Assay Detail
Binding
CHEMBL4432181
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Inhibition of MB-COMT in Wistar rat brain assessed as metanephrine formation preincubated for 20 mins followed by addition of adrenaline as substrate and SAM measured after 15 mins by chromatographic analysis
22
Total Activities
16
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Rattus norvegicus |
| Tissue | Brain |
| 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 | 22 | 8.31 | 9.08 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL4463709 | — | — | 1 | 9.08 |
| CHEMBL1324 | TOLCAPONE | 4.0 | 2 | 9.04 |
| CHEMBL4437043 | — | — | 1 | 8.79 |
| CHEMBL4447349 | — | — | 2 | 8.73 |
| CHEMBL953 | ENTACAPONE | 4.0 | 2 | 8.52 |
| CHEMBL4448310 | — | — | 1 | 8.50 |
| CHEMBL4543735 | — | — | 2 | 8.43 |
| CHEMBL4444830 | — | — | 2 | 8.32 |
| CHEMBL481644 | — | — | 2 | 8.31 |
| CHEMBL4437795 | — | — | 1 | 8.26 |
| CHEMBL137555 | — | — | 1 | 8.24 |
| CHEMBL145 | CAFFEIC ACID | 3.0 | 1 | 7.03 |
| CHEMBL4521833 | — | — | 1 | 7.00 |
| CHEMBL4472878 | — | — | 1 | 6.74 |
| CHEMBL133714 | BENZYL CAFFEATE | — | 1 | - |
| CHEMBL319244 | CAFFEIC ACID PHENETHYL ESTER | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL4463709 | — | IC50 | = | 0.84 | nM | 9.08 |
| CHEMBL1324 | TOLCAPONE | IC50 | = | 0.91 | nM | 9.04 |
| CHEMBL1324 | TOLCAPONE | IC50 | = | 0.912 | nM | 9.04 |
| CHEMBL4437043 | — | IC50 | = | 1.64 | nM | 8.79 |
| CHEMBL4447349 | — | IC50 | = | 1.862 | nM | 8.73 |
| CHEMBL4447349 | — | IC50 | = | 1.92 | nM | 8.72 |
| CHEMBL953 | ENTACAPONE | IC50 | = | 3.02 | nM | 8.52 |
| CHEMBL4448310 | — | IC50 | = | 3.14 | nM | 8.50 |
| CHEMBL953 | ENTACAPONE | IC50 | = | 3.47 | nM | 8.46 |
| CHEMBL4543735 | — | IC50 | = | 3.715 | nM | 8.43 |
| CHEMBL4543735 | — | IC50 | = | 3.77 | nM | 8.42 |
| CHEMBL4444830 | — | IC50 | = | 4.78 | nM | 8.32 |
| CHEMBL4444830 | — | IC50 | = | 4.786 | nM | 8.32 |
| CHEMBL481644 | — | IC50 | = | 4.898 | nM | 8.31 |
| CHEMBL481644 | — | IC50 | = | 5.02 | nM | 8.30 |
| CHEMBL4437795 | — | IC50 | = | 5.56 | nM | 8.26 |
| CHEMBL137555 | — | IC50 | = | 5.79 | nM | 8.24 |
| CHEMBL145 | CAFFEIC ACID | IC50 | = | 92.82 | nM | 7.03 |
| CHEMBL4521833 | — | IC50 | = | 100.71 | nM | 7.00 |
| CHEMBL4472878 | — | IC50 | = | 180.39 | nM | 6.74 |
| CHEMBL133714 | BENZYL CAFFEATE | IC50 | - | — | - | |
| CHEMBL319244 | CAFFEIC ACID PHENETHYL ESTER | IC50 | - | — | - |