Assay Detail
Binding
CHEMBL5583145
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Binding affinity to 6his-tagged CHIKV nsP2 (1009 to 1329 residues) extracted from Escherichia coli Rosetta2 (DE3) cells assessed as inhibition constant measured over 45 mins
18
Total Activities
18
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Chikungunya virus |
| Confidence | 8 — Homologous single protein target |
| Curated By | Autocuration |
Target
Polyprotein P1234 (CHEMBL4295622) ↗| Type | SINGLE PROTEIN |
| Organism | Chikungunya virus (strain S27-African prototype) (CHIKV) |
Publication
Structure Activity of β-Amidomethyl Vinyl Sulfones as Covalent Inhibitors of <i>Chikungunya</i> nsP2 Cysteine Protease with Antialphavirus Activity.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Ki | 18 | 6.36 | 7.40 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL5593311 | — | — | 1 | 7.40 |
| CHEMBL5592235 | — | — | 1 | 7.20 |
| CHEMBL5591218 | — | — | 1 | 7.20 |
| CHEMBL5594820 | — | — | 1 | 7.00 |
| CHEMBL5594389 | — | — | 1 | 6.70 |
| CHEMBL5594644 | — | — | 1 | 6.60 |
| CHEMBL5592413 | — | — | 1 | 6.50 |
| CHEMBL5590710 | — | — | 1 | 6.50 |
| CHEMBL5593604 | — | — | 1 | 6.50 |
| CHEMBL5593893 | — | — | 1 | 6.30 |
| CHEMBL5592232 | — | — | 1 | 6.20 |
| CHEMBL5595846 | — | — | 1 | 6.10 |
| CHEMBL5595202 | — | — | 1 | 6.10 |
| CHEMBL5592794 | — | — | 1 | 6.10 |
| CHEMBL5583848 | — | — | 1 | 5.80 |
| CHEMBL5583713 | — | — | 1 | 5.80 |
| CHEMBL5595857 | — | — | 1 | 5.70 |
| CHEMBL5594235 | — | — | 1 | 4.80 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL5593311 | — | Ki | = | 39.81 | nM | 7.40 |
| CHEMBL5592235 | — | Ki | = | 63.1 | nM | 7.20 |
| CHEMBL5591218 | — | Ki | = | 63.1 | nM | 7.20 |
| CHEMBL5594820 | — | Ki | = | 100.0 | nM | 7.00 |
| CHEMBL5594389 | — | Ki | = | 199.53 | nM | 6.70 |
| CHEMBL5594644 | — | Ki | = | 251.19 | nM | 6.60 |
| CHEMBL5592413 | — | Ki | = | 316.23 | nM | 6.50 |
| CHEMBL5590710 | — | Ki | = | 316.23 | nM | 6.50 |
| CHEMBL5593604 | — | Ki | = | 316.23 | nM | 6.50 |
| CHEMBL5593893 | — | Ki | = | 501.19 | nM | 6.30 |
| CHEMBL5592232 | — | Ki | = | 630.96 | nM | 6.20 |
| CHEMBL5595846 | — | Ki | = | 794.33 | nM | 6.10 |
| CHEMBL5595202 | — | Ki | = | 794.33 | nM | 6.10 |
| CHEMBL5592794 | — | Ki | = | 794.33 | nM | 6.10 |
| CHEMBL5583848 | — | Ki | = | 1584.89 | nM | 5.80 |
| CHEMBL5583713 | — | Ki | = | 1584.89 | nM | 5.80 |
| CHEMBL5595857 | — | Ki | = | 1995.26 | nM | 5.70 |
| CHEMBL5594235 | — | Ki | = | 15848.93 | nM | 4.80 |