Assay Detail
Binding
CHEMBL5735980
Review assay metadata, readout intent, target linkage, and publication context from the same page.
Inhibition Assay: HER2: The compounds' inhibition of target modulation were determined as follows: BT474 cells were sorted in 96 well plates (20000 cells/well) with the DMEM medium containing 10% FBS overnight and then treated with tested compounds at a series of concentrations (3 μM, 0.3 μM, 0.1 μM, 0.03 μM, 0.01 μM, 0.003 μM, 0.001 μM, 0.0001 μM. The plates were incubated for 4 h at 37° C. with 5% CO2 and then the HER2 (Y1248) phosphorylation level of cells in each well were measured with MSD Kit (Phospho-ErbB2 (Tyr1248) Assay Whole Cell Lysate Kit: Cat # K151CLD-3). The assay is a electrochemiluminescent method (MESO SCALE DISCOVERY) for determining both phosphorylated and total HER2 of cells with an MSD SECTOR® Imager and then the ratio of p-HER2/total HER2 can be generated by the machine. The percentage of inhibition was got from formula: % inhibition=100×[1−(ratio of sample well−ratio of Min ctrl well)/(ratio of Max−Ratio of Min ctrl well)]. The IC50 values were further calculated as the compounds concentration required for 50% inhibition in best-fit curves using Prism GraphPad 7.0 or Microsoft Xlfit softwar
93
Total Activities
29
Compounds Tested
3
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Confidence | 8 — Homologous single protein target |
| Curated By | Autocuration |
Target
Receptor tyrosine-protein kinase erbB-2 (CHEMBL1824) ↗| Type | SINGLE PROTEIN |
| Organism | Homo sapiens |
Publication
ErbB receptor inhibitors
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 31 | 7.98 | 8.71 |
| kon | 31 | - | - |
| k_off | 31 | - | - |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL180022 | NERATINIB | 4.0 | 3 | 8.71 |
| CHEMBL3989868 | TUCATINIB | 4.0 | 3 | 8.70 |
| CHEMBL5916218 | — | — | 3 | 8.59 |
| CHEMBL5938975 | — | — | 3 | 8.25 |
| CHEMBL6048626 | — | — | 3 | 8.23 |
| CHEMBL5859357 | — | — | 3 | 8.21 |
| CHEMBL5760879 | — | — | 3 | 8.21 |
| CHEMBL5776764 | — | — | 3 | 8.17 |
| CHEMBL5890920 | — | — | 3 | 8.16 |
| CHEMBL5845030 | — | — | 6 | 8.16 |
| CHEMBL6057813 | — | — | 3 | 8.12 |
| CHEMBL5931908 | — | — | 3 | 8.11 |
| CHEMBL5941692 | — | — | 3 | 8.10 |
| CHEMBL5774833 | — | — | 3 | 8.02 |
| CHEMBL6006814 | — | — | 3 | 7.99 |
| CHEMBL5901840 | — | — | 3 | 7.97 |
| CHEMBL5797736 | — | — | 3 | 7.94 |
| CHEMBL5861126 | — | — | 3 | 7.90 |
| CHEMBL5799662 | — | — | 3 | 7.90 |
| CHEMBL6031572 | — | — | 3 | 7.88 |
| CHEMBL6017443 | — | — | 3 | 7.79 |
| CHEMBL5857271 | — | — | 3 | 7.78 |
| CHEMBL5739799 | — | — | 6 | 7.71 |
| CHEMBL5977568 | — | — | 3 | 7.71 |
| CHEMBL5882616 | — | — | 3 | 7.66 |
