Assay Detail
Binding
CHEMBL882134
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Inhibition of human Thymidylate synthase (TS)
14
Total Activities
14
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Homo sapiens |
| Confidence | 9 — Direct single protein target |
| Curated By | Expert |
Publication
Design and synthesis of novel 6,7-imidazotetrahydroquinoline inhibitors of thymidylate synthase using iterative protein crystal structure analysis.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Ki | 14 | 6.94 | 8.22 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL168524 | — | — | 1 | 8.22 |
| CHEMBL169411 | — | — | 1 | 7.96 |
| CHEMBL301256 | — | — | 1 | 7.88 |
| CHEMBL169921 | — | — | 1 | 7.70 |
| CHEMBL171314 | — | — | 1 | 7.62 |
| CHEMBL353813 | — | — | 1 | 7.42 |
| CHEMBL171057 | — | — | 1 | 7.29 |
| CHEMBL56662 | — | — | 1 | 7.19 |
| CHEMBL353191 | — | — | 1 | 6.64 |
| CHEMBL169727 | — | — | 1 | 6.36 |
| CHEMBL352620 | — | — | 1 | 6.32 |
| CHEMBL169726 | — | — | 1 | 6.11 |
| CHEMBL172176 | — | — | 1 | 5.38 |
| CHEMBL353700 | — | — | 1 | 5.11 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL168524 | — | Ki | = | 6.0 | nM | 8.22 |
| CHEMBL169411 | — | Ki | = | 11.0 | nM | 7.96 |
| CHEMBL301256 | — | Ki | = | 13.1 | nM | 7.88 |
| CHEMBL169921 | — | Ki | = | 20.0 | nM | 7.70 |
| CHEMBL171314 | — | Ki | = | 24.0 | nM | 7.62 |
| CHEMBL353813 | — | Ki | = | 38.0 | nM | 7.42 |
| CHEMBL171057 | — | Ki | = | 51.0 | nM | 7.29 |
| CHEMBL56662 | — | Ki | = | 64.0 | nM | 7.19 |
| CHEMBL353191 | — | Ki | = | 230.0 | nM | 6.64 |
| CHEMBL169727 | — | Ki | = | 440.0 | nM | 6.36 |
| CHEMBL352620 | — | Ki | = | 480.0 | nM | 6.32 |
| CHEMBL169726 | — | Ki | = | 770.0 | nM | 6.11 |
| CHEMBL172176 | — | Ki | = | 4200.0 | nM | 5.38 |
| CHEMBL353700 | — | Ki | = | 7700.0 | nM | 5.11 |