Assay Detail
Binding
CHEMBL828215
Review assay metadata, readout intent, target linkage, and publication context from the same page.
Binding affinity against bovine trypsin
66
Total Activities
65
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Bos taurus |
| Confidence | 9 — Direct single protein target |
| Curated By | Expert |
Publication
In-depth study of tripeptide-based alpha-ketoheterocycles as inhibitors of thrombin. Effective utilization of the S1' subsite and its implications to structure-based drug design.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Ki | 66 | 7.62 | 9.52 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL179910 | — | — | 1 | 9.52 |
| CHEMBL179245 | — | — | 1 | 9.52 |
| CHEMBL322205 | — | — | 1 | 8.92 |
| CHEMBL363003 | — | — | 1 | 8.92 |
| CHEMBL427125 | — | — | 1 | 8.82 |
| CHEMBL176063 | — | — | 1 | 8.82 |
| CHEMBL366688 | — | — | 1 | 8.74 |
| CHEMBL361822 | — | — | 1 | 8.74 |
| CHEMBL360071 | — | — | 1 | 8.74 |
| CHEMBL176031 | — | — | 1 | 8.70 |
| CHEMBL366882 | — | — | 1 | 8.70 |
| CHEMBL366653 | — | — | 1 | 8.62 |
| CHEMBL179961 | — | — | 1 | 8.59 |
| CHEMBL401737 | — | — | 1 | 8.57 |
| CHEMBL176491 | — | — | 1 | 8.57 |
| CHEMBL361379 | — | — | 1 | 8.54 |
| CHEMBL176000 | — | — | 1 | 8.52 |
| CHEMBL270437 | — | — | 1 | 8.51 |
| CHEMBL176660 | — | — | 1 | 8.46 |
| CHEMBL175497 | — | — | 1 | 8.43 |
| CHEMBL368937 | — | — | 1 | 8.41 |
| CHEMBL366902 | — | — | 1 | 8.41 |
| CHEMBL369868 | — | — | 1 | 8.37 |
| CHEMBL175620 | — | — | 1 | 8.36 |
| CHEMBL179081 | — | — | 1 | 8.30 |
| CHEMBL369008 | — | — | 1 | 8.28 |
| CHEMBL175738 | — | — | 1 | 8.27 |
| CHEMBL177769 | — | — | 1 | 8.22 |
| CHEMBL366625 | — | — | 1 | 8.10 |
| CHEMBL367647 | — | — | 1 | 8.08 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL179910 | — | Ki | = | 0.3 | nM | 9.52 |
| CHEMBL179245 | — | Ki | = | 0.3 | nM | 9.52 |
| CHEMBL363003 | — | Ki | = | 1.2 | nM | 8.92 |
| CHEMBL322205 | — | Ki | = | 1.2 | nM | 8.92 |
| CHEMBL427125 | — | Ki | = | 1.5 | nM | 8.82 |
| CHEMBL176063 | — | Ki | = | 1.5 | nM | 8.82 |
| CHEMBL366688 | — | Ki | = | 1.8 | nM | 8.74 |
| CHEMBL361822 | — | Ki | = | 1.8 | nM | 8.74 |
| CHEMBL360071 | — | Ki | = | 1.8 | nM | 8.74 |
| CHEMBL176031 | — | Ki | = | 2.0 | nM | 8.70 |
| CHEMBL366882 | — | Ki | = | 2.0 | nM | 8.70 |
| CHEMBL366653 | — | Ki | = | 2.4 | nM | 8.62 |
| CHEMBL179961 | — | Ki | = | 2.6 | nM | 8.59 |
| CHEMBL176491 | — | Ki | = | 2.7 | nM | 8.57 |
| CHEMBL401737 | — | Ki | = | 2.7 | nM | 8.57 |
| CHEMBL361379 | — | Ki | = | 2.9 | nM | 8.54 |
| CHEMBL176000 | — | Ki | = | 3.0 | nM | 8.52 |
| CHEMBL270437 | — | Ki | = | 3.1 | nM | 8.51 |
| CHEMBL176660 | — | Ki | = | 3.5 | nM | 8.46 |
| CHEMBL175497 | — | Ki | = | 3.7 | nM | 8.43 |
| CHEMBL368937 | — | Ki | = | 3.9 | nM | 8.41 |
| CHEMBL366902 | — | Ki | = | 3.9 | nM | 8.41 |
| CHEMBL369868 | — | Ki | = | 4.3 | nM | 8.37 |
| CHEMBL175620 | — | Ki | = | 4.4 | nM | 8.36 |
| CHEMBL179081 | — | Ki | = | 5.0 | nM | 8.30 |
| CHEMBL369008 | — | Ki | = | 5.3 | nM | 8.28 |
| CHEMBL175738 | — | Ki | = | 5.4 | nM | 8.27 |
| CHEMBL177769 | — | Ki | = | 6.0 | nM | 8.22 |
| CHEMBL366625 | — | Ki | = | 8.0 | nM | 8.10 |
| CHEMBL367647 | — | Ki | = | 8.3 | nM | 8.08 |
| CHEMBL273196 | EFEGATRAN | Ki | = | 9.1 | nM | 8.04 |
| CHEMBL176348 | — | Ki | = | 9.4 | nM | 8.03 |
| CHEMBL360751 | — | Ki | = | 9.3 | nM | 8.03 |
| CHEMBL414655 | — | Ki | = | 12.0 | nM | 7.92 |
| CHEMBL175735 | — | Ki | = | 13.0 | nM | 7.89 |
| CHEMBL361377 | — | Ki | = | 15.0 | nM | 7.82 |
| CHEMBL257898 | — | Ki | = | 16.0 | nM | 7.80 |
| CHEMBL176161 | — | Ki | = | 20.0 | nM | 7.70 |
| CHEMBL368894 | — | Ki | = | 22.0 | nM | 7.66 |
| CHEMBL179210 | — | Ki | = | 22.0 | nM | 7.66 |
| CHEMBL175464 | — | Ki | = | 26.0 | nM | 7.58 |
| CHEMBL360684 | — | Ki | = | 30.0 | nM | 7.52 |
| CHEMBL367890 | — | Ki | = | 31.0 | nM | 7.51 |
| CHEMBL435514 | — | Ki | = | 31.0 | nM | 7.51 |
| CHEMBL3084979 | — | Ki | = | 54.0 | nM | 7.27 |
| CHEMBL360542 | — | Ki | = | 57.0 | nM | 7.24 |
| CHEMBL404728 | — | Ki | = | 73.0 | nM | 7.14 |
| CHEMBL367973 | — | Ki | = | 87.0 | nM | 7.06 |
| CHEMBL2096761 | — | Ki | = | 210.0 | nM | 6.68 |
| CHEMBL180219 | — | Ki | = | 250.0 | nM | 6.60 |