Assay Detail
Binding
CHEMBL5731468
Review assay metadata, readout intent, target linkage, and publication context from the same page.
In Vitro Affinity Assay: The in vitro affinity of the compounds of the present invention for the CXCR1 and CXCR2 receptors was determined on a functional test of the β-arrestin recruitment after receptor activation type.It was demonstrated that the activation by CXCL8 of the CXCR2 receptor in cells of the PathHunter HEK293-CXCR2 line or of the CXCR1 receptor in cells of the U2OS h CXCR1 β-arrestin line results in the recruitment of β-arrestin (Richardson, R. M., R. J. Marjoram, L. S. Barak, R. Snyderman. 2003. Role of the cytoplasmic tails of CXCR1 and CXCR2 in mediating leukocyte migration, activation, and regulation. J. Immunol. 170: 2904-2911).In order to evaluate the direct interaction of the CXCR2 or CXCR1 receptor with β-arrestin 2, a β-arrestin 2 recruitment test for CXCR2 or CXCR1 based on β-galactosidase enzyme complementation (Olson K R, Eglen R M. Beta galactosidase complementation: a cell-based luminescent assay platform for drug discovery. Assay Drug Dev Technol. 2007 February; 5(1); 137-44), as established by DiscoveRx Corporation was used. The stimulation of these two cell lines with CXCL8 (10 nM) induces β-arrestin 2 recruitment, as indicated by a significant increase in the induction factor. All the CXCR2 antagonists were tested in a dose-dependent manner and the concentration corresponding to 50% inhibition of the response was determined (IC50=half inhibition concentration).
111
Total Activities
20
Compounds Tested
3
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Confidence | 8 — Homologous single protein target |
| Curated By | Autocuration |
Publication
Disubstituted 3,4-diamino-3-cyclobutene-1,2-dione compounds for use in the treatment of chemokine-mediated diseases
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 37 | 6.12 | 7.70 |
| kon | 37 | - | - |
| k_off | 37 | - | - |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL6049426 | — | — | 6 | 7.70 |
| CHEMBL3952996 | — | — | 3 | 7.52 |
| CHEMBL3909470 | — | — | 3 | 7.44 |
| CHEMBL3904195 | — | — | 3 | 7.38 |
| CHEMBL3901913 | — | — | 12 | 7.37 |
| CHEMBL3951994 | — | — | 18 | 7.11 |
| CHEMBL5868116 | — | — | 6 | 7.07 |
| CHEMBL5941559 | — | — | 6 | 7.05 |
| CHEMBL3956601 | — | — | 3 | 6.95 |
| CHEMBL5979255 | — | — | 12 | 6.61 |
| CHEMBL5920779 | — | — | 3 | 6.42 |
| CHEMBL3934321 | — | — | 3 | 6.32 |
| CHEMBL5855681 | — | — | 9 | 6.26 |
| CHEMBL3947915 | — | — | 3 | 6.19 |
| CHEMBL3906175 | — | — | 3 | 6.15 |
| CHEMBL3980279 | — | — | 3 | 5.94 |
| CHEMBL4106677 | — | — | 3 | 5.88 |
| CHEMBL3976863 | — | — | 3 | 5.72 |
| CHEMBL3963336 | — | — | 3 | 5.42 |
| CHEMBL3956663 | — | — | 6 | 5.00 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL6049426 | — | IC50 | = | 20.0 | nM | 7.70 |
| CHEMBL3952996 | — | IC50 | = | 30.0 | nM | 7.52 |
| CHEMBL3909470 | — | IC50 | = | 36.0 | nM | 7.44 |
| CHEMBL3904195 | — | IC50 | = | 42.0 | nM | 7.38 |
| CHEMBL3901913 | — | IC50 | = | 43.0 | nM | 7.37 |
| CHEMBL3951994 | — | IC50 | = | 77.0 | nM | 7.11 |
| CHEMBL5868116 | — | IC50 | = | 85.0 | nM | 7.07 |
| CHEMBL5941559 | — | IC50 | = | 89.0 | nM | 7.05 |
| CHEMBL3901913 | — | IC50 | = | 108.0 | nM | 6.97 |
| CHEMBL3956601 | — | IC50 | = | 113.0 | nM | 6.95 |
| CHEMBL3901913 | — | IC50 | = | 171.0 | nM | 6.77 |
| CHEMBL5979255 | — | IC50 | = | 244.0 | nM | 6.61 |
| CHEMBL5920779 | — | IC50 | = | 384.0 | nM | 6.42 |
| CHEMBL3934321 | — | IC50 | = | 483.0 | nM | 6.32 |
| CHEMBL5868116 | — | IC50 | = | 508.0 | nM | 6.29 |
| CHEMBL5855681 | — | IC50 | = | 552.0 | nM | 6.26 |
| CHEMBL5941559 | — | IC50 | = | 580.0 | nM | 6.24 |
| CHEMBL3947915 | — | IC50 | = | 652.0 | nM | 6.19 |
| CHEMBL3906175 | — | IC50 | = | 711.0 | nM | 6.15 |
| CHEMBL3901913 | — | IC50 | = | 859.0 | nM | 6.07 |
| CHEMBL6049426 | — | IC50 | = | 1096.0 | nM | 5.96 |
| CHEMBL3980279 | — | IC50 | = | 1148.0 | nM | 5.94 |
| CHEMBL4106677 | — | IC50 | = | 1322.0 | nM | 5.88 |
| CHEMBL3976863 | — | IC50 | = | 1892.0 | nM | 5.72 |
| CHEMBL3963336 | — | IC50 | = | 3808.0 | nM | 5.42 |
| CHEMBL3951994 | — | IC50 | = | 4554.0 | nM | 5.34 |
| CHEMBL3951994 | — | IC50 | = | 4554.0 | nM | 5.34 |
| CHEMBL3951994 | — | IC50 | = | 4554.0 | nM | 5.34 |
| CHEMBL3951994 | — | IC50 | = | 4554.0 | nM | 5.34 |
| CHEMBL3951994 | — | IC50 | = | 4554.0 | nM | 5.34 |
| CHEMBL5855681 | — | IC50 | = | 8907.0 | nM | 5.05 |
| CHEMBL5855681 | — | IC50 | = | 8907.0 | nM | 5.05 |
| CHEMBL5979255 | — | IC50 | = | 9999.0 | nM | 5.00 |
| CHEMBL5979255 | — | IC50 | = | 9999.0 | nM | 5.00 |
| CHEMBL3956663 | — | IC50 | = | 9999.0 | nM | 5.00 |
| CHEMBL5979255 | — | IC50 | = | 9999.0 | nM | 5.00 |
| CHEMBL3956663 | — | IC50 | = | 9999.0 | nM | 5.00 |
| CHEMBL3956601 | — | kon | = | - | — | - |
| CHEMBL4106677 | — | kon | = | - | — | - |
| CHEMBL3956601 | — | k_off | = | - | s-1 | - |
| CHEMBL3952996 | — | kon | = | - | — | - |
| CHEMBL6049426 | — | k_off | = | - | s-1 | - |
| CHEMBL3952996 | — | k_off | = | - | s-1 | - |
| CHEMBL6049426 | — | kon | = | - | — | - |
| CHEMBL4106677 | — | k_off | = | - | s-1 | - |
| CHEMBL3901913 | — | k_off | = | - | s-1 | - |
| CHEMBL3901913 | — | kon | = | - | — | - |
| CHEMBL3934321 | — | kon | = | - | — | - |
| CHEMBL3904195 | — | kon | = | - | — | - |
| CHEMBL3904195 | — | k_off | = | - | s-1 | - |