Assay Detail
Binding
CHEMBL5365101
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Binding affinity to N-terminal 6His-tagged human GARFTase (808 to 1010 residues) expressed in Escherichia coli Rosetta (DE3) pLysS assessed as inhibition constant by spectrophotometric analysis
18
Total Activities
18
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Homo sapiens |
| Confidence | 9 — Direct single protein target |
| Curated By | Autocuration |
Target
Trifunctional purine biosynthetic protein adenosine-3 (CHEMBL3972) ↗| Type | SINGLE PROTEIN |
| Organism | Homo sapiens |
Publication
Structure-Based Design of Transport-Specific Multitargeted One-Carbon Metabolism Inhibitors in Cytosol and Mitochondria.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Ki | 18 | 5.40 | 6.55 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL5417651 | — | — | 1 | 6.55 |
| CHEMBL5429283 | — | — | 1 | 6.48 |
| CHEMBL5438587 | — | — | 1 | 6.42 |
| CHEMBL5415985 | — | — | 1 | 5.67 |
| CHEMBL5427804 | — | — | 1 | 5.60 |
| CHEMBL5405010 | — | — | 1 | 5.50 |
| CHEMBL225072 | PEMETREXED | 4.0 | 1 | 5.28 |
| CHEMBL5440815 | — | — | 1 | 4.99 |
| CHEMBL5402700 | — | — | 1 | 4.99 |
| CHEMBL5400671 | — | — | 1 | 4.83 |
| CHEMBL5431331 | — | — | 1 | 4.77 |
| CHEMBL5432700 | — | — | 1 | 4.66 |
| CHEMBL5421259 | — | — | 1 | 4.49 |
| CHEMBL5408906 | — | — | 1 | - |
| CHEMBL5418034 | — | — | 1 | - |
| CHEMBL5431881 | — | — | 1 | - |
| CHEMBL34259 | METHOTREXATE | 4.0 | 1 | - |
| CHEMBL1201746 | PRALATREXATE | 4.0 | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL5417651 | — | Ki | = | 280.0 | nM | 6.55 |
| CHEMBL5429283 | — | Ki | = | 330.0 | nM | 6.48 |
| CHEMBL5438587 | — | Ki | = | 380.0 | nM | 6.42 |
| CHEMBL5415985 | — | Ki | = | 2150.0 | nM | 5.67 |
| CHEMBL5427804 | — | Ki | = | 2490.0 | nM | 5.60 |
| CHEMBL5405010 | — | Ki | = | 3130.0 | nM | 5.50 |
| CHEMBL225072 | PEMETREXED | Ki | = | 5200.0 | nM | 5.28 |
| CHEMBL5440815 | — | Ki | = | 10300.0 | nM | 4.99 |
| CHEMBL5402700 | — | Ki | = | 10300.0 | nM | 4.99 |
| CHEMBL5400671 | — | Ki | = | 14640.0 | nM | 4.83 |
| CHEMBL5431331 | — | Ki | = | 17060.0 | nM | 4.77 |
| CHEMBL5432700 | — | Ki | = | 21660.0 | nM | 4.66 |
| CHEMBL5421259 | — | Ki | = | 32120.0 | nM | 4.49 |
| CHEMBL5408906 | — | Ki | > | 150000.0 | nM | - |
| CHEMBL5418034 | — | Ki | > | 150000.0 | nM | - |
| CHEMBL5431881 | — | Ki | > | 150000.0 | nM | - |
| CHEMBL34259 | METHOTREXATE | Ki | > | 150000.0 | nM | - |
| CHEMBL1201746 | PRALATREXATE | Ki | > | 150000.0 | nM | - |