Assay Detail
Binding
CHEMBL5733449
Review assay metadata, readout intent, target linkage, and publication context from the same page.
In Vitro Assay: The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20 mM MgCl2, 0.015% Brij-35, 4 mM DTT, 5 μM ATP and 1.5 μM peptide substrate (FITC-AHA-AKRRRLSSLRA-OH). Compounds were dissolved in DMSO so that the final concentration of DMSO was <2%, and the reaction was initiated with Rho kinase variants. After incubation, the reaction was terminated by the addition of EDTA and the phosphorylated and non-phosphorylated peptides separated using a LABCHIP® 3000 Reader (Caliper Life Sciences). Controls consisted of assays that did not contain compound, and backgrounds consisted of assays that contained enzyme and substrate but had EDTA from the beginning of the reaction to inhibit kinase activity. Compounds were tested in dose-response format, and the inhibition of kinase activity was calculated at each concentration of compound. The inhibition data were fit using a curve-fitting program to determine the IC50; i.e., the concentration of compound required to inhibit 50% of kinase activity.
1260
Total Activities
400
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
Tricyclic pyrido-carboxamide derivatives as rock inhibitors
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 420 | 7.17 | 9.74 |
| kon | 420 | - | - |
| k_off | 420 | - | - |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL3578252 | — | — | 9 | 9.74 |
| CHEMBL5889196 | — | — | 3 | 9.47 |
| CHEMBL5835687 | — | — | 3 | 9.46 |
| CHEMBL3578250 | — | — | 3 | 9.29 |
| CHEMBL6002651 | — | — | 3 | 9.23 |
| CHEMBL4747999 | — | — | 3 | 9.22 |
| CHEMBL5833913 | — | — | 9 | 9.19 |
| CHEMBL4749267 | — | — | 3 | 9.14 |
| CHEMBL4749353 | — | — | 3 | 9.11 |
| CHEMBL4790421 | — | — | 3 | 9.10 |
| CHEMBL6001081 | — | — | 3 | 9.10 |
| CHEMBL5787170 | — | — | 3 | 9.09 |
| CHEMBL4758151 | — | — | 3 | 9.07 |
| CHEMBL6050745 | — | — | 3 | 9.07 |
| CHEMBL5845446 | — | — | 3 | 9.07 |
| CHEMBL5783790 | — | — | 3 | 9.07 |
| CHEMBL4763198 | — | — | 3 | 9.07 |
| CHEMBL5816802 | — | — | 3 | 9.07 |
| CHEMBL6053788 | — | — | 3 | 9.00 |
| CHEMBL5988874 | — | — | 3 | 8.98 |
| CHEMBL5745531 | — | — | 3 | 8.94 |
| CHEMBL6009427 | — | — | 6 | 8.94 |
| CHEMBL5934879 | — | — | 3 | 8.89 |
| CHEMBL5967168 | — | — | 3 | 8.89 |
| CHEMBL5841171 | — | — | 3 | 8.88 |
| CHEMBL4746567 | — | — | 3 | 8.87 |
| CHEMBL6016118 | — | — | 3 | 8.84 |
| CHEMBL6016243 | — | — | 3 | 8.82 |
| CHEMBL6030065 | — | — | 3 | 8.77 |
| CHEMBL5836442 | — | — | 6 | 8.77 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL3578252 | — | IC50 | = | 0.18 | nM | 9.74 |
