Assay Detail
Binding
CHEMBL5735113
Review assay metadata, readout intent, target linkage, and publication context from the same page.
Enzymatic Inhibition Assay: Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was determined with a coupled luciferase assay (Kinaseglo®). 2.1 nM TgCDPK1 and 20 μM BioSyntide-2 (American Peptide Company, Inc. Sunnyvale, Calif.)) were incubated in 25 μL of buffer containing 1 mM EGTA (pH 7.2), 10 mM MgCl2, 20 mM HEPES, pH 7.5 (KOH), 0.1% BSA, and 2 mM CaCl2. The reaction was initiated with the addition of ATP at a 10 μM final concentration. After incubating at 30° C. for 90 min., changes in ATP concentration were determined by adding Kinaseglo® luciferase reagent (Promega, Madison, Wis.) and measuring luminescence with a MicroBeta2 multi-label plate reader (Perkin Elmer, Waltham, Mass.). Results were converted to percent inhibition, and IC50 values were calculated using nonlinear regression analysis in GraphPad Prism.
348
Total Activities
115
Compounds Tested
3
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Confidence | 8 — Homologous single protein target |
| Curated By | Autocuration |
Target
Calmodulin-domain protein kinase 1 (CHEMBL1781862) ↗| Type | SINGLE PROTEIN |
| Organism | Toxoplasma gondii |
Publication
Compositions and methods for treating toxoplasmosis, cryptosporidiosis and other apicomplexan protozoan related diseases
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 116 | 8.13 | 9.15 |
| kon | 116 | - | - |
| k_off | 116 | - | - |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL5926676 | — | — | 3 | 9.15 |
| CHEMBL5853465 | — | — | 3 | 9.15 |
| CHEMBL4591429 | — | — | 3 | 9.10 |
| CHEMBL4553699 | — | — | 3 | 9.05 |
| CHEMBL4571877 | — | — | 3 | 9.00 |
| CHEMBL5775910 | — | — | 3 | 9.00 |
| CHEMBL4558168 | — | — | 3 | 8.92 |
| CHEMBL5868835 | — | — | 3 | 8.92 |
| CHEMBL4471923 | — | — | 3 | 8.89 |
| CHEMBL5741374 | — | — | 6 | 8.89 |
| CHEMBL5790974 | — | — | 3 | 8.85 |
| CHEMBL4543259 | — | — | 3 | 8.82 |
| CHEMBL6034726 | — | — | 3 | 8.82 |
| CHEMBL5740091 | — | — | 3 | 8.80 |
| CHEMBL5898440 | — | — | 3 | 8.77 |
| CHEMBL5997566 | — | — | 3 | 8.77 |
| CHEMBL4556402 | — | — | 3 | 8.74 |
| CHEMBL4476674 | — | — | 3 | 8.74 |
| CHEMBL5780132 | — | — | 3 | 8.72 |
| CHEMBL2078803 | — | — | 3 | 8.72 |
| CHEMBL4536241 | — | — | 3 | 8.70 |
| CHEMBL6018932 | — | — | 3 | 8.70 |
| CHEMBL5771077 | — | — | 3 | 8.70 |
| CHEMBL4439120 | — | — | 3 | 8.68 |
| CHEMBL4450160 | — | — | 3 | 8.66 |
| CHEMBL2079171 | — | — | 3 | 8.66 |
| CHEMBL5950316 | — | — | 3 | 8.64 |
| CHEMBL4572244 | — | — | 3 | 8.62 |
| CHEMBL4444685 | — | — | 3 | 8.60 |
