nM | 6.23 |
| CHEMBL3039300 | UTILIN | Ki | = | 600.0 | nM | 6.22 |
| CHEMBL486400 | HEDERAGENIN | Ki | = | 680.0 | nM | 6.17 |
| CHEMBL1200692 | OLMESARTAN MEDOXOMIL | Ki | = | 750.0 | nM | 6.12 |
| CHEMBL15594 | ARACHIDONIC ACID | Ki | = | 820.0 | nM | 6.09 |
| CHEMBL1161 | MOMETASONE FUROATE | Ki | = | 870.0 | nM | 6.06 |
| CHEMBL191 | LOSARTAN | Ki | = | 890.0 | nM | 6.05 |
| CHEMBL1200467 | HYDROXYZINE PAMOATE | Ki | = | 940.0 | nM | 6.03 |
| CHEMBL1017 | TELMISARTAN | Ki | = | 960.0 | nM | 6.02 |
| CHEMBL3138689 | — | Ki | = | 1080.0 | nM | 5.97 |
| CHEMBL551842 | LOBARIC ACID | Ki | = | 1250.0 | nM | 5.90 |
| CHEMBL1697717 | CARBENOXOLONE SODIUM | Ki | = | 1480.0 | nM | 5.83 |
| CHEMBL1200701 | DICLOXACILLIN SODIUM | Ki | = | 1550.0 | nM | 5.81 |
| CHEMBL1200688 | ERYTHROMYCIN ETHYLSUCCINATE | Ki | = | 1610.0 | nM | 5.79 |
| CHEMBL1456870 | GARCINOLIC ACID | Ki | = | 1730.0 | nM | 5.76 |
| CHEMBL1314749 | DECAHYDROGAMBOGIC ACID | Ki | = | 1770.0 | nM | 5.75 |
| CHEMBL1328088 | LEOIDIN | Ki | = | 1840.0 | nM | 5.74 |
| CHEMBL1014 | CANDESARTAN CILEXETIL | Ki | = | 1900.0 | nM | 5.72 |
| CHEMBL1491099 | GANGALEOIDIN | Ki | = | 2020.0 | nM | 5.70 |
| CHEMBL3137741 | — | Ki | = | 2160.0 | nM | 5.67 |
| CHEMBL1293 | BETA CAROTENE | Ki | = | 2260.0 | nM | 5.65 |
| CHEMBL1526240 | DIHYDROGAMBOGIC ACID | Ki | = | 2240.0 | nM | 5.65 |
| CHEMBL3138712 | — | Ki | = | 2270.0 | nM | 5.64 |
| CHEMBL2218877 | ERYTHROMYCIN ESTOLATE | Ki | = | 2350.0 | nM | 5.63 |
| CHEMBL3138693 | — | Ki | = | 2390.0 | nM | 5.62 |
| CHEMBL3138693 | — | Ki | = | 2500.0 | nM | 5.60 |
| CHEMBL393220 | ATORVASTATIN CALCIUM | Ki | = | 2580.0 | nM | 5.59 |
| CHEMBL3138664 | — | Ki | = | 2550.0 | nM | 5.59 |
| CHEMBL3039417 | ANTHOTHECOL | Ki | = | 2640.0 | nM | 5.58 |
| CHEMBL501680 | BILIRUBIN | Ki | = | 2630.0 | nM | 5.58 |
| CHEMBL3085392 | PRIEURIANIN | Ki | = | 2630.0 | nM | 5.58 |
| CHEMBL504794 | beta-ESCIN | Ki | = | 2610.0 | nM | 5.58 |
| CHEMBL1255589 | LORGLUMIDE SODIUM | Ki | = | 2710.0 | nM | 5.57 |
| CHEMBL3039264 | 3-DEOXO-3beta-ACETOXYDEOXYDIHYDROGEDUNIN | Ki | = | 2670.0 | nM | 5.57 |
| CHEMBL3138711 | — | Ki | = | 2890.0 | nM | 5.54 |
| CHEMBL3138701 | — | Ki | = | 2890.0 | nM | 5.54 |
| CHEMBL1078052 | CHOLIC ACID, METHYL ESTER | Ki | = | 2890.0 | nM | 5.54 |
| CHEMBL1410 | NONOXYNOL 9 | Ki | = | 2870.0 | nM | 5.54 |
| CHEMBL2269376 | METHYL 6-ACETOXYANGOLENSATE | Ki | = | 2920.0 | nM | 5.54 |
| CHEMBL44 | GENISTEIN | Ki | = | 2960.0 | nM | 5.53 |
| CHEMBL3138678 | — | Ki | = | 3050.0 | nM | 5.52 |
| CHEMBL3138642 | — | Ki | = | 3060.0 | nM | 5.51 |
| CHEMBL210868 | AURIN | Ki | = | 3150.0 | nM | 5.50 |