| CHEMBL5889196 | — | IC50 | = | 0.34 | nM | 9.47 |
| CHEMBL5835687 | — | IC50 | = | 0.35 | nM | 9.46 |
| CHEMBL3578250 | — | IC50 | = | 0.51 | nM | 9.29 |
| CHEMBL3578252 | — | IC50 | = | 0.52 | nM | 9.28 |
| CHEMBL3578252 | — | IC50 | = | 0.56 | nM | 9.25 |
| CHEMBL6002651 | — | IC50 | = | 0.59 | nM | 9.23 |
| CHEMBL4747999 | — | IC50 | = | 0.6 | nM | 9.22 |
| CHEMBL5833913 | — | IC50 | = | 0.65 | nM | 9.19 |
| CHEMBL4749267 | — | IC50 | = | 0.72 | nM | 9.14 |
| CHEMBL4749353 | — | IC50 | = | 0.78 | nM | 9.11 |
| CHEMBL6001081 | — | IC50 | = | 0.79 | nM | 9.10 |
| CHEMBL4790421 | — | IC50 | = | 0.8 | nM | 9.10 |
| CHEMBL5787170 | — | IC50 | = | 0.81 | nM | 9.09 |
| CHEMBL4758151 | — | IC50 | = | 0.85 | nM | 9.07 |
| CHEMBL6050745 | — | IC50 | = | 0.85 | nM | 9.07 |
| CHEMBL5783790 | — | IC50 | = | 0.85 | nM | 9.07 |
| CHEMBL5845446 | — | IC50 | = | 0.85 | nM | 9.07 |
| CHEMBL4763198 | — | IC50 | = | 0.85 | nM | 9.07 |
| CHEMBL5816802 | — | IC50 | = | 0.85 | nM | 9.07 |
| CHEMBL6053788 | — | IC50 | = | 1.01 | nM | 9.00 |
| CHEMBL5988874 | — | IC50 | = | 1.05 | nM | 8.98 |
| CHEMBL6009427 | — | IC50 | = | 1.16 | nM | 8.94 |
| CHEMBL5745531 | — | IC50 | = | 1.14 | nM | 8.94 |
| CHEMBL5934879 | — | IC50 | = | 1.29 | nM | 8.89 |
| CHEMBL5967168 | — | IC50 | = | 1.29 | nM | 8.89 |
| CHEMBL5841171 | — | IC50 | = | 1.32 | nM | 8.88 |
| CHEMBL4746567 | — | IC50 | = | 1.34 | nM | 8.87 |
| CHEMBL6016118 | — | IC50 | = | 1.44 | nM | 8.84 |
| CHEMBL6016243 | — | IC50 | = | 1.5 | nM | 8.82 |
| CHEMBL5836442 | — | IC50 | = | 1.7 | nM | 8.77 |
| CHEMBL6030065 | — | IC50 | = | 1.7 | nM | 8.77 |
| CHEMBL5833913 | — | IC50 | = | 1.81 | nM | 8.74 |
| CHEMBL6018783 | — | IC50 | = | 1.82 | nM | 8.74 |
| CHEMBL5833913 | — | IC50 | = | 1.99 | nM | 8.70 |
| CHEMBL5803835 | — | IC50 | = | 2.24 | nM | 8.65 |
| CHEMBL6049219 | — | IC50 | = | 2.25 | nM | 8.65 |
| CHEMBL5916228 | — | IC50 | = | 2.32 | nM | 8.63 |
| CHEMBL4797403 | — | IC50 | = | 2.39 | nM | 8.62 |
| CHEMBL5750919 | — | IC50 | = | 2.54 | nM | 8.60 |
| CHEMBL5879473 | — | IC50 | = | 2.51 | nM | 8.60 |
| CHEMBL5778273 | — | IC50 | = | 2.54 | nM | 8.60 |
| CHEMBL5852906 | — | IC50 | = | 2.54 | nM | 8.60 |
| CHEMBL5971288 | — | IC50 | = | 2.58 | nM | 8.59 |
| CHEMBL5773766 | — | IC50 | = | 2.55 | nM | 8.59 |
| CHEMBL5906603 | — | IC50 | = | 2.71 | nM | 8.57 |
| CHEMBL5941610 | — | IC50 | = | 2.66 | nM | 8.57 |
| CHEMBL5965283 | — | IC50 | = | 2.78 | nM | 8.56 |
| CHEMBL5901022 | — | IC50 | = | 2.8 | nM | 8.55 |
| CHEMBL5741906 | — | IC50 | = | 2.87 | nM | 8.54 |