Assay Detail
Binding
CHEMBL5730875
Review assay metadata, readout intent, target linkage, and publication context from the same page.
Inhibitory Activity Against Anaplastic Lymphoma Kinase (ALK): A proliferation inhibitory activity against the ALK of the compound represented by Chemical Formula 1 according to the present invention at an enzyme level, the following experiment was performed.In order to measure the inhibitory activity against the ALK, the compounds (2 μl) prepared in Examples 1 to 106 were added to Greiner 96 well round bottom plates, respectively, and the ALK enzyme (1 μl) and biotin-adhered peptide substrate (2 μl) were mixed for 15 minutes, and then, the plates were cultured. An ATP solution (5 μl) was added thereto, and then, a kinase reaction was performed at room temperature for 30 minutes. Streptavidin-adhered XL 665 (5 μl) and europium (Eu3+)-adhered anti-phosphotyrosine antibody (5 μl) dissolved in ethylenediaminetetraacetic acid solution was added to the reaction solution to stop the reaction, and cultured for 1 hour, and analyzed by using homogeneous time-resolved fluorescence (HTRF, Cisbio) The compounds were read in a wavelength range of 615/665 nm using a Wallac Envision 2103 instrument. The IC50 of each of the test compounds subjected to the above experiment was implemented using prism (version 5.01, GraphPad) software.Accordingly, IC50 of each of the compounds that reduce an ALK enzyme activity and a cell activity of L1196M (a non-small cell lung cancer cell including an ALK enzyme) to 50% was calculated, and as a result, it was found that all of the compounds prepared in Examples 1 to 106 according to the present invention had IC50 values of 0.01 μM or less.
324
Total Activities
107
Compounds Tested
3
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Homo sapiens |
| Confidence | 9 — Direct single protein target |
| Curated By | Autocuration |
Publication
Pyrimidine-2,4-diamine derivative and anticancer pharmaceutical composition comprising same as effective ingredient
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 108 | 9.08 | 9.68 |
| kon | 108 | - | - |
| k_off | 108 | - | - |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL4758611 | — | — | 3 | 9.68 |
| CHEMBL5844539 | — | — | 3 | 9.62 |
| CHEMBL5928907 | — | — | 3 | 9.52 |
| CHEMBL3608526 | — | — | 3 | 9.42 |
| CHEMBL3608528 | — | — | 3 | 9.28 |
| CHEMBL3608534 | — | — | 3 | 9.26 |
| CHEMBL3608642 | — | — | 3 | 9.18 |
| CHEMBL3608644 | — | — | 3 | 9.11 |
| CHEMBL4794087 | — | — | 3 | 9.00 |
| CHEMBL3608313 | — | — | 3 | 9.00 |
| CHEMBL3608530 | — | — | 3 | 9.00 |
| CHEMBL5826500 | — | — | 3 | 9.00 |
| CHEMBL4743579 | — | — | 3 | 9.00 |
| CHEMBL5985884 | — | — | 3 | 9.00 |
| CHEMBL4757036 | — | — | 3 | 9.00 |
| CHEMBL4765021 | — | — | 3 | 9.00 |
| CHEMBL4782674 | — | — | 3 | 9.00 |
| CHEMBL2403108 | CERITINIB | 4.0 | 3 | 9.00 |
