Assay Detail
Binding
CHEMBL3887550
Review assay metadata, readout intent, target linkage, and publication context from the same page.
High-Throughput Screening Assay: To identify novel inhibitors of hepsin, the Chembridge DIVERSet 10,000 compound high-diversity library was screened using an assay based on the cleavage of the chromogenic peptide. In addition, the NINDS II library of 1040 compounds (MicroSource Discovery) was screened to identify hepsin inhibitors among established drugs and known bioactive molecules. Screens were performed in a 96-well format at a final compound concentration of 2 uM. To minimize false positives, positions 1 and 12 of each row contained DMSO/buffer controls. As a measure of reproducibility, the Z' score for this assay was 0.78 (Zhang et al., 1999 J Biomol Screen 4:67).
16
Total Activities
16
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Homo sapiens |
| Confidence | 8 — Homologous single protein target |
| Curated By | Autocuration |
Publication
Hepsin inhibitors
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 16 | 6.13 | 6.64 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL46469 | ANTHRALIN | 2.0 | 1 | 6.64 |
| CHEMBL3188992 | — | — | 1 | 6.55 |
| CHEMBL3933764 | — | — | 1 | 6.48 |
| CHEMBL1449583 | — | — | 1 | 6.46 |
| CHEMBL608 | PROBUCOL | 4.0 | 1 | 6.37 |
| CHEMBL3963713 | — | — | 1 | 6.24 |
| CHEMBL3983642 | — | — | 1 | 6.14 |
| CHEMBL3937216 | — | — | 1 | 6.12 |
| CHEMBL291278 | N-METHYL-D-ASPARTIC ACID (NMDA) | 2.0 | 1 | 6.12 |
| CHEMBL3891244 | — | — | 1 | 6.03 |
| CHEMBL3912774 | — | — | 1 | 6.01 |
| CHEMBL3922811 | — | — | 1 | 6.01 |
| CHEMBL3933172 | — | — | 1 | 5.88 |
| CHEMBL3928230 | — | — | 1 | 5.71 |
| CHEMBL1623 | MECLIZINE | 4.0 | 1 | 5.70 |
| CHEMBL3913828 | — | — | 1 | 5.64 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL46469 | ANTHRALIN | IC50 | = | 230.0 | nM | 6.64 |
| CHEMBL3188992 | — | IC50 | = | 280.0 | nM | 6.55 |
| CHEMBL3933764 | — | IC50 | = | 330.0 | nM | 6.48 |
| CHEMBL1449583 | — | IC50 | = | 350.0 | nM | 6.46 |
| CHEMBL608 | PROBUCOL | IC50 | = | 430.0 | nM | 6.37 |
| CHEMBL3963713 | — | IC50 | = | 570.0 | nM | 6.24 |
| CHEMBL3983642 | — | IC50 | = | 720.0 | nM | 6.14 |
| CHEMBL3937216 | — | IC50 | = | 760.0 | nM | 6.12 |
| CHEMBL291278 | N-METHYL-D-ASPARTIC ACID (NMDA) | IC50 | = | 750.0 | nM | 6.12 |
| CHEMBL3891244 | — | IC50 | = | 930.0 | nM | 6.03 |
| CHEMBL3912774 | — | IC50 | = | 980.0 | nM | 6.01 |
| CHEMBL3922811 | — | IC50 | = | 980.0 | nM | 6.01 |
| CHEMBL3933172 | — | IC50 | = | 1310.0 | nM | 5.88 |
| CHEMBL3928230 | — | IC50 | = | 1930.0 | nM | 5.71 |
| CHEMBL1623 | MECLIZINE | IC50 | = | 2020.0 | nM | 5.70 |
| CHEMBL3913828 | — | IC50 | = | 2310.0 | nM | 5.64 |