Assay Detail
Binding
CHEMBL4478715
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Inhibition of TMP/methicillin-resistant Staphylococcus aureus recombinant DHFR F98Y/H149R double mutant expressed in Escherichia coli BL21 (DE3) cells assessed as oxidation of NADPH pre-incubated for 5 mins followed by dihydrofolate substrate addition
13
Total Activities
13
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Staphylococcus aureus |
| Confidence | 9 — Direct single protein target |
| Curated By | Autocuration |
Publication
Charged Propargyl-Linked Antifolates Reveal Mechanisms of Antifolate Resistance and Inhibit Trimethoprim-Resistant MRSA Strains Possessing Clinically Relevant Mutations.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Ki | 13 | 6.47 | 7.25 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL3828581 | — | — | 1 | 7.25 |
| CHEMBL3828485 | — | — | 1 | 7.16 |
| CHEMBL4581145 | — | — | 1 | 6.97 |
| CHEMBL3827532 | — | — | 1 | 6.85 |
| CHEMBL3828771 | — | — | 1 | 6.73 |
| CHEMBL4483336 | — | — | 1 | 6.54 |
| CHEMBL3828772 | — | — | 1 | 6.53 |
| CHEMBL4588910 | — | — | 1 | 6.37 |
| CHEMBL4532935 | — | — | 1 | 6.11 |
| CHEMBL3527091 | — | — | 1 | 6.06 |
| CHEMBL4483572 | — | — | 1 | 6.05 |
| CHEMBL22 | TRIMETHOPRIM | 4.0 | 1 | 5.76 |
| CHEMBL2335419 | — | — | 1 | 5.69 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL3828581 | — | Ki | = | 55.77 | nM | 7.25 |
| CHEMBL3828485 | — | Ki | = | 69.41 | nM | 7.16 |
| CHEMBL4581145 | — | Ki | = | 107.1 | nM | 6.97 |
| CHEMBL3827532 | — | Ki | = | 142.2 | nM | 6.85 |
| CHEMBL3828771 | — | Ki | = | 184.4 | nM | 6.73 |
| CHEMBL4483336 | — | Ki | = | 289.1 | nM | 6.54 |
| CHEMBL3828772 | — | Ki | = | 295.3 | nM | 6.53 |
| CHEMBL4588910 | — | Ki | = | 422.3 | nM | 6.37 |
| CHEMBL4532935 | — | Ki | = | 779.3 | nM | 6.11 |
| CHEMBL3527091 | — | Ki | = | 878.5 | nM | 6.06 |
| CHEMBL4483572 | — | Ki | = | 894.5 | nM | 6.05 |
| CHEMBL22 | TRIMETHOPRIM | Ki | = | 1729.0 | nM | 5.76 |
| CHEMBL2335419 | — | Ki | = | 2059.0 | nM | 5.69 |