Assay Detail
Binding
CHEMBL1008369
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Inhibition of HER2 extracellular domain sheddase activity in human BT474 cells after 72 hrs by ELISA
19
Total Activities
19
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Homo sapiens |
| Cell Type | BT-474 |
| Confidence | 9 — Direct single protein target |
| Curated By | Autocuration |
Target
Receptor tyrosine-protein kinase erbB-2 (CHEMBL1824) ↗| Type | SINGLE PROTEIN |
| Organism | Homo sapiens |
Publication
Compelling P1 substituent affect on metalloprotease binding profile enables the design of a novel cyclohexyl core scaffold with excellent MMP selectivity and HER-2 sheddase inhibition.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 19 | 6.94 | 7.75 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL496628 | — | — | 1 | 7.75 |
| CHEMBL495596 | — | — | 1 | 7.55 |
| CHEMBL221857 | — | — | 1 | 7.28 |
| CHEMBL497026 | — | — | 1 | 7.22 |
| CHEMBL496829 | — | — | 1 | 7.17 |
| CHEMBL497222 | — | — | 1 | 7.00 |
| CHEMBL523076 | — | — | 1 | 7.00 |
| CHEMBL521719 | — | — | 1 | 7.00 |
| CHEMBL496211 | — | — | 1 | 6.99 |
| CHEMBL445717 | — | — | 1 | 6.86 |
| CHEMBL495797 | — | — | 1 | 6.79 |
| CHEMBL496629 | — | — | 1 | 6.77 |
| CHEMBL496018 | — | — | 1 | 6.71 |
| CHEMBL496825 | — | — | 1 | 6.68 |
| CHEMBL497032 | — | — | 1 | 6.65 |
| CHEMBL387202 | — | — | 1 | 6.64 |
| CHEMBL252246 | — | — | 1 | 6.45 |
| CHEMBL496212 | — | — | 1 | 6.33 |
| CHEMBL497645 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL496628 | — | IC50 | = | 18.0 | nM | 7.75 |
| CHEMBL495596 | — | IC50 | = | 28.0 | nM | 7.55 |
| CHEMBL221857 | — | IC50 | = | 52.0 | nM | 7.28 |
| CHEMBL497026 | — | IC50 | = | 60.0 | nM | 7.22 |
| CHEMBL496829 | — | IC50 | = | 67.0 | nM | 7.17 |
| CHEMBL497222 | — | IC50 | = | 100.0 | nM | 7.00 |
| CHEMBL523076 | — | IC50 | = | 99.0 | nM | 7.00 |
| CHEMBL521719 | — | IC50 | = | 100.0 | nM | 7.00 |
| CHEMBL496211 | — | IC50 | = | 102.0 | nM | 6.99 |
| CHEMBL445717 | — | IC50 | = | 137.0 | nM | 6.86 |
| CHEMBL495797 | — | IC50 | = | 162.0 | nM | 6.79 |
| CHEMBL496629 | — | IC50 | = | 170.0 | nM | 6.77 |
| CHEMBL496018 | — | IC50 | = | 194.0 | nM | 6.71 |
| CHEMBL496825 | — | IC50 | = | 208.0 | nM | 6.68 |
| CHEMBL497032 | — | IC50 | = | 226.0 | nM | 6.65 |
| CHEMBL387202 | — | IC50 | = | 230.0 | nM | 6.64 |
| CHEMBL252246 | — | IC50 | = | 359.0 | nM | 6.45 |
| CHEMBL496212 | — | IC50 | = | 470.0 | nM | 6.33 |
| CHEMBL497645 | — | IC50 | - | — | - |