Assay Detail
Binding
CHEMBL3864979
Review assay metadata, readout intent, target linkage, and publication context from the same page.
Inhibition of human recombinant DTT-activated caspase-5 expressed in Escherichia coli using Ac-WEHD-AMC as substrate preincubated for 30 mins followed by substrate addition by fluorescence assay
30
Total Activities
15
Compounds Tested
2
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Homo sapiens |
| Confidence | 9 — Direct single protein target |
| Curated By | Autocuration |
Publication
Variation of the aryl substituent on the piperazine ring within the 4-(piperazin-1-yl)-2,6-di(pyrrolidin-1-yl)pyrimidine scaffold unveils potent, non-competitive inhibitors of the inflammatory caspases.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 15 | 6.63 | 7.15 |
| Ki | 15 | 7.27 | 7.80 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL3949842 | — | — | 2 | 7.80 |
| CHEMBL3904435 | — | — | 2 | 7.62 |
| CHEMBL3970645 | — | — | 2 | 7.55 |
| CHEMBL3965572 | — | — | 2 | 7.47 |
| CHEMBL3941088 | — | — | 2 | 7.47 |
| CHEMBL3932441 | — | — | 2 | 7.39 |
| CHEMBL3905486 | — | — | 2 | 7.33 |
| CHEMBL3898411 | — | — | 2 | 7.32 |
| CHEMBL3895496 | — | — | 2 | 7.23 |
| CHEMBL3978901 | — | — | 2 | 7.23 |
| CHEMBL3898379 | — | — | 2 | 7.09 |
| CHEMBL3984293 | — | — | 2 | 7.00 |
| CHEMBL3939229 | — | — | 2 | 6.96 |
| CHEMBL3968765 | — | — | 2 | 6.87 |
| CHEMBL1412861 | — | — | 2 | 6.68 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL3949842 | — | Ki | = | 16.0 | nM | 7.80 |
| CHEMBL3904435 | — | Ki | = | 24.0 | nM | 7.62 |
| CHEMBL3970645 | — | Ki | = | 28.0 | nM | 7.55 |
| CHEMBL3941088 | — | Ki | = | 34.0 | nM | 7.47 |
| CHEMBL3965572 | — | Ki | = | 34.0 | nM | 7.47 |
| CHEMBL3932441 | — | Ki | = | 41.0 | nM | 7.39 |
| CHEMBL3905486 | — | Ki | = | 47.0 | nM | 7.33 |
| CHEMBL3898411 | — | Ki | = | 48.0 | nM | 7.32 |
| CHEMBL3978901 | — | Ki | = | 59.0 | nM | 7.23 |
| CHEMBL3895496 | — | Ki | = | 59.0 | nM | 7.23 |
| CHEMBL3949842 | — | IC50 | = | 71.0 | nM | 7.15 |
| CHEMBL3898379 | — | Ki | = | 81.0 | nM | 7.09 |
| CHEMBL3984293 | — | Ki | = | 99.0 | nM | 7.00 |
| CHEMBL3904435 | — | IC50 | = | 105.0 | nM | 6.98 |
| CHEMBL3939229 | — | Ki | = | 111.0 | nM | 6.96 |
| CHEMBL3970645 | — | IC50 | = | 123.0 | nM | 6.91 |
| CHEMBL3968765 | — | Ki | = | 135.0 | nM | 6.87 |
| CHEMBL3965572 | — | IC50 | = | 146.0 | nM | 6.84 |
| CHEMBL3941088 | — | IC50 | = | 149.0 | nM | 6.83 |
| CHEMBL3932441 | — | IC50 | = | 178.0 | nM | 6.75 |
| CHEMBL3905486 | — | IC50 | = | 205.0 | nM | 6.69 |
| CHEMBL1412861 | — | Ki | = | 210.0 | nM | 6.68 |
| CHEMBL3898411 | — | IC50 | = | 210.0 | nM | 6.68 |
| CHEMBL3895496 | — | IC50 | = | 254.0 | nM | 6.59 |
| CHEMBL3978901 | — | IC50 | = | 254.0 | nM | 6.59 |
| CHEMBL3898379 | — | IC50 | = | 350.0 | nM | 6.46 |
| CHEMBL3984293 | — | IC50 | = | 430.0 | nM | 6.37 |
| CHEMBL3939229 | — | IC50 | = | 482.0 | nM | 6.32 |
| CHEMBL3968765 | — | IC50 | = | 586.0 | nM | 6.23 |
| CHEMBL1412861 | — | IC50 | = | 910.0 | nM | 6.04 |