Assay Detail
Binding
CHEMBL5733783
Review assay metadata, readout intent, target linkage, and publication context from the same page.
Inhibition Assay: The NOSs isoform assays involved subjecting 3-8 to an oxyhemoglobin NO capture assay using a Biotek Gen5 microplate reader. IC50 values for each compound were determined in duplicate or triplicate using dose-response curves with nine concentration points (1 pM-3 mM). The standard deviation of the assays were less than 15% with nNOS or iNOS, and less than 25% with eNOS. The inhibition constants (Ki) of these compounds were determined from the IC50 and Km values (rat nNOS=1.3 μM; murine iNOS=8.2 μM; bovine eNOS=1.7 μM) for all three NOS isoforms using the following relationship: Ki=IC50/(1+[S]/KM).The selectivity of antagonism of nNOS relative to iNOS or eNOS was determined by calculating the ratios of the Ki values with iNOS or eNOS to those with nNOS. Compounds 3-8, having various amino functional groups, were found to have moderate to excellent selectivity (50-2822 of e/n, 36-273 of i/n) and moderate to good binding affinity (24-4370 nM) to nNOS.
105
Total Activities
35
Compounds Tested
3
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Homo sapiens |
| Confidence | 9 — Direct single protein target |
| Curated By | Autocuration |
Publication
Mammalian and bacterial nitric oxide synthase inhibitors
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Ki | 35 | 5.19 | 6.17 |
| kon | 35 | - | - |
| k_off | 35 | - | - |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL1766633 | — | — | 3 | 6.17 |
| CHEMBL1615288 | — | — | 3 | 5.84 |
| CHEMBL3262022 | — | — | 3 | 5.72 |
| CHEMBL3586661 | — | — | 3 | 5.67 |
| CHEMBL3262024 | — | — | 3 | 5.55 |
| CHEMBL3586658 | — | — | 3 | 5.54 |
| CHEMBL5788338 | — | — | 3 | 5.48 |
| CHEMBL5916272 | — | — | 3 | 5.45 |
| CHEMBL3586664 | — | — | 3 | 5.43 |
| CHEMBL3262025 | — | — | 3 | 5.36 |
| CHEMBL3586659 | — | — | 3 | 5.33 |
| CHEMBL1615290 | — | — | 3 | 5.32 |
| CHEMBL3586660 | — | — | 3 | 5.32 |
| CHEMBL5801236 | — | — | 3 | 5.30 |
| CHEMBL3586656 | — | — | 3 | 5.27 |
| CHEMBL5939111 | — | — | 3 | 5.26 |
| CHEMBL3586663 | — | — | 3 | 5.25 |
| CHEMBL3262019 | — | — | 3 | 5.22 |
| CHEMBL5852639 | — | — | 3 | 5.20 |
| CHEMBL3262026 | — | — | 3 | 5.18 |
| CHEMBL3586662 | — | — | 3 | 5.09 |
| CHEMBL5755631 | — | — | 3 | 5.08 |
| CHEMBL5826642 | — | — | 3 | 5.02 |
| CHEMBL5777886 | — | — | 3 | 4.96 |
| CHEMBL5929604 | — | — | 3 | 4.96 |
| CHEMBL6038257 | — | — | 3 | 4.94 |
| CHEMBL5905291 | — | — | 3 | 4.87 |
| CHEMBL3262018 | — | — | 3 | 4.81 |
| CHEMBL3262017 | — | — | 3 | 4.75 |
