Assay Detail
Binding
CHEMBL4432180
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Inhibition of S-COMT in Wistar rat liver assessed as metanephrine formation preincubated for 20 mins followed by addition of adrenaline as substrate and SAM measured after 5 mins by chromatographic analysis
16
Total Activities
16
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Rattus norvegicus |
| Tissue | Liver |
| Confidence | 9 — Direct single protein target |
| Curated By | Autocuration |
Publication
Development of Blood-Brain Barrier Permeable Nitrocatechol-Based Catechol O-Methyltransferase Inhibitors with Reduced Potential for Hepatotoxicity.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 16 | 7.19 | 7.95 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL4437043 | — | — | 1 | 7.95 |
| CHEMBL4463709 | — | — | 1 | 7.89 |
| CHEMBL137555 | — | — | 1 | 7.89 |
| CHEMBL4448310 | — | — | 1 | 7.53 |
| CHEMBL1324 | TOLCAPONE | 4.0 | 1 | 7.51 |
| CHEMBL953 | ENTACAPONE | 4.0 | 1 | 7.46 |
| CHEMBL4447349 | — | — | 1 | 7.28 |
| CHEMBL4437795 | — | — | 1 | 7.26 |
| CHEMBL4521833 | — | — | 1 | 7.26 |
| CHEMBL4543735 | — | — | 1 | 7.19 |
| CHEMBL481644 | — | — | 1 | 6.90 |
| CHEMBL4444830 | — | — | 1 | 6.86 |
| CHEMBL4472878 | — | — | 1 | 6.48 |
| CHEMBL145 | CAFFEIC ACID | 3.0 | 1 | 5.23 |
| CHEMBL133714 | BENZYL CAFFEATE | — | 1 | - |
| CHEMBL319244 | CAFFEIC ACID PHENETHYL ESTER | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL4437043 | — | IC50 | = | 11.35 | nM | 7.95 |
| CHEMBL4463709 | — | IC50 | = | 12.82 | nM | 7.89 |
| CHEMBL137555 | — | IC50 | = | 12.84 | nM | 7.89 |
| CHEMBL4448310 | — | IC50 | = | 29.86 | nM | 7.53 |
| CHEMBL1324 | TOLCAPONE | IC50 | = | 30.59 | nM | 7.51 |
| CHEMBL953 | ENTACAPONE | IC50 | = | 34.45 | nM | 7.46 |
| CHEMBL4447349 | — | IC50 | = | 52.47 | nM | 7.28 |
| CHEMBL4437795 | — | IC50 | = | 54.85 | nM | 7.26 |
| CHEMBL4521833 | — | IC50 | = | 55.35 | nM | 7.26 |
| CHEMBL4543735 | — | IC50 | = | 64.81 | nM | 7.19 |
| CHEMBL481644 | — | IC50 | = | 124.87 | nM | 6.90 |
| CHEMBL4444830 | — | IC50 | = | 137.6 | nM | 6.86 |
| CHEMBL4472878 | — | IC50 | = | 329.34 | nM | 6.48 |
| CHEMBL145 | CAFFEIC ACID | IC50 | = | 5861.0 | nM | 5.23 |
| CHEMBL133714 | BENZYL CAFFEATE | IC50 | - | — | - | |
| CHEMBL319244 | CAFFEIC ACID PHENETHYL ESTER | IC50 | - | — | - |