Assay Detail
Binding
CHEMBL814565
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Inhibition of purified Escherichia coli Thymidylate synthase
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 | 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 | 16 | 6.24 | 7.31 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL320775 | NOLATREXED | 3.0 | 1 | 7.31 |
| CHEMBL349723 | — | — | 1 | 7.29 |
| CHEMBL423282 | — | — | 1 | 7.02 |
| CHEMBL163410 | — | — | 1 | 6.64 |
| CHEMBL350130 | — | — | 1 | 6.62 |
| CHEMBL163411 | — | — | 1 | 6.55 |
| CHEMBL162613 | — | — | 1 | 6.31 |
| CHEMBL351403 | — | — | 1 | 6.30 |
| CHEMBL164624 | — | — | 1 | 6.22 |
| CHEMBL164289 | — | — | 1 | 5.82 |
| CHEMBL162498 | — | — | 1 | 5.77 |
| CHEMBL163096 | — | — | 1 | 5.00 |
| CHEMBL164569 | — | — | 1 | 4.29 |
| CHEMBL163535 | — | — | 1 | - |
| CHEMBL165683 | — | — | 1 | - |
| CHEMBL351839 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL320775 | NOLATREXED | Ki | = | 49.0 | nM | 7.31 |
| CHEMBL349723 | — | Ki | = | 51.0 | nM | 7.29 |
| CHEMBL423282 | — | Ki | = | 96.0 | nM | 7.02 |
| CHEMBL163410 | — | Ki | = | 230.0 | nM | 6.64 |
| CHEMBL350130 | — | Ki | = | 240.0 | nM | 6.62 |
| CHEMBL163411 | — | Ki | = | 280.0 | nM | 6.55 |
| CHEMBL162613 | — | Ki | = | 490.0 | nM | 6.31 |
| CHEMBL351403 | — | Ki | = | 500.0 | nM | 6.30 |
| CHEMBL164624 | — | Ki | = | 600.0 | nM | 6.22 |
| CHEMBL164289 | — | Ki | = | 1500.0 | nM | 5.82 |
| CHEMBL162498 | — | Ki | = | 1700.0 | nM | 5.77 |
| CHEMBL163096 | — | Ki | = | 10000.0 | nM | 5.00 |
| CHEMBL164569 | — | Ki | = | 51000.0 | nM | 4.29 |
| CHEMBL163535 | — | Ki | > | 10000.0 | nM | - |
| CHEMBL165683 | — | Ki | > | 100000.0 | nM | - |
| CHEMBL351839 | — | Ki | > | 80000.0 | nM | - |