Assay Detail
Binding
CHEMBL5229239
Review assay metadata, readout intent, target linkage, and publication context from the same page.
Inhibition of Mycobacterium tuberculosis recombinant PknB (1 to 331 residues) expressed in Escherichia coli BL21-Rosetta cells using GarA and ATP as substrate preincubated with enzyme for 10 mins followed by substrate addition and measured after 1 hr by ATP-competitive biochemical assay
36
Total Activities
18
Compounds Tested
2
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Mycobacterium tuberculosis |
| Confidence | 9 — Direct single protein target |
| Curated By | Autocuration |
Target
Serine/threonine-protein kinase PknB (CHEMBL1908385) ↗| Type | SINGLE PROTEIN |
| Organism | Mycobacterium tuberculosis |
Publication
Engineering Selectivity for Reduced Toxicity of Bacterial Kinase Inhibitors Using Structure-Guided Medicinal Chemistry.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Ki | 18 | 6.02 | 6.54 |
| IC50 | 18 | 5.47 | 5.96 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL5283441 | — | — | 2 | 6.54 |
| CHEMBL5282194 | — | — | 2 | 6.50 |
| CHEMBL468963 | GW779439X | — | 2 | 6.38 |
| CHEMBL5282708 | — | — | 2 | 6.36 |
| CHEMBL5266831 | — | — | 2 | 6.33 |
| CHEMBL5316225 | — | — | 2 | 6.24 |
| CHEMBL5280226 | — | — | 2 | 6.16 |
| CHEMBL5277580 | — | — | 2 | 6.01 |
| CHEMBL5273566 | — | — | 2 | 5.96 |
| CHEMBL5283041 | — | — | 2 | 5.92 |
| CHEMBL5283475 | — | — | 2 | 5.89 |
| CHEMBL5277737 | — | — | 2 | 5.82 |
| CHEMBL5285809 | — | — | 2 | 5.75 |
| CHEMBL5277619 | — | — | 2 | 5.72 |
| CHEMBL5284844 | — | — | 2 | 5.64 |
| CHEMBL5286085 | — | — | 2 | 5.62 |
| CHEMBL5266857 | — | — | 2 | 5.57 |
| CHEMBL5280561 | — | — | 2 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL5283441 | — | Ki | = | 290.0 | nM | 6.54 |
| CHEMBL5282194 | — | Ki | = | 320.0 | nM | 6.50 |
| CHEMBL468963 | GW779439X | Ki | = | 420.0 | nM | 6.38 |
| CHEMBL5282708 | — | Ki | = | 440.0 | nM | 6.36 |
| CHEMBL5266831 | — | Ki | = | 470.0 | nM | 6.33 |
| CHEMBL5316225 | — | Ki | = | 580.0 | nM | 6.24 |
| CHEMBL5280226 | — | Ki | = | 700.0 | nM | 6.16 |
| CHEMBL5277580 | — | Ki | = | 970.0 | nM | 6.01 |
| CHEMBL5283441 | — | IC50 | = | 1100.0 | nM | 5.96 |
| CHEMBL5273566 | — | Ki | = | 1100.0 | nM | 5.96 |
| CHEMBL5282194 | — | IC50 | = | 1200.0 | nM | 5.92 |
| CHEMBL5283041 | — | Ki | = | 1200.0 | nM | 5.92 |
| CHEMBL5283475 | — | Ki | = | 1300.0 | nM | 5.89 |
| CHEMBL468963 | GW779439X | IC50 | = | 1500.0 | nM | 5.82 |
| CHEMBL5277737 | — | Ki | = | 1500.0 | nM | 5.82 |
| CHEMBL5282708 | — | IC50 | = | 1600.0 | nM | 5.80 |
| CHEMBL5266831 | — | IC50 | = | 1700.0 | nM | 5.77 |
| CHEMBL5285809 | — | Ki | = | 1800.0 | nM | 5.75 |
| CHEMBL5277619 | — | Ki | = | 1900.0 | nM | 5.72 |
| CHEMBL5316225 | — | IC50 | = | 2100.0 | nM | 5.68 |
| CHEMBL5284844 | — | Ki | = | 2300.0 | nM | 5.64 |
| CHEMBL5286085 | — | Ki | = | 2400.0 | nM | 5.62 |
| CHEMBL5280226 | — | IC50 | = | 2500.0 | nM | 5.60 |
| CHEMBL5266857 | — | Ki | = | 2700.0 | nM | 5.57 |
| CHEMBL5277580 | — | IC50 | = | 3400.0 | nM | 5.47 |
| CHEMBL5273566 | — | IC50 | = | 3800.0 | nM | 5.42 |
| CHEMBL5283041 | — | IC50 | = | 4300.0 | nM | 5.37 |
| CHEMBL5283475 | — | IC50 | = | 4600.0 | nM | 5.34 |
| CHEMBL5277737 | — | IC50 | = | 5100.0 | nM | 5.29 |
| CHEMBL5285809 | — | IC50 | = | 6100.0 | nM | 5.21 |
| CHEMBL5277619 | — | IC50 | = | 6600.0 | nM | 5.18 |
| CHEMBL5284844 | — | IC50 | = | 7900.0 | nM | 5.10 |
| CHEMBL5286085 | — | IC50 | = | 8100.0 | nM | 5.09 |
| CHEMBL5266857 | — | IC50 | = | 9400.0 | nM | 5.03 |
| CHEMBL5280561 | — | IC50 | > | 40000.0 | nM | - |
| CHEMBL5280561 | — | Ki | > | 12000.0 | nM | - |