Assay Detail
Binding
CHEMBL664859
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Binding affinity against Dihydrofolate reductase of Escherichia coli
18
Total Activities
18
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Escherichia coli |
| Confidence | 9 — Direct single protein target |
| Curated By | Intermediate |
Publication
Receptor-based design of dihydrofolate reductase inhibitors: comparison of crystallographically determined enzyme binding with enzyme affinity in a series of carboxy-substituted trimethoprim analogues.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Ki | 18 | 9.16 | 10.68 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL34259 | METHOTREXATE | 4.0 | 1 | 10.68 |
| CHEMBL14001 | — | — | 1 | 10.62 |
| CHEMBL418347 | — | — | 1 | 10.46 |
| CHEMBL274430 | — | — | 1 | 10.30 |
| CHEMBL13673 | — | — | 1 | 10.18 |
| CHEMBL13820 | — | — | 1 | 9.43 |
| CHEMBL14002 | — | — | 1 | 9.33 |
| CHEMBL13877 | — | — | 1 | 9.12 |
| CHEMBL22 | TRIMETHOPRIM | 4.0 | 1 | 8.89 |
| CHEMBL13908 | — | — | 1 | 8.72 |
| CHEMBL321942 | — | — | 1 | 8.66 |
| CHEMBL104369 | — | — | 1 | 8.64 |
| CHEMBL14201 | — | — | 1 | 8.59 |
| CHEMBL322001 | — | — | 1 | 8.57 |
| CHEMBL105006 | — | — | 1 | 8.51 |
| CHEMBL105283 | — | — | 1 | 8.39 |
| CHEMBL318078 | — | — | 1 | 8.01 |
| CHEMBL104675 | — | — | 1 | 7.80 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL34259 | METHOTREXATE | Ki | = | 0.021 | nM | 10.68 |
| CHEMBL14001 | — | Ki | = | 0.024 | nM | 10.62 |
| CHEMBL418347 | — | Ki | = | 0.035 | nM | 10.46 |
| CHEMBL274430 | — | Ki | = | 0.05 | nM | 10.30 |
| CHEMBL13673 | — | Ki | = | 0.066 | nM | 10.18 |
| CHEMBL13820 | — | Ki | = | 0.37 | nM | 9.43 |
| CHEMBL14002 | — | Ki | = | 0.47 | nM | 9.33 |
| CHEMBL13877 | — | Ki | = | 0.76 | nM | 9.12 |
| CHEMBL22 | TRIMETHOPRIM | Ki | = | 1.3 | nM | 8.89 |
| CHEMBL13908 | — | Ki | = | 1.9 | nM | 8.72 |
| CHEMBL321942 | — | Ki | = | 2.2 | nM | 8.66 |
| CHEMBL104369 | — | Ki | = | 2.3 | nM | 8.64 |
| CHEMBL14201 | — | Ki | = | 2.6 | nM | 8.59 |
| CHEMBL322001 | — | Ki | = | 2.7 | nM | 8.57 |
| CHEMBL105006 | — | Ki | = | 3.1 | nM | 8.51 |
| CHEMBL105283 | — | Ki | = | 4.1 | nM | 8.39 |
| CHEMBL318078 | — | Ki | = | 9.8 | nM | 8.01 |
| CHEMBL104675 | — | Ki | = | 16.0 | nM | 7.80 |