Assay Detail
Binding
CHEMBL4481780
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Inhibition of recombinant human MAOB expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 30 mins followed by substrate addition and measured over 45 mins by horseradish peroxidase-Amplex Red-coupled fluorometric assay
40
Total Activities
40
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 |
Publication
Novel multi-target directed ligands based on annelated xanthine scaffold with aromatic substituents acting on adenosine receptor and monoamine oxidase B. Synthesis, in vitro and in silico studies.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 40 | 6.37 | 7.75 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL26138 | — | — | 1 | 7.75 |
| CHEMBL4569183 | — | — | 1 | 7.08 |
| CHEMBL4535750 | — | — | 1 | 6.82 |
| CHEMBL4544530 | — | — | 1 | 6.77 |
| CHEMBL4574378 | — | — | 1 | 6.75 |
| CHEMBL4546819 | — | — | 1 | 6.58 |
| CHEMBL4559410 | — | — | 1 | 6.56 |
| CHEMBL4483563 | — | — | 1 | 6.55 |
| CHEMBL4554986 | — | — | 1 | 6.51 |
| CHEMBL4563999 | — | — | 1 | 6.50 |
| CHEMBL4533073 | — | — | 1 | 6.46 |
| CHEMBL4550899 | — | — | 1 | 6.46 |
| CHEMBL241618 | — | — | 1 | 6.46 |
| CHEMBL4517303 | — | — | 1 | 6.44 |
| CHEMBL4579508 | — | — | 1 | 6.43 |
| CHEMBL4517925 | — | — | 1 | 6.42 |
| CHEMBL4537668 | — | — | 1 | 6.40 |
| CHEMBL4579395 | — | — | 1 | 6.39 |
| CHEMBL4574192 | — | — | 1 | 6.39 |
| CHEMBL4569201 | — | — | 1 | 6.37 |
| CHEMBL4521398 | — | — | 1 | 6.29 |
| CHEMBL4521517 | — | — | 1 | 6.24 |
| CHEMBL4540760 | — | — | 1 | 6.23 |
| CHEMBL4592888 | — | — | 1 | 6.12 |
| CHEMBL4570974 | — | — | 1 | 6.08 |
| CHEMBL4573517 | — | — | 1 | 6.00 |
| CHEMBL4560961 | — | — | 1 | 5.97 |
| CHEMBL4531455 | — | — | 1 | 5.93 |
| CHEMBL4566592 | — | — | 1 | 5.87 |
| CHEMBL4549927 | — | — | 1 | 5.72 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL26138 | — | IC50 | = | 17.8 | nM | 7.75 |
| CHEMBL4569183 | — | IC50 | = | 83.0 | nM | 7.08 |
| CHEMBL4535750 | — | IC50 | = | 150.0 | nM | 6.82 |
| CHEMBL4544530 | — | IC50 | = | 171.0 | nM | 6.77 |
| CHEMBL4574378 | — | IC50 | = | 177.0 | nM | 6.75 |
| CHEMBL4546819 | — | IC50 | = | 264.0 | nM | 6.58 |
| CHEMBL4559410 | — | IC50 | = | 275.0 | nM | 6.56 |
| CHEMBL4483563 | — | IC50 | = | 282.0 | nM | 6.55 |
| CHEMBL4554986 | — | IC50 | = | 310.0 | nM | 6.51 |
| CHEMBL4563999 | — | IC50 | = | 313.0 | nM | 6.50 |
| CHEMBL4550899 | — | IC50 | = | 343.0 | nM | 6.46 |
| CHEMBL241618 | — | IC50 | = | 344.0 | nM | 6.46 |
| CHEMBL4533073 | — | IC50 | = | 346.0 | nM | 6.46 |
| CHEMBL4517303 | — | IC50 | = | 364.0 | nM | 6.44 |
| CHEMBL4579508 | — | IC50 | = | 371.0 | nM | 6.43 |
| CHEMBL4517925 | — | IC50 | = | 377.0 | nM | 6.42 |
| CHEMBL4537668 | — | IC50 | = | 396.0 | nM | 6.40 |
| CHEMBL4579395 | — | IC50 | = | 411.0 | nM | 6.39 |
| CHEMBL4574192 | — | IC50 | = | 407.0 | nM | 6.39 |
| CHEMBL4569201 | — | IC50 | = | 426.0 | nM | 6.37 |
| CHEMBL4521398 | — | IC50 | = | 515.0 | nM | 6.29 |
| CHEMBL4521517 | — | IC50 | = | 570.0 | nM | 6.24 |
| CHEMBL4540760 | — | IC50 | = | 583.0 | nM | 6.23 |
| CHEMBL4592888 | — | IC50 | = | 758.0 | nM | 6.12 |
| CHEMBL4570974 | — | IC50 | = | 840.0 | nM | 6.08 |
| CHEMBL4573517 | — | IC50 | = | 991.0 | nM | 6.00 |
| CHEMBL4560961 | — | IC50 | = | 1070.0 | nM | 5.97 |
| CHEMBL4531455 | — | IC50 | = | 1180.0 | nM | 5.93 |
| CHEMBL4566592 | — | IC50 | = | 1350.0 | nM | 5.87 |
| CHEMBL4549927 | — | IC50 | = | 1917.0 | nM | 5.72 |
| CHEMBL887 | RASAGILINE | IC50 | = | 15400.0 | nM | 4.81 |
| CHEMBL4558859 | — | IC50 | > | 1000.0 | nM | - |
| CHEMBL4530654 | — | IC50 | > | 1000.0 | nM | - |
| CHEMBL4565406 | — | IC50 | > | 1000.0 | nM | - |
| CHEMBL4580206 | — | IC50 | > | 1000.0 | nM | - |
| CHEMBL4574105 | — | IC50 | > | 1000.0 | nM | - |
| CHEMBL4554404 | — | IC50 | = | 111000.0 | nM | - |
| CHEMBL4573063 | — | IC50 | > | 1000.0 | nM | - |
| CHEMBL4576786 | — | IC50 | > | 1000.0 | nM | - |
| CHEMBL4563397 | — | IC50 | > | 1000.0 | nM | - |