Assay Detail
Binding
CHEMBL828974
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In vitro binding affinity against recombinant human Phenylethanolamine N-methyl-transferase expressed in Escherichia coli using [methyl-3H]-AdoMet
17
Total Activities
17
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Homo sapiens |
| Confidence | 9 — Direct single protein target |
| Curated By | Expert |
Target
Phenylethanolamine N-methyltransferase (CHEMBL4617) ↗| Type | SINGLE PROTEIN |
| Organism | Homo sapiens |
Publication
Nanomolar inhibitors of CNS epinephrine biosynthesis: (R)-(+)-3-fluoromethyl-7-(N-substituted aminosulfonyl)-1,2,3,4-tetrahydroisoquinolines as potent and highly selective inhibitors of phenylethanolamine N-methyltransferase1.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Ki | 17 | 6.41 | 7.21 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL425522 | — | — | 1 | 7.21 |
| CHEMBL361203 | — | — | 1 | 7.14 |
| CHEMBL177101 | — | — | 1 | 7.00 |
| CHEMBL135959 | — | — | 1 | 6.96 |
| CHEMBL178695 | — | — | 1 | 6.89 |
| CHEMBL95873 | — | — | 1 | 6.82 |
| CHEMBL177621 | — | — | 1 | 6.66 |
| CHEMBL290890 | — | — | 1 | 6.57 |
| CHEMBL177749 | — | — | 1 | 6.21 |
| CHEMBL135957 | — | — | 1 | 6.21 |
| CHEMBL175094 | — | — | 1 | 6.12 |
| CHEMBL179298 | — | — | 1 | 6.10 |
| CHEMBL174274 | — | — | 1 | 5.92 |
| CHEMBL355581 | — | — | 1 | 5.92 |
| CHEMBL177861 | — | — | 1 | 5.85 |
| CHEMBL435536 | — | — | 1 | 5.77 |
| CHEMBL177936 | — | — | 1 | 5.58 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL425522 | — | Ki | = | 61.0 | nM | 7.21 |
| CHEMBL361203 | — | Ki | = | 72.0 | nM | 7.14 |
| CHEMBL177101 | — | Ki | = | 99.0 | nM | 7.00 |
| CHEMBL135959 | — | Ki | = | 110.0 | nM | 6.96 |
| CHEMBL178695 | — | Ki | = | 130.0 | nM | 6.89 |
| CHEMBL95873 | — | Ki | = | 150.0 | nM | 6.82 |
| CHEMBL177621 | — | Ki | = | 220.0 | nM | 6.66 |
| CHEMBL290890 | — | Ki | = | 270.0 | nM | 6.57 |
| CHEMBL177749 | — | Ki | = | 610.0 | nM | 6.21 |
| CHEMBL135957 | — | Ki | = | 610.0 | nM | 6.21 |
| CHEMBL175094 | — | Ki | = | 750.0 | nM | 6.12 |
| CHEMBL179298 | — | Ki | = | 790.0 | nM | 6.10 |
| CHEMBL174274 | — | Ki | = | 1200.0 | nM | 5.92 |
| CHEMBL355581 | — | Ki | = | 1200.0 | nM | 5.92 |
| CHEMBL177861 | — | Ki | = | 1400.0 | nM | 5.85 |
| CHEMBL435536 | — | Ki | = | 1700.0 | nM | 5.77 |
| CHEMBL177936 | — | Ki | = | 2600.0 | nM | 5.58 |