Assay Detail
Binding
CHEMBL823517
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Inhibition of human Thymidylate synthase
22
Total Activities
22
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 | 22 | 7.04 | 7.89 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL349723 | — | — | 1 | 7.89 |
| CHEMBL320775 | NOLATREXED | 3.0 | 1 | 7.82 |
| CHEMBL162145 | — | — | 1 | 7.70 |
| CHEMBL351885 | — | — | 1 | 7.55 |
| CHEMBL351606 | — | — | 1 | 7.50 |
| CHEMBL163411 | — | — | 1 | 7.43 |
| CHEMBL350130 | — | — | 1 | 7.41 |
| CHEMBL162613 | — | — | 1 | 7.25 |
| CHEMBL163410 | — | — | 1 | 7.16 |
| CHEMBL423282 | — | — | 1 | 7.12 |
| CHEMBL349969 | — | — | 1 | 7.10 |
| CHEMBL164624 | — | — | 1 | 7.06 |
| CHEMBL351403 | — | — | 1 | 7.03 |
| CHEMBL165453 | — | — | 1 | 6.85 |
| CHEMBL351840 | — | — | 1 | 6.70 |
| CHEMBL164289 | — | — | 1 | 6.58 |
| CHEMBL162498 | — | — | 1 | 6.51 |
| CHEMBL163096 | — | — | 1 | 6.02 |
| CHEMBL164569 | — | — | 1 | 5.06 |
| CHEMBL351839 | — | — | 1 | - |
| CHEMBL165683 | — | — | 1 | - |
| CHEMBL163535 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL349723 | — | Ki | = | 13.0 | nM | 7.89 |
| CHEMBL320775 | NOLATREXED | Ki | = | 15.0 | nM | 7.82 |
| CHEMBL162145 | — | Ki | = | 20.0 | nM | 7.70 |
| CHEMBL351885 | — | Ki | = | 28.0 | nM | 7.55 |
| CHEMBL351606 | — | Ki | = | 32.0 | nM | 7.50 |
| CHEMBL163411 | — | Ki | = | 37.0 | nM | 7.43 |
| CHEMBL350130 | — | Ki | = | 39.0 | nM | 7.41 |
| CHEMBL162613 | — | Ki | = | 56.0 | nM | 7.25 |
| CHEMBL163410 | — | Ki | = | 70.0 | nM | 7.16 |
| CHEMBL423282 | — | Ki | = | 76.0 | nM | 7.12 |
| CHEMBL349969 | — | Ki | = | 80.0 | nM | 7.10 |
| CHEMBL164624 | — | Ki | = | 87.0 | nM | 7.06 |
| CHEMBL351403 | — | Ki | = | 93.0 | nM | 7.03 |
| CHEMBL165453 | — | Ki | = | 141.0 | nM | 6.85 |
| CHEMBL351840 | — | Ki | = | 200.0 | nM | 6.70 |
| CHEMBL164289 | — | Ki | = | 260.0 | nM | 6.58 |
| CHEMBL162498 | — | Ki | = | 310.0 | nM | 6.51 |
| CHEMBL163096 | — | Ki | = | 960.0 | nM | 6.02 |
| CHEMBL164569 | — | Ki | = | 8800.0 | nM | 5.06 |
| CHEMBL351839 | — | Ki | = | 120000.0 | nM | - |
| CHEMBL165683 | — | Ki | > | 100000.0 | nM | - |
| CHEMBL163535 | — | Ki | > | 10000.0 | nM | - |