Assay Detail
Binding
CHEMBL3635313
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Inhibition of Escherichia coli DHFR assessed as NADP formation
16
Total Activities
16
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Escherichia coli |
| Confidence | 9 — Direct single protein target |
| Curated By | Autocuration |
Publication
Ligand binding studies, preliminary structure-activity relationship and detailed mechanistic characterization of 1-phenyl-6,6-dimethyl-1,3,5-triazine-2,4-diamine derivatives as inhibitors of Escherichia coli dihydrofolate reductase.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 16 | 4.85 | 5.94 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL97313 | — | — | 1 | 5.94 |
| CHEMBL97567 | — | — | 1 | 5.74 |
| CHEMBL94742 | — | — | 1 | 5.12 |
| CHEMBL1617293 | — | — | 1 | 4.73 |
| CHEMBL268914 | — | — | 1 | 4.70 |
| CHEMBL747 | CYCLOGUANIL | 2.0 | 1 | 4.68 |
| CHEMBL548155 | — | — | 1 | 4.49 |
| CHEMBL316611 | — | — | 1 | 4.20 |
| CHEMBL266573 | — | — | 1 | 4.05 |
| CHEMBL97830 | — | — | 1 | - |
| CHEMBL589682 | — | — | 1 | - |
| CHEMBL333873 | — | — | 1 | - |
| CHEMBL1625056 | — | — | 1 | - |
| CHEMBL3634634 | — | — | 1 | - |
| CHEMBL1412044 | — | — | 1 | - |
| CHEMBL741 | LAMOTRIGINE | 4.0 | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL97313 | — | IC50 | = | 1150.0 | nM | 5.94 |
| CHEMBL97567 | — | IC50 | = | 1840.0 | nM | 5.74 |
| CHEMBL94742 | — | IC50 | = | 7590.0 | nM | 5.12 |
| CHEMBL1617293 | — | IC50 | = | 18450.0 | nM | 4.73 |
| CHEMBL268914 | — | IC50 | = | 20190.0 | nM | 4.70 |
| CHEMBL747 | CYCLOGUANIL | IC50 | = | 20910.0 | nM | 4.68 |
| CHEMBL548155 | — | IC50 | = | 32270.0 | nM | 4.49 |
| CHEMBL316611 | — | IC50 | = | 62830.0 | nM | 4.20 |
| CHEMBL266573 | — | IC50 | = | 89100.0 | nM | 4.05 |
| CHEMBL97830 | — | IC50 | - | — | - | |
| CHEMBL589682 | — | IC50 | - | — | - | |
| CHEMBL333873 | — | IC50 | = | 262700.0 | nM | - |
| CHEMBL1625056 | — | IC50 | = | 478400.0 | nM | - |
| CHEMBL3634634 | — | IC50 | = | 721600.0 | nM | - |
| CHEMBL1412044 | — | IC50 | = | 1548000.0 | nM | - |
| CHEMBL741 | LAMOTRIGINE | IC50 | = | 348900.0 | nM | - |