Assay Detail
Binding
CHEMBL5365104
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Binding affinity to N-terminal 6His-tagged truncated SHMT2 (30 to 504 residues) (unknown origin) 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
Serine hydroxymethyltransferase, mitochondrial (CHEMBL4295747) ↗| 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 | 5.94 | 7.80 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL5440815 | — | — | 1 | 7.80 |
| CHEMBL5429283 | — | — | 1 | 7.22 |
| CHEMBL5438587 | — | — | 1 | 7.10 |
| CHEMBL5431881 | — | — | 1 | 6.47 |
| CHEMBL5405010 | — | — | 1 | 6.35 |
| CHEMBL5408906 | — | — | 1 | 6.34 |
| CHEMBL5427804 | — | — | 1 | 6.20 |
| CHEMBL5431331 | — | — | 1 | 6.19 |
| CHEMBL5402700 | — | — | 1 | 5.93 |
| CHEMBL5418034 | — | — | 1 | 5.75 |
| CHEMBL5417651 | — | — | 1 | 5.58 |
| CHEMBL5421259 | — | — | 1 | 5.49 |
| CHEMBL5415985 | — | — | 1 | 5.05 |
| CHEMBL5432700 | — | — | 1 | 4.89 |
| CHEMBL5400671 | — | — | 1 | 4.67 |
| CHEMBL34259 | METHOTREXATE | 4.0 | 1 | 4.01 |
| CHEMBL1201746 | PRALATREXATE | 4.0 | 1 | - |
| CHEMBL225072 | PEMETREXED | 4.0 | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL5440815 | — | Ki | = | 16.0 | nM | 7.80 |
| CHEMBL5429283 | — | Ki | = | 60.0 | nM | 7.22 |
| CHEMBL5438587 | — | Ki | = | 80.0 | nM | 7.10 |
| CHEMBL5431881 | — | Ki | = | 340.0 | nM | 6.47 |
| CHEMBL5405010 | — | Ki | = | 450.0 | nM | 6.35 |
| CHEMBL5408906 | — | Ki | = | 460.0 | nM | 6.34 |
| CHEMBL5427804 | — | Ki | = | 630.0 | nM | 6.20 |
| CHEMBL5431331 | — | Ki | = | 650.0 | nM | 6.19 |
| CHEMBL5402700 | — | Ki | = | 1170.0 | nM | 5.93 |
| CHEMBL5418034 | — | Ki | = | 1780.0 | nM | 5.75 |
| CHEMBL5417651 | — | Ki | = | 2620.0 | nM | 5.58 |
| CHEMBL5421259 | — | Ki | = | 3250.0 | nM | 5.49 |
| CHEMBL5415985 | — | Ki | = | 8880.0 | nM | 5.05 |
| CHEMBL5432700 | — | Ki | = | 12740.0 | nM | 4.89 |
| CHEMBL5400671 | — | Ki | = | 21300.0 | nM | 4.67 |
| CHEMBL34259 | METHOTREXATE | Ki | = | 98000.0 | nM | 4.01 |
| CHEMBL1201746 | PRALATREXATE | Ki | > | 200000.0 | nM | - |
| CHEMBL225072 | PEMETREXED | Ki | > | 200000.0 | nM | - |