Assay Detail
Binding
CHEMBL815654
Review assay metadata, readout intent, target linkage, and publication context from the same page.
Binding affinity towards thrombin
88
Total Activities
88
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Confidence | 8 — Homologous single protein target |
| Curated By | Expert |
Publication
Three-dimensional quantitative structure-activity relationship analyses using comparative molecular field analysis and comparative molecular similarity indices analysis to elucidate selectivity differences of inhibitors binding to trypsin, thrombin, and factor Xa.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Ki | 88 | 6.65 | 8.48 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL323101 | — | — | 1 | 8.48 |
| CHEMBL145664 | — | — | 1 | 8.38 |
| CHEMBL358110 | — | — | 1 | 8.37 |
| CHEMBL344552 | — | — | 1 | 8.30 |
| CHEMBL358970 | — | — | 1 | 8.21 |
| CHEMBL141782 | — | — | 1 | 8.13 |
| CHEMBL318352 | — | — | 1 | 8.06 |
| CHEMBL342722 | — | — | 1 | 7.89 |
| CHEMBL357210 | — | — | 1 | 7.85 |
| CHEMBL358081 | — | — | 1 | 7.80 |
| CHEMBL343892 | — | — | 1 | 7.77 |
| CHEMBL1161247 | — | — | 1 | 7.75 |
| CHEMBL143594 | — | — | 1 | 7.72 |
| CHEMBL145630 | — | — | 1 | 7.68 |
| CHEMBL104815 | — | — | 1 | 7.64 |
| CHEMBL142417 | — | — | 1 | 7.58 |
| CHEMBL435621 | — | — | 1 | 7.58 |
| CHEMBL356348 | — | — | 1 | 7.58 |
| CHEMBL145206 | — | — | 1 | 7.52 |
| CHEMBL423195 | — | — | 1 | 7.50 |
| CHEMBL142241 | — | — | 1 | 7.47 |
| CHEMBL320512 | — | — | 1 | 7.44 |
| CHEMBL145108 | — | — | 1 | 7.43 |
| CHEMBL358366 | — | — | 1 | 7.43 |
| CHEMBL142447 | — | — | 1 | 7.38 |
| CHEMBL145148 | — | — | 1 | 7.38 |
| CHEMBL145211 | — | — | 1 | 7.28 |
| CHEMBL344283 | — | — | 1 | 7.24 |
| CHEMBL358526 | — | — | 1 | 7.23 |
| CHEMBL145504 | — | — | 1 | 7.19 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL323101 | — | Ki | = | 3.304 | nM | 8.48 |
| CHEMBL145664 | — | Ki | = | 4.169 | nM | 8.38 |
| CHEMBL358110 | — | Ki | = | 4.266 | nM | 8.37 |
| CHEMBL344552 | — | Ki | = | 5.0 | nM | 8.30 |
| CHEMBL358970 | — | Ki | = | 6.166 | nM | 8.21 |
| CHEMBL141782 | — | Ki | = | 7.413 | nM | 8.13 |
| CHEMBL318352 | — | Ki | = | 8.71 | nM | 8.06 |
| CHEMBL342722 | — | Ki | = | 13.0 | nM | 7.89 |
| CHEMBL357210 | — | Ki | = | 14.13 | nM | 7.85 |
| CHEMBL358081 | — | Ki | = | 16.0 | nM | 7.80 |
| CHEMBL343892 | — | Ki | = | 16.98 | nM | 7.77 |
| CHEMBL1161247 | — | Ki | = | 17.99 | nM | 7.75 |
| CHEMBL143594 | — | Ki | = | 19.01 | nM | 7.72 |
| CHEMBL145630 | — | Ki | = | 20.99 | nM | 7.68 |
| CHEMBL104815 | — | Ki | = | 23.01 | nM | 7.64 |
| CHEMBL142417 | — | Ki | = | 26.0 | nM | 7.58 |
| CHEMBL356348 | — | Ki | = | 26.0 | nM | 7.58 |
| CHEMBL435621 | — | Ki | = | 26.0 | nM | 7.58 |
| CHEMBL145206 | — | Ki | = | 29.99 | nM | 7.52 |
| CHEMBL423195 | — | Ki | = | 31.99 | nM | 7.50 |
| CHEMBL142241 | — | Ki | = | 33.96 | nM | 7.47 |
| CHEMBL320512 | — | Ki | = | 35.97 | nM | 7.44 |
| CHEMBL145108 | — | Ki | = | 36.98 | nM | 7.43 |
| CHEMBL358366 | — | Ki | = | 36.98 | nM | 7.43 |
| CHEMBL145148 | — | Ki | = | 41.98 | nM | 7.38 |
| CHEMBL142447 | — | Ki | = | 41.98 | nM | 7.38 |
| CHEMBL145211 | — | Ki | = | 52.0 | nM | 7.28 |
| CHEMBL344283 | — | Ki | = | 57.94 | nM | 7.24 |
| CHEMBL358526 | — | Ki | = | 59.02 | nM | 7.23 |
| CHEMBL145504 | — | Ki | = | 64.57 | nM | 7.19 |
| CHEMBL423555 | — | Ki | = | 69.18 | nM | 7.16 |
| CHEMBL145741 | — | Ki | = | 74.13 | nM | 7.13 |
| CHEMBL143067 | — | Ki | = | 88.92 | nM | 7.05 |
| CHEMBL357660 | — | Ki | = | 95.94 | nM | 7.02 |
| CHEMBL344790 | — | Ki | = | 109.65 | nM | 6.96 |
| CHEMBL356711 | — | Ki | = | 119.95 | nM | 6.92 |
| CHEMBL1161248 | — | Ki | = | 119.95 | nM | 6.92 |
| CHEMBL444601 | — | Ki | = | 119.95 | nM | 6.92 |
| CHEMBL145517 | — | Ki | = | 151.36 | nM | 6.82 |
| CHEMBL342542 | — | Ki | = | 151.36 | nM | 6.82 |
| CHEMBL143205 | — | Ki | = | 159.96 | nM | 6.80 |
| CHEMBL356295 | — | Ki | = | 169.82 | nM | 6.77 |
| CHEMBL145655 | — | Ki | = | 179.89 | nM | 6.75 |
| CHEMBL145795 | — | Ki | = | 199.99 | nM | 6.70 |
| CHEMBL358077 | — | Ki | = | 209.89 | nM | 6.68 |
| CHEMBL344104 | — | Ki | = | 230.14 | nM | 6.64 |
| CHEMBL343254 | — | Ki | = | 230.14 | nM | 6.64 |
| CHEMBL142312 | — | Ki | = | 260.02 | nM | 6.58 |
| CHEMBL1161253 | — | Ki | = | 260.02 | nM | 6.58 |
| CHEMBL142924 | — | Ki | = | 279.9 | nM | 6.55 |