Assay Detail
Binding
CHEMBL4478712
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Inhibition of TMP/methicillin-resistant Staphylococcus aureus recombinant DHFR H30N 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 | 8.15 | 8.48 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL3828581 | — | — | 1 | 8.48 |
| CHEMBL3828771 | — | — | 1 | 8.47 |
| CHEMBL3828485 | — | — | 1 | 8.45 |
| CHEMBL3828772 | — | — | 1 | 8.43 |
| CHEMBL3827532 | — | — | 1 | 8.41 |
| CHEMBL4581145 | — | — | 1 | 8.34 |
| CHEMBL3527091 | — | — | 1 | 8.23 |
| CHEMBL22 | TRIMETHOPRIM | 4.0 | 1 | 8.16 |
| CHEMBL4483336 | — | — | 1 | 8.05 |
| CHEMBL2335419 | — | — | 1 | 7.89 |
| CHEMBL4588910 | — | — | 1 | 7.78 |
| CHEMBL4483572 | — | — | 1 | 7.78 |
| CHEMBL4532935 | — | — | 1 | 7.48 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL3828581 | — | Ki | = | 3.34 | nM | 8.48 |
| CHEMBL3828771 | — | Ki | = | 3.36 | nM | 8.47 |
| CHEMBL3828485 | — | Ki | = | 3.54 | nM | 8.45 |
| CHEMBL3828772 | — | Ki | = | 3.74 | nM | 8.43 |
| CHEMBL3827532 | — | Ki | = | 3.89 | nM | 8.41 |
| CHEMBL4581145 | — | Ki | = | 4.54 | nM | 8.34 |
| CHEMBL3527091 | — | Ki | = | 5.9 | nM | 8.23 |
| CHEMBL22 | TRIMETHOPRIM | Ki | = | 6.89 | nM | 8.16 |
| CHEMBL4483336 | — | Ki | = | 8.85 | nM | 8.05 |
| CHEMBL2335419 | — | Ki | = | 12.98 | nM | 7.89 |
| CHEMBL4588910 | — | Ki | = | 16.53 | nM | 7.78 |
| CHEMBL4483572 | — | Ki | = | 16.72 | nM | 7.78 |
| CHEMBL4532935 | — | Ki | = | 33.25 | nM | 7.48 |