Assay Detail
Binding
CHEMBL668436
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Inhibitory activity against Dihydrofolate reductase from recombinant human (hDHFR)
20
Total Activities
20
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Confidence | 8 — Homologous single protein target |
| Curated By | Expert |
Publication
Structure-based design and synthesis of lipophilic 2,4-diamino-6-substituted quinazolines and their evaluation as inhibitors of dihydrofolate reductases and potential antitumor agents.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 20 | 5.75 | 7.96 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL113816 | — | — | 1 | 7.96 |
| CHEMBL325434 | — | — | 1 | 7.58 |
| CHEMBL114354 | — | — | 1 | 7.57 |
| CHEMBL115804 | — | — | 1 | 7.30 |
| CHEMBL22 | TRIMETHOPRIM | 4.0 | 1 | 7.27 |
| CHEMBL117750 | — | — | 1 | 6.85 |
| CHEMBL114839 | — | — | 1 | 6.22 |
| CHEMBL114833 | — | — | 1 | 5.85 |
| CHEMBL115474 | — | — | 1 | 5.62 |
| CHEMBL36245 | — | — | 1 | 5.54 |
| CHEMBL32113 | — | — | 1 | 5.07 |
| CHEMBL32708 | — | — | 1 | 4.89 |
| CHEMBL113999 | — | — | 1 | 4.64 |
| CHEMBL114058 | — | — | 1 | 4.60 |
| CHEMBL116200 | — | — | 1 | 4.58 |
| CHEMBL116637 | — | — | 1 | 4.57 |
| CHEMBL116815 | — | — | 1 | 4.55 |
| CHEMBL116816 | — | — | 1 | 4.55 |
| CHEMBL33208 | — | — | 1 | 4.12 |
| CHEMBL119 | TRIMETREXATE | 4.0 | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL113816 | — | IC50 | = | 11.0 | nM | 7.96 |
| CHEMBL325434 | — | IC50 | = | 26.0 | nM | 7.58 |
| CHEMBL114354 | — | IC50 | = | 27.0 | nM | 7.57 |
| CHEMBL115804 | — | IC50 | = | 50.0 | nM | 7.30 |
| CHEMBL22 | TRIMETHOPRIM | IC50 | = | 54.0 | nM | 7.27 |
| CHEMBL117750 | — | IC50 | = | 140.0 | nM | 6.85 |
| CHEMBL114839 | — | IC50 | = | 600.0 | nM | 6.22 |
| CHEMBL114833 | — | IC50 | = | 1400.0 | nM | 5.85 |
| CHEMBL115474 | — | IC50 | = | 2400.0 | nM | 5.62 |
| CHEMBL36245 | — | IC50 | = | 2900.0 | nM | 5.54 |
| CHEMBL32113 | — | IC50 | = | 8500.0 | nM | 5.07 |
| CHEMBL32708 | — | IC50 | = | 13000.0 | nM | 4.89 |
| CHEMBL113999 | — | IC50 | = | 23000.0 | nM | 4.64 |
| CHEMBL114058 | — | IC50 | = | 25000.0 | nM | 4.60 |
| CHEMBL116200 | — | IC50 | = | 26000.0 | nM | 4.58 |
| CHEMBL116637 | — | IC50 | = | 27000.0 | nM | 4.57 |
| CHEMBL116815 | — | IC50 | = | 28000.0 | nM | 4.55 |
| CHEMBL116816 | — | IC50 | = | 28000.0 | nM | 4.55 |
| CHEMBL33208 | — | IC50 | = | 76000.0 | nM | 4.12 |
| CHEMBL119 | TRIMETREXATE | IC50 | = | 340000.0 | nM | - |