| CHEMBL5775151 | — | — | 3 | 8.60 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL5853465 | — | IC50 | = | 0.7 | nM | 9.15 |
| CHEMBL5926676 | — | IC50 | = | 0.7 | nM | 9.15 |
| CHEMBL4591429 | — | IC50 | = | 0.8 | nM | 9.10 |
| CHEMBL4553699 | — | IC50 | = | 0.9 | nM | 9.05 |
| CHEMBL5775910 | — | IC50 | = | 1.0 | nM | 9.00 |
| CHEMBL4571877 | — | IC50 | = | 1.0 | nM | 9.00 |
| CHEMBL5868835 | — | IC50 | = | 1.2 | nM | 8.92 |
| CHEMBL4558168 | — | IC50 | = | 1.2 | nM | 8.92 |
| CHEMBL5741374 | — | IC50 | = | 1.3 | nM | 8.89 |
| CHEMBL4471923 | — | IC50 | = | 1.3 | nM | 8.89 |
| CHEMBL5790974 | — | IC50 | = | 1.4 | nM | 8.85 |
| CHEMBL6034726 | — | IC50 | = | 1.5 | nM | 8.82 |
| CHEMBL4543259 | — | IC50 | = | 1.5 | nM | 8.82 |
| CHEMBL5740091 | — | IC50 | = | 1.6 | nM | 8.80 |
| CHEMBL5898440 | — | IC50 | = | 1.7 | nM | 8.77 |
| CHEMBL5997566 | — | IC50 | = | 1.7 | nM | 8.77 |
| CHEMBL4476674 | — | IC50 | = | 1.8 | nM | 8.74 |
| CHEMBL4556402 | — | IC50 | = | 1.8 | nM | 8.74 |
| CHEMBL5780132 | — | IC50 | = | 1.9 | nM | 8.72 |
| CHEMBL2078803 | — | IC50 | = | 1.9 | nM | 8.72 |
| CHEMBL6018932 | — | IC50 | = | 2.0 | nM | 8.70 |
| CHEMBL4536241 | — | IC50 | = | 2.0 | nM | 8.70 |
| CHEMBL5771077 | — | IC50 | = | 2.0 | nM | 8.70 |
| CHEMBL4439120 | — | IC50 | = | 2.1 | nM | 8.68 |
| CHEMBL4450160 | — | IC50 | = | 2.2 | nM | 8.66 |
| CHEMBL2079171 | — | IC50 | = | 2.2 | nM | 8.66 |
| CHEMBL5950316 | — | IC50 | = | 2.3 | nM | 8.64 |
| CHEMBL4572244 | — | IC50 | = | 2.4 | nM | 8.62 |
| CHEMBL4444685 | — | IC50 | = | 2.5 | nM | 8.60 |
| CHEMBL5775151 | — | IC50 | = | 2.5 | nM | 8.60 |
| CHEMBL5945129 | — | IC50 | = | 2.6 | nM | 8.59 |
| CHEMBL5977926 | — | IC50 | = | 2.6 | nM | 8.59 |
| CHEMBL2079234 | — | IC50 | = | 2.7 | nM | 8.57 |
| CHEMBL5830973 | — | IC50 | = | 2.7 | nM | 8.57 |
| CHEMBL5853615 | — | IC50 | = | 2.8 | nM | 8.55 |
| CHEMBL5946141 | — | IC50 | = | 2.9 | nM | 8.54 |
| CHEMBL5886024 | — | IC50 | = | 2.9 | nM | 8.54 |
| CHEMBL5840919 | — | IC50 | = | 2.9 | nM | 8.54 |
| CHEMBL5747619 | — | IC50 | = | 3.0 | nM | 8.52 |
| CHEMBL5834895 | — | IC50 | = | 3.0 | nM | 8.52 |
| CHEMBL2078797 | — | IC50 | = | 3.0 | nM | 8.52 |
| CHEMBL5810476 | — | IC50 | = | 3.2 | nM | 8.49 |
| CHEMBL4445333 | — | IC50 | = | 3.3 | nM | 8.48 |
| CHEMBL2078804 | — | IC50 | = | 3.4 | nM | 8.47 |
| CHEMBL5885905 | — | IC50 | = | 3.5 | nM | 8.46 |
| CHEMBL5850638 | — | IC50 | = | 3.6 | nM | 8.44 |
| CHEMBL5891795 | — | IC50 | = | 3.8 | nM | 8.42 |
| CHEMBL5835554 | — | IC50 | = | 3.8 | nM | 8.42 |
| CHEMBL5843251 | — | IC50 | = | 4.0 | nM | 8.40 |
| CHEMBL4572930 | — | IC50 | = | 4.0 | nM | 8.40 |