Assay Detail
Binding
CHEMBL5737478
Review assay metadata, readout intent, target linkage, and publication context from the same page.
In Vitro Assays: Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Baker or Fisher Scientific). Determinations were made using purified human Factor XIa at a final concentration of 25-200 pM (Haematologic Technologies) and the synthetic substrate S-2366 (pyroGlu-Pro-Arg-pNA; CHROMOGENIX® or AnaSpec) at a concentration of 0.0002-0.001 M.
231
Total Activities
77
Compounds Tested
3
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Homo sapiens |
| Confidence | 9 — Direct single protein target |
| Curated By | Autocuration |
Publication
Macrocycles as factor XIA inhibitors
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Ki | 77 | 6.54 | 8.22 |
| kon | 77 | - | - |
| k_off | 77 | - | - |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL3699163 | — | — | 3 | 8.22 |
| CHEMBL6013993 | — | — | 3 | 8.18 |
| CHEMBL3971545 | — | — | 3 | 8.05 |
| CHEMBL3699186 | — | — | 3 | 8.05 |
| CHEMBL3699190 | — | — | 3 | 7.72 |
| CHEMBL3699173 | — | — | 3 | 7.70 |
| CHEMBL5784236 | — | — | 3 | 7.68 |
| CHEMBL5946062 | — | — | 3 | 7.68 |
| CHEMBL3699195 | — | — | 3 | 7.64 |
| CHEMBL3699177 | — | — | 3 | 7.62 |
| CHEMBL3933916 | — | — | 3 | 7.60 |
| CHEMBL3965574 | — | — | 3 | 7.54 |
| CHEMBL3699161 | — | — | 3 | 7.47 |
| CHEMBL3699164 | — | — | 3 | 7.02 |
| CHEMBL6067903 | — | — | 3 | 6.99 |
| CHEMBL3699194 | — | — | 3 | 6.96 |
| CHEMBL3699185 | — | — | 3 | 6.88 |
| CHEMBL3971572 | — | — | 3 | 6.80 |
| CHEMBL5784496 | — | — | 3 | 6.74 |
| CHEMBL3699172 | — | — | 3 | 6.72 |
| CHEMBL5777299 | — | — | 3 | 6.69 |
| CHEMBL3699203 | — | — | 3 | 6.66 |
| CHEMBL3699162 | — | — | 3 | 6.60 |
| CHEMBL5789977 | — | — | 3 | 6.57 |
| CHEMBL4634088 | — | — | 3 | 6.54 |
| CHEMBL3699218 | — | — | 3 | 6.53 |
| CHEMBL6020799 | — | — | 3 | 6.51 |
| CHEMBL3699206 | — | — | 3 | 6.46 |
| CHEMBL5919192 | — | — | 3 | 6.36 |
| CHEMBL3699184 | — | — | 3 | 6.34 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL3699163 | — | Ki | = | 6.0 | nM | 8.22 |
| CHEMBL6013993 | — | Ki | = | 6.6 | nM | 8.18 |
| CHEMBL3971545 | — | Ki | = | 9.0 | nM | 8.05 |
| CHEMBL3699186 | — | Ki | = | 9.0 | nM | 8.05 |
| CHEMBL3699190 | — | Ki | = | 19.0 | nM | 7.72 |
| CHEMBL3699173 | — | Ki | = | 20.0 | nM | 7.70 |
| CHEMBL5784236 | — | Ki | = | 21.0 | nM | 7.68 |
| CHEMBL5946062 | — | Ki | = | 21.0 | nM | 7.68 |
| CHEMBL3699195 | — | Ki | = | 23.0 | nM | 7.64 |
| CHEMBL3699177 | — | Ki | = | 24.0 | nM | 7.62 |
| CHEMBL3933916 | — | Ki | = | 25.0 | nM | 7.60 |
| CHEMBL3965574 | — | Ki | = | 29.0 | nM | 7.54 |
| CHEMBL3699161 | — | Ki | = | 34.0 | nM | 7.47 |
| CHEMBL3699164 | — | Ki | = | 96.0 | nM | 7.02 |
| CHEMBL6067903 | — | Ki | = | 102.0 | nM | 6.99 |
| CHEMBL3699194 | — | Ki | = | 111.0 | nM | 6.96 |
| CHEMBL3699185 | — | Ki | = | 133.0 | nM | 6.88 |
| CHEMBL3971572 | — | Ki | = | 157.0 | nM | 6.80 |
| CHEMBL5784496 | — | Ki | = | 183.0 | nM | 6.74 |
| CHEMBL3699172 | — | Ki | = | 192.0 | nM | 6.72 |
| CHEMBL5777299 | — | Ki | = | 203.0 | nM | 6.69 |
| CHEMBL3699203 | — | Ki | = | 217.0 | nM | 6.66 |
| CHEMBL3699162 | — | Ki | = | 249.0 | nM | 6.60 |
| CHEMBL5789977 | — | Ki | = | 270.0 | nM | 6.57 |
| CHEMBL4634088 | — | Ki | = | 289.0 | nM | 6.54 |
| CHEMBL3699218 | — | Ki | = | 296.0 | nM | 6.53 |
| CHEMBL6020799 | — | Ki | = | 311.0 | nM | 6.51 |
| CHEMBL3699206 | — | Ki | = | 351.0 | nM | 6.46 |
| CHEMBL5919192 | — | Ki | = | 435.0 | nM | 6.36 |
| CHEMBL3699184 | — | Ki | = | 456.0 | nM | 6.34 |
| CHEMBL3699213 | — | Ki | = | 580.0 | nM | 6.24 |
| CHEMBL5925086 | — | Ki | = | 572.0 | nM | 6.24 |
| CHEMBL5841813 | — | Ki | = | 616.0 | nM | 6.21 |
| CHEMBL3947448 | — | Ki | = | 636.0 | nM | 6.20 |
| CHEMBL3699228 | — | Ki | = | 675.0 | nM | 6.17 |
| CHEMBL5846704 | — | Ki | = | 736.0 | nM | 6.13 |
| CHEMBL3699196 | — | Ki | = | 938.0 | nM | 6.03 |
| CHEMBL5753195 | — | Ki | = | 947.0 | nM | 6.02 |
| CHEMBL3944908 | — | Ki | = | 962.0 | nM | 6.02 |
| CHEMBL5932125 | — | Ki | = | 1057.0 | nM | 5.98 |
| CHEMBL3699215 | — | Ki | = | 1322.0 | nM | 5.88 |
| CHEMBL6043454 | — | Ki | = | 1652.0 | nM | 5.78 |
| CHEMBL3699187 | — | Ki | = | 1745.0 | nM | 5.76 |
| CHEMBL3699202 | — | Ki | = | 1872.0 | nM | 5.73 |
| CHEMBL3978236 | — | Ki | = | 2171.0 | nM | 5.66 |
| CHEMBL3699205 | — | Ki | = | 2920.0 | nM | 5.54 |
| CHEMBL3699181 | — | Ki | = | 2979.0 | nM | 5.53 |
| CHEMBL6051702 | — | Ki | = | 2983.0 | nM | 5.53 |
| CHEMBL3699217 | — | Ki | = | 3869.0 | nM | 5.41 |
| CHEMBL5889956 | — | Ki | = | 3851.0 | nM | 5.41 |