Assay Detail
Binding
CHEMBL814535
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Binding affinity towards human thrombin.
22
Total Activities
22
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Confidence | 8 — Homologous single protein target |
| Curated By | Expert |
Publication
Generation of ligand conformations in continuum solvent consistent with protein active site topology: application to thrombin.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Ki | 22 | 6.49 | 8.40 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL279070 | — | — | 1 | 8.40 |
| CHEMBL286529 | — | — | 1 | 8.30 |
| CHEMBL25522 | — | — | 1 | 8.22 |
| CHEMBL24097 | — | — | 1 | 7.60 |
| CHEMBL26452 | — | — | 1 | 7.40 |
| CHEMBL24403 | — | — | 1 | 7.30 |
| CHEMBL282549 | — | — | 1 | 7.20 |
| CHEMBL25118 | — | — | 1 | 6.80 |
| CHEMBL283011 | — | — | 1 | 6.57 |
| CHEMBL23813 | — | — | 1 | 6.50 |
| CHEMBL25188 | — | — | 1 | 6.50 |
| CHEMBL25246 | — | — | 1 | 6.50 |
| CHEMBL26244 | — | — | 1 | 6.20 |
| CHEMBL23252 | — | — | 1 | 6.20 |
| CHEMBL24830 | — | — | 1 | 6.01 |
| CHEMBL282014 | — | — | 1 | 5.91 |
| CHEMBL24192 | — | — | 1 | 5.80 |
| CHEMBL25540 | — | — | 1 | 5.80 |
| CHEMBL431897 | — | — | 1 | 5.70 |
| CHEMBL24817 | — | — | 1 | 5.40 |
| CHEMBL25699 | — | — | 1 | 4.51 |
| CHEMBL24713 | — | — | 1 | 4.05 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL279070 | — | Ki | = | 4.0 | nM | 8.40 |
| CHEMBL286529 | — | Ki | = | 5.0 | nM | 8.30 |
| CHEMBL25522 | — | Ki | = | 6.0 | nM | 8.22 |
| CHEMBL24097 | — | Ki | = | 25.0 | nM | 7.60 |
| CHEMBL26452 | — | Ki | = | 40.0 | nM | 7.40 |
| CHEMBL24403 | — | Ki | = | 50.0 | nM | 7.30 |
| CHEMBL282549 | — | Ki | = | 63.0 | nM | 7.20 |
| CHEMBL25118 | — | Ki | = | 158.0 | nM | 6.80 |
| CHEMBL283011 | — | Ki | = | 270.0 | nM | 6.57 |
| CHEMBL23813 | — | Ki | = | 316.0 | nM | 6.50 |
| CHEMBL25188 | — | Ki | = | 316.0 | nM | 6.50 |
| CHEMBL25246 | — | Ki | = | 316.0 | nM | 6.50 |
| CHEMBL26244 | — | Ki | = | 631.0 | nM | 6.20 |
| CHEMBL23252 | — | Ki | = | 631.0 | nM | 6.20 |
| CHEMBL24830 | — | Ki | = | 970.0 | nM | 6.01 |
| CHEMBL282014 | — | Ki | = | 1230.0 | nM | 5.91 |
| CHEMBL24192 | — | Ki | = | 1585.0 | nM | 5.80 |
| CHEMBL25540 | — | Ki | = | 1585.0 | nM | 5.80 |
| CHEMBL431897 | — | Ki | = | 1995.0 | nM | 5.70 |
| CHEMBL24817 | — | Ki | = | 4000.0 | nM | 5.40 |
| CHEMBL25699 | — | Ki | = | 30700.0 | nM | 4.51 |
| CHEMBL24713 | — | Ki | = | 90000.0 | nM | 4.05 |