Assay Detail
Binding
CHEMBL1687393
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Inhibition of BCRP expressed in MDCK cells using Hoechst 33342 staining
33
Total Activities
33
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Cell Type | MDCK |
| Confidence | 8 — Homologous single protein target |
| Curated By | Autocuration |
Target
Broad substrate specificity ATP-binding cassette transporter ABCG2 (CHEMBL5393) ↗| Type | SINGLE PROTEIN |
| Organism | Homo sapiens |
Publication
Structure-activity relationships of flavonoids as inhibitors of breast cancer resistance protein (BCRP).
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 33 | 5.32 | 6.68 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL488910 | — | — | 1 | 6.68 |
| CHEMBL77966 | RETUSIN | — | 1 | 6.41 |
| CHEMBL74898 | AYANIN | — | 1 | 6.34 |
| CHEMBL348475 | TARIQUIDAR | 3.0 | 1 | 6.03 |
| CHEMBL165509 | PENDULETIN | — | 1 | 5.92 |
| CHEMBL77993 | 3,5,6,7,8,3',4'-HEPTAMETHOXYFLAVONE | — | 1 | 5.85 |
| CHEMBL117 | CHRYSIN | — | 1 | 5.82 |
| CHEMBL76553 | — | — | 1 | 5.52 |
| CHEMBL28 | APIGENIN | — | 1 | 5.51 |
| CHEMBL137586 | 6-METHOXYFLAVONE | — | 1 | 5.47 |
| CHEMBL150 | KAEMPFEROL | 1.0 | 1 | 5.33 |
| CHEMBL1685067 | STROBOPININ-7-METHYLETHER | — | 1 | 5.31 |
| CHEMBL76447 | NOBILETIN | — | 1 | 5.31 |
| CHEMBL1685069 | Strobochrysin-dimethylether | — | 1 | 5.23 |
| CHEMBL44 | GENISTEIN | 2.0 | 1 | 5.16 |
| CHEMBL50 | QUERCETIN | 3.0 | 1 | 5.16 |
| CHEMBL254613 | PINOSTROBIN | — | 1 | 5.05 |
| CHEMBL226507 | SINENSETIN | — | 1 | 5.05 |
| CHEMBL275391 | CHRYSIN DIMETHYL ETHER | — | 1 | 5.04 |
| CHEMBL1685068 | DIMETHYLCRYPTOSTROBIN | — | 1 | 5.03 |
| CHEMBL1556958 | STROBOPININ | — | 1 | 4.96 |
| CHEMBL1685072 | NEOCALYCOPTERON | — | 1 | 4.96 |
| CHEMBL1685073 | — | — | 1 | 4.80 |
| CHEMBL107131 | DIMETHYLPINOCEMBRIN | — | 1 | 4.77 |
| CHEMBL275638 | FLAVONE | 2.0 | 1 | 4.77 |
| CHEMBL73930 | TANGERETIN | — | 1 | 4.72 |
| CHEMBL476292 | — | — | 1 | 4.72 |
| CHEMBL28626 | MORIN | — | 1 | 4.68 |
| CHEMBL1685074 | CALYFLORENON B | — | 1 | 4.54 |
| CHEMBL487017 | APIGETRIN | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL488910 | — | IC50 | = | 210.0 | nM | 6.68 |
| CHEMBL77966 | RETUSIN | IC50 | = | 390.0 | nM | 6.41 |
| CHEMBL74898 | AYANIN | IC50 | = | 460.0 | nM | 6.34 |
| CHEMBL348475 | TARIQUIDAR | IC50 | = | 940.0 | nM | 6.03 |
| CHEMBL165509 | PENDULETIN | IC50 | = | 1200.0 | nM | 5.92 |
| CHEMBL77993 | 3,5,6,7,8,3',4'-HEPTAMETHOXYFLAVONE | IC50 | = | 1400.0 | nM | 5.85 |
| CHEMBL117 | CHRYSIN | IC50 | = | 1500.0 | nM | 5.82 |
| CHEMBL76553 | — | IC50 | = | 3000.0 | nM | 5.52 |
| CHEMBL28 | APIGENIN | IC50 | = | 3100.0 | nM | 5.51 |
| CHEMBL137586 | 6-METHOXYFLAVONE | IC50 | = | 3400.0 | nM | 5.47 |
| CHEMBL150 | KAEMPFEROL | IC50 | = | 4700.0 | nM | 5.33 |
| CHEMBL1685067 | STROBOPININ-7-METHYLETHER | IC50 | = | 4900.0 | nM | 5.31 |
| CHEMBL76447 | NOBILETIN | IC50 | = | 4900.0 | nM | 5.31 |
| CHEMBL1685069 | Strobochrysin-dimethylether | IC50 | = | 5900.0 | nM | 5.23 |
| CHEMBL50 | QUERCETIN | IC50 | = | 6900.0 | nM | 5.16 |
| CHEMBL44 | GENISTEIN | IC50 | = | 6900.0 | nM | 5.16 |
| CHEMBL254613 | PINOSTROBIN | IC50 | = | 8900.0 | nM | 5.05 |
| CHEMBL226507 | SINENSETIN | IC50 | = | 9000.0 | nM | 5.05 |
| CHEMBL275391 | CHRYSIN DIMETHYL ETHER | IC50 | = | 9200.0 | nM | 5.04 |
| CHEMBL1685068 | DIMETHYLCRYPTOSTROBIN | IC50 | = | 9300.0 | nM | 5.03 |
| CHEMBL1556958 | STROBOPININ | IC50 | = | 11000.0 | nM | 4.96 |
| CHEMBL1685072 | NEOCALYCOPTERON | IC50 | = | 11000.0 | nM | 4.96 |
| CHEMBL1685073 | — | IC50 | = | 16000.0 | nM | 4.80 |
| CHEMBL107131 | DIMETHYLPINOCEMBRIN | IC50 | = | 17000.0 | nM | 4.77 |
| CHEMBL275638 | FLAVONE | IC50 | = | 17000.0 | nM | 4.77 |
| CHEMBL73930 | TANGERETIN | IC50 | = | 19000.0 | nM | 4.72 |
| CHEMBL476292 | — | IC50 | = | 19000.0 | nM | 4.72 |
| CHEMBL28626 | MORIN | IC50 | = | 21000.0 | nM | 4.68 |
| CHEMBL1685074 | CALYFLORENON B | IC50 | = | 29000.0 | nM | 4.54 |
| CHEMBL487017 | APIGETRIN | IC50 | - | — | - | |
| CHEMBL1685070 | — | IC50 | - | — | - | |
| CHEMBL1685071 | VITEXIN-4'-RHAMNOSIDE | IC50 | - | — | - | |
| CHEMBL251254 | HYPEROSIDE | IC50 | - | — | - |