Assay Detail
Binding
CHEMBL5365102
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Binding affinity to N-terminal 6His-tagged full length human ATIC 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
Bifunctional purine biosynthesis protein ATIC (CHEMBL2518) ↗| 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 | 5.29 | 6.06 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL225072 | PEMETREXED | 4.0 | 1 | 6.06 |
| CHEMBL5427804 | — | — | 1 | 6.03 |
| CHEMBL5417651 | — | — | 1 | 5.55 |
| CHEMBL5402700 | — | — | 1 | 5.52 |
| CHEMBL5405010 | — | — | 1 | 5.43 |
| CHEMBL5431331 | — | — | 1 | 5.36 |
| CHEMBL5440815 | — | — | 1 | 5.33 |
| CHEMBL5415985 | — | — | 1 | 5.32 |
| CHEMBL5432700 | — | — | 1 | 5.24 |
| CHEMBL5438587 | — | — | 1 | 5.13 |
| CHEMBL5408906 | — | — | 1 | 5.05 |
| CHEMBL5421259 | — | — | 1 | 4.98 |
| CHEMBL5418034 | — | — | 1 | 4.96 |
| CHEMBL5429283 | — | — | 1 | 4.95 |
| CHEMBL5431881 | — | — | 1 | 4.87 |
| CHEMBL5400671 | — | — | 1 | 4.78 |
| CHEMBL34259 | METHOTREXATE | 4.0 | 1 | - |
| CHEMBL1201746 | PRALATREXATE | 4.0 | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL225072 | PEMETREXED | Ki | = | 880.0 | nM | 6.06 |
| CHEMBL5427804 | — | Ki | = | 930.0 | nM | 6.03 |
| CHEMBL5417651 | — | Ki | = | 2820.0 | nM | 5.55 |
| CHEMBL5402700 | — | Ki | = | 2990.0 | nM | 5.52 |
| CHEMBL5405010 | — | Ki | = | 3720.0 | nM | 5.43 |
| CHEMBL5431331 | — | Ki | = | 4380.0 | nM | 5.36 |
| CHEMBL5440815 | — | Ki | = | 4710.0 | nM | 5.33 |
| CHEMBL5415985 | — | Ki | = | 4810.0 | nM | 5.32 |
| CHEMBL5432700 | — | Ki | = | 5740.0 | nM | 5.24 |
| CHEMBL5438587 | — | Ki | = | 7420.0 | nM | 5.13 |
| CHEMBL5408906 | — | Ki | = | 8860.0 | nM | 5.05 |
| CHEMBL5421259 | — | Ki | = | 10480.0 | nM | 4.98 |
| CHEMBL5418034 | — | Ki | = | 10860.0 | nM | 4.96 |
| CHEMBL5429283 | — | Ki | = | 11280.0 | nM | 4.95 |
| CHEMBL5431881 | — | Ki | = | 13360.0 | nM | 4.87 |
| CHEMBL5400671 | — | Ki | = | 16540.0 | nM | 4.78 |
| CHEMBL34259 | METHOTREXATE | Ki | > | 200000.0 | nM | - |
| CHEMBL1201746 | PRALATREXATE | Ki | > | 200000.0 | nM | - |