Assay Detail
Binding
CHEMBL814564
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Inhibition of purified Escherichia coli Thymidylate synthase
14
Total Activities
14
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
Design of thymidylate synthase inhibitors using protein crystal structures: the synthesis and biological evaluation of a novel class of 5-substituted quinazolinones.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Ki | 14 | 6.02 | 6.85 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL320775 | NOLATREXED | 3.0 | 1 | 6.85 |
| CHEMBL349723 | — | — | 1 | 6.85 |
| CHEMBL423282 | — | — | 1 | 6.66 |
| CHEMBL350130 | — | — | 1 | 6.28 |
| CHEMBL163410 | — | — | 1 | 6.27 |
| CHEMBL163411 | — | — | 1 | 6.15 |
| CHEMBL162613 | — | — | 1 | 6.14 |
| CHEMBL351403 | — | — | 1 | 6.09 |
| CHEMBL164624 | — | — | 1 | 5.96 |
| CHEMBL164289 | — | — | 1 | 5.41 |
| CHEMBL162498 | — | — | 1 | 5.03 |
| CHEMBL163096 | — | — | 1 | 4.52 |
| CHEMBL164569 | — | — | 1 | - |
| CHEMBL351839 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL320775 | NOLATREXED | Ki | = | 140.0 | nM | 6.85 |
| CHEMBL349723 | — | Ki | = | 140.0 | nM | 6.85 |
| CHEMBL423282 | — | Ki | = | 220.0 | nM | 6.66 |
| CHEMBL350130 | — | Ki | = | 530.0 | nM | 6.28 |
| CHEMBL163410 | — | Ki | = | 540.0 | nM | 6.27 |
| CHEMBL163411 | — | Ki | = | 710.0 | nM | 6.15 |
| CHEMBL162613 | — | Ki | = | 730.0 | nM | 6.14 |
| CHEMBL351403 | — | Ki | = | 820.0 | nM | 6.09 |
| CHEMBL164624 | — | Ki | = | 1100.0 | nM | 5.96 |
| CHEMBL164289 | — | Ki | = | 3900.0 | nM | 5.41 |
| CHEMBL162498 | — | Ki | = | 9300.0 | nM | 5.03 |
| CHEMBL163096 | — | Ki | = | 30000.0 | nM | 4.52 |
| CHEMBL164569 | — | Ki | = | 190000.0 | nM | - |
| CHEMBL351839 | — | Ki | > | 80000.0 | nM | - |