| CHEMBL5848705 | — | — | 6 | 9.00 |
| CHEMBL1825138 | — | — | 3 | 7.44 |
| CHEMBL6014426 | — | — | 3 | - |
| CHEMBL6040449 | — | — | 3 | - |
| CHEMBL5854270 | — | — | 3 | - |
| CHEMBL4740616 | — | — | 3 | - |
| CHEMBL4739896 | — | — | 3 | - |
| CHEMBL4762173 | — | — | 3 | - |
| CHEMBL4755723 | — | — | 3 | - |
| CHEMBL4765052 | — | — | 3 | - |
| CHEMBL4760370 | — | — | 3 | - |
| CHEMBL5967717 | — | — | 3 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL4758611 | — | IC50 | = | 0.21 | nM | 9.68 |
| CHEMBL5844539 | — | IC50 | = | 0.24 | nM | 9.62 |
| CHEMBL5928907 | — | IC50 | = | 0.3 | nM | 9.52 |
| CHEMBL3608526 | — | IC50 | = | 0.38 | nM | 9.42 |
| CHEMBL3608528 | — | IC50 | = | 0.52 | nM | 9.28 |
| CHEMBL3608534 | — | IC50 | = | 0.55 | nM | 9.26 |
| CHEMBL3608642 | — | IC50 | = | 0.66 | nM | 9.18 |
| CHEMBL3608644 | — | IC50 | = | 0.78 | nM | 9.11 |
| CHEMBL4757036 | — | IC50 | = | 1.0 | nM | 9.00 |
| CHEMBL4765021 | — | IC50 | = | 1.0 | nM | 9.00 |
| CHEMBL3608530 | — | IC50 | = | 1.0 | nM | 9.00 |
| CHEMBL3608313 | — | IC50 | = | 1.0 | nM | 9.00 |
| CHEMBL5826500 | — | IC50 | = | 1.0 | nM | 9.00 |
| CHEMBL4782674 | — | IC50 | = | 1.0 | nM | 9.00 |
| CHEMBL4794087 | — | IC50 | = | 1.0 | nM | 9.00 |
| CHEMBL4743579 | — | IC50 | = | 1.0 | nM | 9.00 |
| CHEMBL5985884 | — | IC50 | = | 1.0 | nM | 9.00 |
| CHEMBL5848705 | — | IC50 | = | 1.0 | nM | 9.00 |
| CHEMBL2403108 | CERITINIB | IC50 | = | 1.0 | nM | 9.00 |
| CHEMBL1825138 | — | IC50 | = | 36.0 | nM | 7.44 |
| CHEMBL5835885 | — | k_off | = | - | s-1 | - |
| CHEMBL5878680 | — | IC50 | < | 10.0 | nM | - |
| CHEMBL3608523 | — | k_off | = | - | s-1 | - |
| CHEMBL6043497 | — | kon | = | - | — | - |
| CHEMBL5971273 | — | k_off | = | - | s-1 | - |
| CHEMBL5971273 | — | kon | = | - | — | - |
| CHEMBL5971273 | — | IC50 | < | 10.0 | nM | - |
| CHEMBL5974511 | — | k_off | = | - | s-1 | - |
| CHEMBL5974511 | — | kon | = | - | — | - |
| CHEMBL3608523 | — | IC50 | < | 10.0 | nM | - |
| CHEMBL5974511 | — | IC50 | < | 10.0 | nM | - |
| CHEMBL6043497 | — | k_off | = | - | s-1 | - |
| CHEMBL3608523 | — | kon | = | - | — | - |
| CHEMBL5897655 | — | IC50 | < | 10.0 | nM | - |
| CHEMBL5897655 | — | kon | = | - | — | - |
| CHEMBL5835885 | — | kon | = | - | — | - |
| CHEMBL5835885 | — | IC50 | < | 10.0 | nM | - |
| CHEMBL5988889 | — | k_off | = | - | s-1 | - |
| CHEMBL5988889 | — | kon | = | - | — | - |
| CHEMBL5988889 | — | IC50 | < | 10.0 | nM | - |
| CHEMBL6061205 | — | k_off | = | - | s-1 | - |
| CHEMBL6061205 | — | kon | = | - | — | - |
| CHEMBL6061205 | — | IC50 | < | 10.0 | nM | - |
| CHEMBL5940130 | — | k_off | = | - | s-1 | - |
| CHEMBL5940130 | — | kon | = | - | — | - |
| CHEMBL5940130 | — | IC50 | < | 10.0 | nM | - |
| CHEMBL5896989 | — | k_off | = | - | s-1 | - |
| CHEMBL3608520 | — | IC50 | < | 10.0 | nM | - |
| CHEMBL5896989 | — | kon | = | - | — | - |
| CHEMBL5878680 | — | kon | = | - | — | - |