Assay Detail
Binding
CHEMBL3706376
Review assay metadata, readout intent, target linkage, and publication context from the same page.
Enzyme Inhibition Assay: Recombinant NOS isozymes over-expressed in E. coli were utilized. (Ji, H., et al., Discovery of highly potent and selective inhibitors of neuronal nitric oxide synthase by fragment hopping. J. Med. Chem., 2009. 52(3): p. 779-97; Ji, H., et al., Exploration of the active site of neuronal nitric oxide synthase by the design and synthesis of pyrrolidinomethyl 2-aminopyridine derivatives. J. Med. Chem., 2010. 53(21): p. 7804-24.). Relative enzyme inhibition activity [%] vs. Log (inhibitor concentration [M]) correlation was analyzed by Prism using nonlinear regression method to generate IC50 value. The Ki value was calculated by IC50=Ki(1+[S]/Km).
8
Total Activities
8
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 |
Publication
Specific nNOS inhibitors for the therapy and prevention of human melanoma
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Ki | 8 | 6.76 | 7.85 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL594682 | — | — | 1 | 7.85 |
| CHEMBL1233715 | — | — | 1 | 7.75 |
| CHEMBL1187747 | — | — | 1 | 7.62 |
| CHEMBL1186876 | — | — | 1 | 7.01 |
| CHEMBL1186802 | — | — | 1 | 6.68 |
| CHEMBL1277786 | — | — | 1 | 6.06 |
| CHEMBL3701182 | — | — | 1 | 4.32 |
| CHEMBL474637 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL594682 | — | Ki | = | 14.0 | nM | 7.85 |
| CHEMBL1233715 | — | Ki | = | 17.7 | nM | 7.75 |
| CHEMBL1187747 | — | Ki | = | 24.0 | nM | 7.62 |
| CHEMBL1186876 | — | Ki | = | 98.0 | nM | 7.01 |
| CHEMBL1186802 | — | Ki | = | 210.0 | nM | 6.68 |
| CHEMBL1277786 | — | Ki | = | 880.0 | nM | 6.06 |
| CHEMBL3701182 | — | Ki | = | 48000.0 | nM | 4.32 |
| CHEMBL474637 | — | Ki | = | 85.0 | nM | - |