Assay Detail
Binding
CHEMBL828520
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Inhibitory activity against recombinant human Caspase-3
30
Total Activities
28
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Homo sapiens |
| Confidence | 9 — Direct single protein target |
| Curated By | Expert |
Publication
Lipophilic versus hydrogen-bonding effect in P3 on potency and selectivity of valine aspartyl ketones as caspase 3 inhibitors.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 30 | 7.00 | 8.30 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL183379 | — | — | 1 | 8.30 |
| CHEMBL360880 | — | — | 1 | 8.05 |
| CHEMBL361111 | — | — | 1 | 7.92 |
| CHEMBL167071 | — | — | 1 | 7.89 |
| CHEMBL183619 | — | — | 1 | 7.80 |
| CHEMBL360046 | — | — | 1 | 7.80 |
| CHEMBL183109 | — | — | 2 | 7.77 |
| CHEMBL82932 | — | — | 2 | 7.75 |
| CHEMBL360690 | — | — | 1 | 7.54 |
| CHEMBL183760 | — | — | 1 | 7.39 |
| CHEMBL166513 | — | — | 1 | 7.28 |
| CHEMBL361397 | — | — | 1 | 7.10 |
| CHEMBL183564 | — | — | 1 | 7.07 |
| CHEMBL2096776 | — | — | 1 | 7.00 |
| CHEMBL182095 | — | — | 1 | 6.93 |
| CHEMBL182563 | — | — | 1 | 6.84 |
| CHEMBL359479 | — | — | 1 | 6.80 |
| CHEMBL182295 | — | — | 1 | 6.75 |
| CHEMBL182078 | — | — | 1 | 6.74 |
| CHEMBL181355 | — | — | 1 | 6.56 |
| CHEMBL367365 | — | — | 1 | 6.49 |
| CHEMBL362695 | — | — | 1 | 6.48 |
| CHEMBL360292 | — | — | 1 | 6.37 |
| CHEMBL180131 | — | — | 1 | 6.33 |
| CHEMBL354345 | — | — | 1 | 6.13 |
| CHEMBL183120 | — | — | 1 | 5.89 |
| CHEMBL183655 | — | — | 1 | 5.70 |
| CHEMBL182096 | — | — | 1 | 5.03 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL183379 | — | IC50 | = | 5.0 | nM | 8.30 |
| CHEMBL360880 | — | IC50 | = | 9.0 | nM | 8.05 |
| CHEMBL361111 | — | IC50 | = | 12.0 | nM | 7.92 |
| CHEMBL167071 | — | IC50 | = | 13.0 | nM | 7.89 |
| CHEMBL183619 | — | IC50 | = | 16.0 | nM | 7.80 |
| CHEMBL360046 | — | IC50 | = | 16.0 | nM | 7.80 |
| CHEMBL183109 | — | IC50 | = | 17.0 | nM | 7.77 |
| CHEMBL82932 | — | IC50 | = | 18.0 | nM | 7.75 |
| CHEMBL82932 | — | IC50 | = | 18.0 | nM | 7.75 |
| CHEMBL360690 | — | IC50 | = | 29.0 | nM | 7.54 |
| CHEMBL183760 | — | IC50 | = | 41.0 | nM | 7.39 |
| CHEMBL166513 | — | IC50 | = | 53.0 | nM | 7.28 |
| CHEMBL361397 | — | IC50 | = | 80.0 | nM | 7.10 |
| CHEMBL183564 | — | IC50 | = | 85.0 | nM | 7.07 |
| CHEMBL2096776 | — | IC50 | = | 100.0 | nM | 7.00 |
| CHEMBL182095 | — | IC50 | = | 118.0 | nM | 6.93 |
| CHEMBL182563 | — | IC50 | = | 146.0 | nM | 6.84 |
| CHEMBL359479 | — | IC50 | = | 160.0 | nM | 6.80 |
| CHEMBL182295 | — | IC50 | = | 176.0 | nM | 6.75 |
| CHEMBL182078 | — | IC50 | = | 181.0 | nM | 6.74 |
| CHEMBL181355 | — | IC50 | = | 274.0 | nM | 6.56 |
| CHEMBL367365 | — | IC50 | = | 323.0 | nM | 6.49 |
| CHEMBL362695 | — | IC50 | = | 330.0 | nM | 6.48 |
| CHEMBL183109 | — | IC50 | = | 341.0 | nM | 6.47 |
| CHEMBL360292 | — | IC50 | = | 425.0 | nM | 6.37 |
| CHEMBL180131 | — | IC50 | = | 467.0 | nM | 6.33 |
| CHEMBL354345 | — | IC50 | = | 746.0 | nM | 6.13 |
| CHEMBL183120 | — | IC50 | = | 1295.0 | nM | 5.89 |
| CHEMBL183655 | — | IC50 | = | 2020.0 | nM | 5.70 |
| CHEMBL182096 | — | IC50 | = | 9445.0 | nM | 5.03 |