Assay Detail
Binding
CHEMBL4308355
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Inhibition of Trypanosoma cruzi cruzain using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins followed by susbtrate addition by fluorescence based analysis
27
Total Activities
27
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Trypanosoma cruzi |
| Confidence | 9 — Direct single protein target |
| Curated By | Autocuration |
Publication
Synthesis and structure-activity relationship of nitrile-based cruzain inhibitors incorporating a trifluoroethylamine-based P2 amide replacement.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Ki | 27 | 6.74 | 9.20 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL4565840 | — | — | 1 | 9.20 |
| CHEMBL4473385 | — | — | 1 | 8.80 |
| CHEMBL4451757 | — | — | 1 | 8.80 |
| CHEMBL4579894 | — | — | 1 | 8.10 |
| CHEMBL4519995 | — | — | 1 | 7.40 |
| CHEMBL4578891 | — | — | 1 | 7.30 |
| CHEMBL4442543 | — | — | 1 | 7.30 |
| CHEMBL4546133 | — | — | 1 | 7.20 |
| CHEMBL4543467 | — | — | 1 | 7.10 |
| CHEMBL481611 | ODANACATIB | 3.0 | 1 | 6.90 |
| CHEMBL4471896 | — | — | 1 | 6.70 |
| CHEMBL4591985 | — | — | 1 | 6.60 |
| CHEMBL4463665 | — | — | 1 | 6.50 |
| CHEMBL4455305 | — | — | 1 | 6.40 |
| CHEMBL4440148 | — | — | 1 | 6.40 |
| CHEMBL4544254 | — | — | 1 | 6.00 |
| CHEMBL4446278 | — | — | 1 | 5.70 |
| CHEMBL4580196 | — | — | 1 | 5.60 |
| CHEMBL4586752 | — | — | 1 | 5.60 |
| CHEMBL4514540 | — | — | 1 | 5.50 |
| CHEMBL4456233 | — | — | 1 | 5.40 |
| CHEMBL4439127 | — | — | 1 | 5.40 |
| CHEMBL4582238 | — | — | 1 | 5.10 |
| CHEMBL4441186 | — | — | 1 | - |
| CHEMBL4452562 | — | — | 1 | - |
| CHEMBL4535973 | — | — | 1 | - |
| CHEMBL4515535 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL4565840 | — | Ki | = | 0.631 | nM | 9.20 |
| CHEMBL4473385 | — | Ki | = | 1.585 | nM | 8.80 |
| CHEMBL4451757 | — | Ki | = | 1.585 | nM | 8.80 |
| CHEMBL4579894 | — | Ki | = | 7.943 | nM | 8.10 |
| CHEMBL4519995 | — | Ki | = | 39.81 | nM | 7.40 |
| CHEMBL4578891 | — | Ki | = | 50.12 | nM | 7.30 |
| CHEMBL4442543 | — | Ki | = | 50.12 | nM | 7.30 |
| CHEMBL4546133 | — | Ki | = | 63.1 | nM | 7.20 |
| CHEMBL4543467 | — | Ki | = | 79.43 | nM | 7.10 |
| CHEMBL481611 | ODANACATIB | Ki | = | 125.89 | nM | 6.90 |
| CHEMBL4471896 | — | Ki | = | 199.53 | nM | 6.70 |
| CHEMBL4591985 | — | Ki | = | 251.19 | nM | 6.60 |
| CHEMBL4463665 | — | Ki | = | 316.23 | nM | 6.50 |
| CHEMBL4455305 | — | Ki | = | 398.11 | nM | 6.40 |
| CHEMBL4440148 | — | Ki | = | 398.11 | nM | 6.40 |
| CHEMBL4544254 | — | Ki | = | 1000.0 | nM | 6.00 |
| CHEMBL4446278 | — | Ki | = | 1995.26 | nM | 5.70 |
| CHEMBL4580196 | — | Ki | = | 2511.89 | nM | 5.60 |
| CHEMBL4586752 | — | Ki | = | 2511.89 | nM | 5.60 |
| CHEMBL4514540 | — | Ki | = | 3162.28 | nM | 5.50 |
| CHEMBL4456233 | — | Ki | = | 3981.07 | nM | 5.40 |
| CHEMBL4439127 | — | Ki | = | 3981.07 | nM | 5.40 |
| CHEMBL4582238 | — | Ki | = | 7943.28 | nM | 5.10 |
| CHEMBL4441186 | — | Ki | > | 10000.0 | nM | - |
| CHEMBL4452562 | — | Ki | > | 10000.0 | nM | - |
| CHEMBL4535973 | — | Ki | > | 10000.0 | nM | - |
| CHEMBL4515535 | — | Ki | > | 10000.0 | nM | - |