| CHEMBL554 | LAPATINIB | 4.0 | 3 | 7.64 |
| CHEMBL5989307 | — | — | 3 | 7.58 |
| CHEMBL6028879 | — | — | 3 | 7.36 |
| CHEMBL6049992 | — | — | 3 | 7.21 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL180022 | NERATINIB | IC50 | = | 1.96 | nM | 8.71 |
| CHEMBL3989868 | TUCATINIB | IC50 | = | 2.0 | nM | 8.70 |
| CHEMBL5916218 | — | IC50 | = | 2.55 | nM | 8.59 |
| CHEMBL5938975 | — | IC50 | = | 5.57 | nM | 8.25 |
| CHEMBL6048626 | — | IC50 | = | 5.84 | nM | 8.23 |
| CHEMBL5760879 | — | IC50 | = | 6.17 | nM | 8.21 |
| CHEMBL5859357 | — | IC50 | = | 6.17 | nM | 8.21 |
| CHEMBL5776764 | — | IC50 | = | 6.83 | nM | 8.17 |
| CHEMBL5890920 | — | IC50 | = | 6.92 | nM | 8.16 |
| CHEMBL5845030 | — | IC50 | = | 6.86 | nM | 8.16 |
| CHEMBL6057813 | — | IC50 | = | 7.56 | nM | 8.12 |
| CHEMBL5931908 | — | IC50 | = | 7.86 | nM | 8.11 |
| CHEMBL5941692 | — | IC50 | = | 7.96 | nM | 8.10 |
| CHEMBL5845030 | — | IC50 | = | 9.38 | nM | 8.03 |
| CHEMBL5774833 | — | IC50 | = | 9.56 | nM | 8.02 |
| CHEMBL6006814 | — | IC50 | = | 10.3 | nM | 7.99 |
| CHEMBL5901840 | — | IC50 | = | 10.6 | nM | 7.97 |
| CHEMBL5797736 | — | IC50 | = | 11.6 | nM | 7.94 |
| CHEMBL5861126 | — | IC50 | = | 12.6 | nM | 7.90 |
| CHEMBL5799662 | — | IC50 | = | 12.6 | nM | 7.90 |
| CHEMBL6031572 | — | IC50 | = | 13.1 | nM | 7.88 |
| CHEMBL6017443 | — | IC50 | = | 16.2 | nM | 7.79 |
| CHEMBL5857271 | — | IC50 | = | 16.8 | nM | 7.78 |
| CHEMBL5977568 | — | IC50 | = | 19.7 | nM | 7.71 |
| CHEMBL5739799 | — | IC50 | = | 19.6 | nM | 7.71 |
| CHEMBL5882616 | — | IC50 | = | 21.8 | nM | 7.66 |
| CHEMBL5739799 | — | IC50 | = | 22.4 | nM | 7.65 |
| CHEMBL554 | LAPATINIB | IC50 | = | 23.1 | nM | 7.64 |
| CHEMBL5989307 | — | IC50 | = | 26.0 | nM | 7.58 |
| CHEMBL6028879 | — | IC50 | = | 44.0 | nM | 7.36 |
| CHEMBL6049992 | — | IC50 | = | 61.3 | nM | 7.21 |
| CHEMBL6048626 | — | k_off | = | - | s-1 | - |
| CHEMBL6006814 | — | kon | = | - | — | - |
| CHEMBL5760879 | — | kon | = | - | — | - |
| CHEMBL5739799 | — | kon | = | - | — | - |
| CHEMBL5739799 | — | k_off | = | - | s-1 | - |
| CHEMBL3989868 | TUCATINIB | kon | = | - | — | - |
| CHEMBL3989868 | TUCATINIB | k_off | = | - | s-1 | - |
| CHEMBL180022 | NERATINIB | kon | = | - | — | - |
| CHEMBL180022 | NERATINIB | k_off | = | - | s-1 | - |
| CHEMBL554 | LAPATINIB | kon | = | - | — | - |
| CHEMBL554 | LAPATINIB | k_off | = | - | s-1 | - |
| CHEMBL6006814 | — | k_off | = | - | s-1 | - |
| CHEMBL5857271 | — | k_off | = | - | s-1 | - |
| CHEMBL5799662 | — | kon | = | - | — | - |
| CHEMBL5797736 | — | k_off | = | - | s-1 | - |
| CHEMBL5799662 | — | k_off | = | - | s-1 | - |
| CHEMBL6049992 | — | kon | = | - | — | - |
| CHEMBL5797736 | — | kon | = | - | — | - |
| CHEMBL6049992 | — | k_off | = | - | s-1 | - |