Assay Detail
Binding
CHEMBL3889185
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.
316
Total Activities
285
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Homo sapiens |
| Confidence | 8 — Homologous single protein target |
| Curated By | Autocuration |
Publication
Phenylpyrazole derivatives as potent ROCK1 and ROCK2 inhibitors
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 316 | 7.37 | 9.70 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL4107027 | — | — | 1 | 9.70 |
| CHEMBL3902471 | — | — | 1 | 9.59 |
| CHEMBL3961538 | — | — | 1 | 9.41 |
| CHEMBL3949136 | — | — | 1 | 9.37 |
| CHEMBL4114628 | — | — | 1 | 9.11 |
| CHEMBL3986802 | — | — | 1 | 9.07 |
| CHEMBL3964418 | — | — | 1 | 8.98 |
| CHEMBL3913336 | — | — | 1 | 8.96 |
| CHEMBL3925017 | — | — | 1 | 8.91 |
| CHEMBL3901295 | — | — | 3 | 8.81 |
| CHEMBL3957651 | — | — | 1 | 8.81 |
| CHEMBL3910152 | — | — | 1 | 8.75 |
| CHEMBL4115244 | — | — | 1 | 8.67 |
| CHEMBL4113669 | — | — | 1 | 8.65 |
| CHEMBL4107997 | — | — | 1 | 8.65 |
| CHEMBL3956238 | — | — | 1 | 8.62 |
| CHEMBL3947008 | — | — | 1 | 8.61 |
| CHEMBL4107343 | — | — | 1 | 8.61 |
| CHEMBL3928809 | — | — | 1 | 8.58 |
| CHEMBL3958305 | — | — | 1 | 8.52 |
| CHEMBL3965274 | — | — | 3 | 8.51 |
| CHEMBL3920062 | — | — | 1 | 8.50 |
| CHEMBL3904054 | — | — | 1 | 8.49 |
| CHEMBL3961024 | — | — | 1 | 8.49 |
| CHEMBL3969934 | — | — | 1 | 8.47 |
| CHEMBL3898965 | — | — | 2 | 8.47 |
| CHEMBL3977577 | — | — | 1 | 8.47 |
| CHEMBL4107839 | — | — | 1 | 8.47 |
| CHEMBL3939581 | — | — | 1 | 8.38 |
| CHEMBL3960736 | — | — | 1 | 8.37 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL4107027 | — | IC50 | = | 0.2 | nM | 9.70 |
| CHEMBL3902471 | — | IC50 | = | 0.26 | nM | 9.59 |
| CHEMBL3961538 | — | IC50 | = | 0.39 | nM | 9.41 |
| CHEMBL3949136 | — | IC50 | = | 0.43 | nM | 9.37 |
| CHEMBL4114628 | — | IC50 | = | 0.77 | nM | 9.11 |
| CHEMBL3986802 | — | IC50 | = | 0.85 | nM | 9.07 |
| CHEMBL3964418 | — | IC50 | = | 1.04 | nM | 8.98 |
| CHEMBL3913336 | — | IC50 | = | 1.11 | nM | 8.96 |
| CHEMBL3925017 | — | IC50 | = | 1.24 | nM | 8.91 |
| CHEMBL3901295 | — | IC50 | = | 1.53 | nM | 8.81 |
| CHEMBL3957651 | — | IC50 | = | 1.54 | nM | 8.81 |
| CHEMBL3910152 | — | IC50 | = | 1.79 | nM | 8.75 |
| CHEMBL4115244 | — | IC50 | = | 2.15 | nM | 8.67 |
| CHEMBL4113669 | — | IC50 | = | 2.22 | nM | 8.65 |
| CHEMBL4107997 | — | IC50 | = | 2.26 | nM | 8.65 |
| CHEMBL3956238 | — | IC50 | = | 2.39 | nM | 8.62 |
| CHEMBL3947008 | — | IC50 | = | 2.44 | nM | 8.61 |
| CHEMBL4107343 | — | IC50 | = | 2.46 | nM | 8.61 |
| CHEMBL3928809 | — | IC50 | = | 2.63 | nM | 8.58 |
| CHEMBL3958305 | — | IC50 | = | 3.05 | nM | 8.52 |
| CHEMBL3965274 | — | IC50 | = | 3.1 | nM | 8.51 |
| CHEMBL3920062 | — | IC50 | = | 3.16 | nM | 8.50 |
| CHEMBL3965274 | — | IC50 | = | 3.17 | nM | 8.50 |
| CHEMBL3904054 | — | IC50 | = | 3.26 | nM | 8.49 |
| CHEMBL3961024 | — | IC50 | = | 3.24 | nM | 8.49 |
| CHEMBL3898965 | — | IC50 | = | 3.36 | nM | 8.47 |
| CHEMBL4107839 | — | IC50 | = | 3.38 | nM | 8.47 |
| CHEMBL3969934 | — | IC50 | = | 3.37 | nM | 8.47 |
| CHEMBL3977577 | — | IC50 | = | 3.38 | nM | 8.47 |
| CHEMBL3939581 | — | IC50 | = | 4.22 | nM | 8.38 |
| CHEMBL3960736 | — | IC50 | = | 4.27 | nM | 8.37 |
| CHEMBL3939886 | — | IC50 | = | 4.25 | nM | 8.37 |
| CHEMBL4110459 | — | IC50 | = | 4.62 | nM | 8.34 |
| CHEMBL3956875 | — | IC50 | = | 4.6 | nM | 8.34 |
| CHEMBL3901295 | — | IC50 | = | 4.7 | nM | 8.33 |
| CHEMBL3907133 | — | IC50 | = | 5.35 | nM | 8.27 |
| CHEMBL3946084 | — | IC50 | = | 5.5 | nM | 8.26 |
| CHEMBL3915532 | — | IC50 | = | 5.77 | nM | 8.24 |
| CHEMBL3936323 | — | IC50 | = | 5.91 | nM | 8.23 |
| CHEMBL4111518 | — | IC50 | = | 5.98 | nM | 8.22 |
| CHEMBL4109081 | — | IC50 | = | 6.45 | nM | 8.19 |
| CHEMBL3955270 | — | IC50 | = | 6.39 | nM | 8.19 |
| CHEMBL3928198 | — | IC50 | = | 6.53 | nM | 8.19 |
| CHEMBL3951271 | — | IC50 | = | 6.69 | nM | 8.18 |
| CHEMBL4107374 | — | IC50 | = | 6.62 | nM | 8.18 |
| CHEMBL3969951 | — | IC50 | = | 6.68 | nM | 8.18 |
| CHEMBL4108559 | — | IC50 | = | 6.55 | nM | 8.18 |
| CHEMBL4114533 | — | IC50 | = | 7.09 | nM | 8.15 |
| CHEMBL4112558 | — | IC50 | = | 7.0 | nM | 8.15 |
| CHEMBL3947211 | — | IC50 | = | 7.22 | nM | 8.14 |