Assay Detail
Binding
CHEMBL815670
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Concentration required for in vitro inhibition of thymidylate synthase
33
Total Activities
33
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Confidence | 8 — Homologous single protein target |
| Curated By | Expert |
Publication
Quinazoline antifolate thymidylate synthase inhibitors: alkyl, substituted alkyl, and aryl substituents in the C2 position.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 33 | 6.21 | 7.70 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL389051 | — | — | 1 | 7.70 |
| CHEMBL434209 | — | — | 1 | 7.40 |
| CHEMBL321977 | — | — | 1 | 7.00 |
| CHEMBL322176 | — | — | 1 | 7.00 |
| CHEMBL105370 | — | — | 1 | 6.85 |
| CHEMBL103059 | — | — | 1 | 6.80 |
| CHEMBL44037 | — | — | 1 | 6.77 |
| CHEMBL104846 | — | — | 1 | 6.66 |
| CHEMBL420279 | — | — | 1 | 6.66 |
| CHEMBL317901 | — | — | 1 | 6.62 |
| CHEMBL104759 | — | — | 1 | 6.62 |
| CHEMBL104483 | — | — | 1 | 6.58 |
| CHEMBL40321 | — | — | 1 | 6.52 |
| CHEMBL102469 | — | — | 1 | 6.47 |
| CHEMBL103029 | — | — | 1 | 6.43 |
| CHEMBL105726 | — | — | 1 | 6.32 |
| CHEMBL323539 | — | — | 1 | 6.32 |
| CHEMBL104025 | — | — | 1 | 6.30 |
| CHEMBL104748 | — | — | 1 | 6.27 |
| CHEMBL102506 | — | — | 1 | 6.24 |
| CHEMBL102317 | — | — | 1 | 6.21 |
| CHEMBL321284 | — | — | 1 | 6.19 |
| CHEMBL105519 | — | — | 1 | 6.11 |
| CHEMBL105045 | — | — | 1 | 6.04 |
| CHEMBL319624 | — | — | 1 | 5.89 |
| CHEMBL105260 | — | — | 1 | 5.75 |
| CHEMBL104638 | — | — | 1 | 5.54 |
| CHEMBL70515 | — | — | 1 | 5.35 |
| CHEMBL319914 | — | — | 1 | 5.24 |
| CHEMBL104694 | — | — | 1 | 4.89 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL389051 | — | IC50 | = | 20.0 | nM | 7.70 |
| CHEMBL434209 | — | IC50 | = | 40.0 | nM | 7.40 |
| CHEMBL321977 | — | IC50 | = | 100.0 | nM | 7.00 |
| CHEMBL322176 | — | IC50 | = | 100.0 | nM | 7.00 |
| CHEMBL105370 | — | IC50 | = | 140.0 | nM | 6.85 |
| CHEMBL103059 | — | IC50 | = | 160.0 | nM | 6.80 |
| CHEMBL44037 | — | IC50 | = | 170.0 | nM | 6.77 |
| CHEMBL104846 | — | IC50 | = | 220.0 | nM | 6.66 |
| CHEMBL420279 | — | IC50 | = | 220.0 | nM | 6.66 |
| CHEMBL317901 | — | IC50 | = | 240.0 | nM | 6.62 |
| CHEMBL104759 | — | IC50 | = | 240.0 | nM | 6.62 |
| CHEMBL104483 | — | IC50 | = | 260.0 | nM | 6.58 |
| CHEMBL40321 | — | IC50 | = | 300.0 | nM | 6.52 |
| CHEMBL102469 | — | IC50 | = | 340.0 | nM | 6.47 |
| CHEMBL103029 | — | IC50 | = | 370.0 | nM | 6.43 |
| CHEMBL323539 | — | IC50 | = | 480.0 | nM | 6.32 |
| CHEMBL105726 | — | IC50 | = | 480.0 | nM | 6.32 |
| CHEMBL104025 | — | IC50 | = | 500.0 | nM | 6.30 |
| CHEMBL104748 | — | IC50 | = | 540.0 | nM | 6.27 |
| CHEMBL102506 | — | IC50 | = | 580.0 | nM | 6.24 |
| CHEMBL102317 | — | IC50 | = | 620.0 | nM | 6.21 |
| CHEMBL321284 | — | IC50 | = | 640.0 | nM | 6.19 |
| CHEMBL105519 | — | IC50 | = | 780.0 | nM | 6.11 |
| CHEMBL105045 | — | IC50 | = | 920.0 | nM | 6.04 |
| CHEMBL319624 | — | IC50 | = | 1300.0 | nM | 5.89 |
| CHEMBL105260 | — | IC50 | = | 1760.0 | nM | 5.75 |
| CHEMBL104638 | — | IC50 | = | 2920.0 | nM | 5.54 |
| CHEMBL70515 | — | IC50 | = | 4500.0 | nM | 5.35 |
| CHEMBL319914 | — | IC50 | = | 5700.0 | nM | 5.24 |
| CHEMBL104694 | — | IC50 | = | 12920.0 | nM | 4.89 |
| CHEMBL274495 | — | IC50 | = | 16260.0 | nM | 4.79 |
| CHEMBL105426 | — | IC50 | = | 20000.0 | nM | 4.70 |
| CHEMBL104104 | — | IC50 | = | 25000.0 | nM | 4.60 |