| CHEMBL3262023 | — | — | 3 | 4.75 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL1766633 | — | Ki | = | 682.0 | nM | 6.17 |
| CHEMBL1615288 | — | Ki | = | 1450.0 | nM | 5.84 |
| CHEMBL3262022 | — | Ki | = | 1894.0 | nM | 5.72 |
| CHEMBL3586661 | — | Ki | = | 2152.0 | nM | 5.67 |
| CHEMBL3262024 | — | Ki | = | 2810.0 | nM | 5.55 |
| CHEMBL3586658 | — | Ki | = | 2900.0 | nM | 5.54 |
| CHEMBL5788338 | — | Ki | = | 3314.0 | nM | 5.48 |
| CHEMBL5916272 | — | Ki | = | 3514.0 | nM | 5.45 |
| CHEMBL3586664 | — | Ki | = | 3669.0 | nM | 5.43 |
| CHEMBL3262025 | — | Ki | = | 4386.0 | nM | 5.36 |
| CHEMBL3586659 | — | Ki | = | 4640.0 | nM | 5.33 |
| CHEMBL3586660 | — | Ki | = | 4845.0 | nM | 5.32 |
| CHEMBL1615290 | — | Ki | = | 4750.0 | nM | 5.32 |
| CHEMBL5801236 | — | Ki | = | 5043.0 | nM | 5.30 |
| CHEMBL3586656 | — | Ki | = | 5340.0 | nM | 5.27 |
| CHEMBL5939111 | — | Ki | = | 5430.0 | nM | 5.26 |
| CHEMBL3586663 | — | Ki | = | 5559.0 | nM | 5.25 |
| CHEMBL3262019 | — | Ki | = | 5990.0 | nM | 5.22 |
| CHEMBL5852639 | — | Ki | = | 6381.0 | nM | 5.20 |
| CHEMBL3262026 | — | Ki | = | 6629.0 | nM | 5.18 |
| CHEMBL3586662 | — | Ki | = | 8134.0 | nM | 5.09 |
| CHEMBL5755631 | — | Ki | = | 8328.0 | nM | 5.08 |
| CHEMBL5826642 | — | Ki | = | 9562.0 | nM | 5.02 |
| CHEMBL5777886 | — | Ki | = | 10978.0 | nM | 4.96 |
| CHEMBL5929604 | — | Ki | = | 10892.0 | nM | 4.96 |
| CHEMBL6038257 | — | Ki | = | 11469.0 | nM | 4.94 |
| CHEMBL5905291 | — | Ki | = | 13511.0 | nM | 4.87 |
| CHEMBL3262018 | — | Ki | = | 15620.0 | nM | 4.81 |
| CHEMBL3262017 | — | Ki | = | 17670.0 | nM | 4.75 |
| CHEMBL3262023 | — | Ki | = | 17916.0 | nM | 4.75 |
| CHEMBL5989313 | — | Ki | = | 27992.0 | nM | 4.55 |
| CHEMBL6014794 | — | Ki | = | 45110.0 | nM | 4.35 |
| CHEMBL5868479 | — | Ki | = | 45300.0 | nM | 4.34 |
| CHEMBL3262025 | — | k_off | = | - | s-1 | - |
| CHEMBL1615290 | — | kon | = | - | — | - |
| CHEMBL1766633 | — | k_off | = | - | s-1 | - |
| CHEMBL1766633 | — | kon | = | - | — | - |
| CHEMBL1615288 | — | k_off | = | - | s-1 | - |
| CHEMBL1615288 | — | kon | = | - | — | - |
| CHEMBL1615290 | — | k_off | = | - | s-1 | - |
| CHEMBL3262020 | — | Ki | > | 100000.0 | nM | - |
| CHEMBL3262019 | — | k_off | = | - | s-1 | - |
| CHEMBL3262019 | — | kon | = | - | — | - |
| CHEMBL3262018 | — | k_off | = | - | s-1 | - |
| CHEMBL3262018 | — | kon | = | - | — | - |
| CHEMBL3262017 | — | k_off | = | - | s-1 | - |
| CHEMBL3262017 | — | kon | = | - | — | - |
| CHEMBL5905291 | — | k_off | = | - | s-1 | - |
| CHEMBL5905291 | — | kon | = | - | — | - |
| CHEMBL3262022 | — | k_off | = | - | s-1 | - |