Assay Detail
Binding
CHEMBL661106
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In vitro inhibitory activity against catechol O-methyltransferase of rat brain using 3,4-dihydroxybenzoic acid as the substrate.
29
Total Activities
29
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Confidence | 8 — Homologous single protein target |
| Curated By | Expert |
Publication
Synthesis of some novel potent and selective catechol O-methyltransferase inhibitors.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 29 | 6.88 | 8.52 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL265218 | — | — | 1 | 8.52 |
| CHEMBL168600 | — | — | 1 | 8.30 |
| CHEMBL169926 | — | — | 1 | 8.22 |
| CHEMBL167054 | — | — | 1 | 7.92 |
| CHEMBL168276 | 3,5-DINITROCATECHOL (OR-486) | — | 1 | 7.92 |
| CHEMBL169033 | — | — | 1 | 7.80 |
| CHEMBL168389 | — | — | 1 | 7.75 |
| CHEMBL167055 | NITECAPONE | 2.0 | 1 | 7.75 |
| CHEMBL350927 | — | — | 1 | 7.72 |
| CHEMBL166486 | — | — | 1 | 7.70 |
| CHEMBL1244 | 3,4-DIHYDROXY-5-NITROBENZALDEHYDE | — | 1 | 7.62 |
| CHEMBL355017 | — | — | 1 | 7.60 |
| CHEMBL169891 | — | — | 1 | 7.52 |
| CHEMBL353012 | — | — | 1 | 7.30 |
| CHEMBL167172 | — | — | 1 | 7.05 |
| CHEMBL353188 | — | — | 1 | 7.05 |
| CHEMBL169465 | — | — | 1 | 6.80 |
| CHEMBL355736 | — | — | 1 | 6.80 |
| CHEMBL355402 | — | — | 1 | 6.75 |
| CHEMBL168451 | — | — | 1 | 6.40 |
| CHEMBL170549 | — | — | 1 | 6.21 |
| CHEMBL352270 | — | — | 1 | 5.96 |
| CHEMBL354517 | — | — | 1 | 5.82 |
| CHEMBL166908 | — | — | 1 | 5.64 |
| CHEMBL169679 | — | — | 1 | 5.57 |
| CHEMBL353187 | — | — | 1 | 5.22 |
| CHEMBL168818 | — | — | 1 | 5.10 |
| CHEMBL169208 | — | — | 1 | 4.92 |
| CHEMBL353983 | — | — | 1 | 4.70 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL265218 | — | IC50 | = | 3.0 | nM | 8.52 |
| CHEMBL168600 | — | IC50 | = | 5.0 | nM | 8.30 |
| CHEMBL169926 | — | IC50 | = | 6.0 | nM | 8.22 |
| CHEMBL167054 | — | IC50 | = | 12.0 | nM | 7.92 |
| CHEMBL168276 | 3,5-DINITROCATECHOL (OR-486) | IC50 | = | 12.0 | nM | 7.92 |
| CHEMBL169033 | — | IC50 | = | 16.0 | nM | 7.80 |
| CHEMBL168389 | — | IC50 | = | 18.0 | nM | 7.75 |
| CHEMBL167055 | NITECAPONE | IC50 | = | 18.0 | nM | 7.75 |
| CHEMBL350927 | — | IC50 | = | 19.0 | nM | 7.72 |
| CHEMBL166486 | — | IC50 | = | 20.0 | nM | 7.70 |
| CHEMBL1244 | 3,4-DIHYDROXY-5-NITROBENZALDEHYDE | IC50 | = | 24.0 | nM | 7.62 |
| CHEMBL355017 | — | IC50 | = | 25.0 | nM | 7.60 |
| CHEMBL169891 | — | IC50 | = | 30.0 | nM | 7.52 |
| CHEMBL353012 | — | IC50 | = | 50.0 | nM | 7.30 |
| CHEMBL167172 | — | IC50 | = | 90.0 | nM | 7.05 |
| CHEMBL353188 | — | IC50 | = | 90.0 | nM | 7.05 |
| CHEMBL169465 | — | IC50 | = | 160.0 | nM | 6.80 |
| CHEMBL355736 | — | IC50 | = | 160.0 | nM | 6.80 |
| CHEMBL355402 | — | IC50 | = | 180.0 | nM | 6.75 |
| CHEMBL168451 | — | IC50 | = | 400.0 | nM | 6.40 |
| CHEMBL170549 | — | IC50 | = | 620.0 | nM | 6.21 |
| CHEMBL352270 | — | IC50 | = | 1100.0 | nM | 5.96 |
| CHEMBL354517 | — | IC50 | = | 1500.0 | nM | 5.82 |
| CHEMBL166908 | — | IC50 | = | 2300.0 | nM | 5.64 |
| CHEMBL169679 | — | IC50 | = | 2700.0 | nM | 5.57 |
| CHEMBL353187 | — | IC50 | = | 6000.0 | nM | 5.22 |
| CHEMBL168818 | — | IC50 | = | 8000.0 | nM | 5.10 |
| CHEMBL169208 | — | IC50 | = | 12000.0 | nM | 4.92 |
| CHEMBL353983 | — | IC50 | = | 20000.0 | nM | 4.70 |