Assay Detail
Binding
CHEMBL4200192
Review assay metadata, readout intent, target linkage, and publication context from the same page.
Inhibition of human SMS2 using C6-NBD-ceramide and DMPC as substrate preincubated for 5 mins followed by substrate addition and measured after 30 mins by HPLC analysis
31
Total Activities
31
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Homo sapiens |
| Confidence | 9 — Direct single protein target |
| Curated By | Autocuration |
Target
Phosphatidylcholine:ceramide cholinephosphotransferase 2 (CHEMBL3112379) ↗| Type | SINGLE PROTEIN |
| Organism | Homo sapiens |
Publication
Discovery of 4-Benzyloxybenzo[ d]isoxazole-3-amine Derivatives as Highly Selective and Orally Efficacious Human Sphingomyelin Synthase 2 Inhibitors that Reduce Chronic Inflammation in db/ db Mice.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 31 | 6.33 | 7.05 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL4203399 | — | — | 1 | 7.05 |
| CHEMBL4204352 | — | — | 1 | 7.00 |
| CHEMBL4214637 | — | — | 1 | 7.00 |
| CHEMBL4207944 | — | — | 1 | 6.96 |
| CHEMBL4202436 | — | — | 1 | 6.82 |
| CHEMBL4206801 | — | — | 1 | 6.80 |
| CHEMBL4205965 | — | — | 1 | 6.72 |
| CHEMBL4211357 | — | — | 1 | 6.62 |
| CHEMBL4217275 | — | — | 1 | 6.62 |
| CHEMBL4202973 | — | — | 1 | 6.57 |
| CHEMBL4212291 | — | — | 1 | 6.47 |
| CHEMBL4217676 | — | — | 1 | 6.33 |
| CHEMBL4216327 | — | — | 1 | 6.28 |
| CHEMBL4211679 | — | — | 1 | 6.17 |
| CHEMBL4210244 | — | — | 1 | 6.13 |
| CHEMBL4203583 | — | — | 1 | 6.02 |
| CHEMBL4217259 | — | — | 1 | 5.92 |
| CHEMBL4212845 | — | — | 1 | 5.89 |
| CHEMBL4205041 | — | — | 1 | 5.82 |
| CHEMBL4215175 | — | — | 1 | 5.77 |
| CHEMBL4204126 | — | — | 1 | 5.36 |
| CHEMBL4207927 | — | — | 1 | 5.04 |
| CHEMBL4208270 | — | — | 1 | - |
| CHEMBL4215792 | — | — | 1 | - |
| CHEMBL4207322 | — | — | 1 | - |
| CHEMBL4208469 | — | — | 1 | - |
| CHEMBL4208447 | — | — | 1 | - |
| CHEMBL4212831 | — | — | 1 | - |
| CHEMBL4212313 | — | — | 1 | - |
| CHEMBL4216023 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL4203399 | — | IC50 | = | 90.0 | nM | 7.05 |
| CHEMBL4204352 | — | IC50 | = | 100.0 | nM | 7.00 |
| CHEMBL4214637 | — | IC50 | = | 100.0 | nM | 7.00 |
| CHEMBL4207944 | — | IC50 | = | 110.0 | nM | 6.96 |
| CHEMBL4202436 | — | IC50 | = | 150.0 | nM | 6.82 |
| CHEMBL4206801 | — | IC50 | = | 160.0 | nM | 6.80 |
| CHEMBL4205965 | — | IC50 | = | 190.0 | nM | 6.72 |
| CHEMBL4211357 | — | IC50 | = | 240.0 | nM | 6.62 |
| CHEMBL4217275 | — | IC50 | = | 240.0 | nM | 6.62 |
| CHEMBL4202973 | — | IC50 | = | 270.0 | nM | 6.57 |
| CHEMBL4212291 | — | IC50 | = | 340.0 | nM | 6.47 |
| CHEMBL4217676 | — | IC50 | = | 470.0 | nM | 6.33 |
| CHEMBL4216327 | — | IC50 | = | 520.0 | nM | 6.28 |
| CHEMBL4211679 | — | IC50 | = | 670.0 | nM | 6.17 |
| CHEMBL4210244 | — | IC50 | = | 740.0 | nM | 6.13 |
| CHEMBL4203583 | — | IC50 | = | 960.0 | nM | 6.02 |
| CHEMBL4217259 | — | IC50 | = | 1200.0 | nM | 5.92 |
| CHEMBL4212845 | — | IC50 | = | 1300.0 | nM | 5.89 |
| CHEMBL4205041 | — | IC50 | = | 1500.0 | nM | 5.82 |
| CHEMBL4215175 | — | IC50 | = | 1700.0 | nM | 5.77 |
| CHEMBL4204126 | — | IC50 | = | 4400.0 | nM | 5.36 |
| CHEMBL4207927 | — | IC50 | = | 9100.0 | nM | 5.04 |
| CHEMBL4208270 | — | IC50 | > | 10000.0 | nM | - |
| CHEMBL4215792 | — | IC50 | > | 10000.0 | nM | - |
| CHEMBL4207322 | — | IC50 | > | 10000.0 | nM | - |
| CHEMBL4208469 | — | IC50 | > | 10000.0 | nM | - |
| CHEMBL4208447 | — | IC50 | > | 10000.0 | nM | - |
| CHEMBL4212831 | — | IC50 | > | 10000.0 | nM | - |
| CHEMBL4212313 | — | IC50 | > | 10000.0 | nM | - |
| CHEMBL4216023 | — | IC50 | > | 10000.0 | nM | - |
| CHEMBL4216548 | — | IC50 | > | 10000.0 | nM | - |