Assay Detail
Binding
CHEMBL816447
Review assay metadata, readout intent, target linkage, and publication context from the same page.
In vitro for the inhibition of thrombin
16
Total Activities
16
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Confidence | 8 — Homologous single protein target |
| Curated By | Expert |
Publication
New proline mimetics: synthesis of thrombin inhibitors incorporating cyclopentane- and cyclopentenedicarboxylic acid templates in the P2 position. Binding conformation investigated by X-ray crystallography.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 16 | 5.30 | 6.06 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL49082 | — | — | 1 | 6.06 |
| CHEMBL50117 | — | — | 1 | 6.05 |
| CHEMBL298122 | — | — | 1 | 6.01 |
| CHEMBL45692 | — | — | 1 | 5.88 |
| CHEMBL49808 | — | — | 1 | 5.82 |
| CHEMBL266349 | MELAGATRAN | 4.0 | 1 | 5.33 |
| CHEMBL416904 | — | — | 1 | 5.31 |
| CHEMBL44883 | — | — | 1 | 5.22 |
| CHEMBL298879 | — | — | 1 | 5.03 |
| CHEMBL17646 | — | — | 1 | 4.95 |
| CHEMBL289840 | — | — | 1 | 4.88 |
| CHEMBL433275 | — | — | 1 | 4.69 |
| CHEMBL114715 | INOGATRAN | 2.0 | 1 | 4.65 |
| CHEMBL49757 | — | — | 1 | 4.35 |
| CHEMBL49130 | — | — | 1 | - |
| CHEMBL49050 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL49082 | — | IC50 | = | 870.0 | nM | 6.06 |
| CHEMBL50117 | — | IC50 | = | 890.0 | nM | 6.05 |
| CHEMBL298122 | — | IC50 | = | 980.0 | nM | 6.01 |
| CHEMBL45692 | — | IC50 | = | 1320.0 | nM | 5.88 |
| CHEMBL49808 | — | IC50 | = | 1510.0 | nM | 5.82 |
| CHEMBL266349 | MELAGATRAN | IC50 | = | 4700.0 | nM | 5.33 |
| CHEMBL416904 | — | IC50 | = | 4900.0 | nM | 5.31 |
| CHEMBL44883 | — | IC50 | = | 6030.0 | nM | 5.22 |
| CHEMBL298879 | — | IC50 | = | 9330.0 | nM | 5.03 |
| CHEMBL17646 | — | IC50 | = | 11200.0 | nM | 4.95 |
| CHEMBL289840 | — | IC50 | = | 13200.0 | nM | 4.88 |
| CHEMBL433275 | — | IC50 | = | 20400.0 | nM | 4.69 |
| CHEMBL114715 | INOGATRAN | IC50 | = | 22400.0 | nM | 4.65 |
| CHEMBL49757 | — | IC50 | = | 44700.0 | nM | 4.35 |
| CHEMBL49130 | — | IC50 | > | 132000.0 | nM | - |
| CHEMBL49050 | — | IC50 | > | 132000.0 | nM | - |