Assay Detail
Binding
CHEMBL823516
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Inhibition of human Thymidylate synthase
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
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 | 20 | 6.91 | 7.96 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL349723 | — | — | 1 | 7.96 |
| CHEMBL320775 | NOLATREXED | 3.0 | 1 | 7.80 |
| CHEMBL162145 | — | — | 1 | 7.75 |
| CHEMBL351885 | — | — | 1 | 7.62 |
| CHEMBL163411 | — | — | 1 | 7.34 |
| CHEMBL351606 | — | — | 1 | 7.30 |
| CHEMBL351403 | — | — | 1 | 7.24 |
| CHEMBL349969 | — | — | 1 | 7.24 |
| CHEMBL165453 | — | — | 1 | 7.19 |
| CHEMBL350130 | — | — | 1 | 7.18 |
| CHEMBL162613 | — | — | 1 | 7.11 |
| CHEMBL164624 | — | — | 1 | 6.92 |
| CHEMBL423282 | — | — | 1 | 6.92 |
| CHEMBL163410 | — | — | 1 | 6.89 |
| CHEMBL351840 | — | — | 1 | 6.23 |
| CHEMBL164289 | — | — | 1 | 6.19 |
| CHEMBL162498 | — | — | 1 | 5.96 |
| CHEMBL163096 | — | — | 1 | 5.68 |
| CHEMBL164569 | — | — | 1 | 4.72 |
| CHEMBL351839 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL349723 | — | Ki | = | 11.0 | nM | 7.96 |
| CHEMBL320775 | NOLATREXED | Ki | = | 16.0 | nM | 7.80 |
| CHEMBL162145 | — | Ki | = | 18.0 | nM | 7.75 |
| CHEMBL351885 | — | Ki | = | 24.0 | nM | 7.62 |
| CHEMBL163411 | — | Ki | = | 46.0 | nM | 7.34 |
| CHEMBL351606 | — | Ki | = | 50.0 | nM | 7.30 |
| CHEMBL351403 | — | Ki | = | 58.0 | nM | 7.24 |
| CHEMBL349969 | — | Ki | = | 58.0 | nM | 7.24 |
| CHEMBL165453 | — | Ki | = | 65.0 | nM | 7.19 |
| CHEMBL350130 | — | Ki | = | 66.0 | nM | 7.18 |
| CHEMBL162613 | — | Ki | = | 78.0 | nM | 7.11 |
| CHEMBL164624 | — | Ki | = | 120.0 | nM | 6.92 |
| CHEMBL423282 | — | Ki | = | 120.0 | nM | 6.92 |
| CHEMBL163410 | — | Ki | = | 130.0 | nM | 6.89 |
| CHEMBL351840 | — | Ki | = | 590.0 | nM | 6.23 |
| CHEMBL164289 | — | Ki | = | 640.0 | nM | 6.19 |
| CHEMBL162498 | — | Ki | = | 1100.0 | nM | 5.96 |
| CHEMBL163096 | — | Ki | = | 2100.0 | nM | 5.68 |
| CHEMBL164569 | — | Ki | = | 19000.0 | nM | 4.72 |
| CHEMBL351839 | — | Ki | = | 190000.0 | nM | - |