Assay Detail
Binding
CHEMBL5733784
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.
102
Total Activities
34
Compounds Tested
3
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Confidence | 0 — Uncurated / Unknown |
| Curated By | Autocuration |
Publication
Mammalian and bacterial nitric oxide synthase inhibitors
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Ki | 34 | 4.91 | 5.85 |
| kon | 34 | - | - |
| k_off | 34 | - | - |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL1766633 | — | — | 3 | 5.85 |
| CHEMBL1615288 | — | — | 3 | 5.57 |
| CHEMBL3262019 | — | — | 3 | 5.44 |
| CHEMBL5801236 | — | — | 3 | 5.37 |
| CHEMBL3262022 | — | — | 3 | 5.32 |
| CHEMBL5916272 | — | — | 3 | 5.32 |
| CHEMBL5905291 | — | — | 3 | 5.31 |
| CHEMBL5929604 | — | — | 3 | 5.21 |
| CHEMBL5826642 | — | — | 3 | 5.15 |
| CHEMBL5755631 | — | — | 3 | 5.10 |
| CHEMBL1615290 | — | — | 3 | 5.03 |
| CHEMBL5788338 | — | — | 3 | 5.02 |
| CHEMBL5777886 | — | — | 3 | 4.99 |
| CHEMBL3586659 | — | — | 3 | 4.97 |
| CHEMBL3586658 | — | — | 3 | 4.97 |
| CHEMBL3586661 | — | — | 3 | 4.89 |
| CHEMBL3262018 | — | — | 3 | 4.84 |
| CHEMBL3262024 | — | — | 3 | 4.80 |
| CHEMBL3586662 | — | — | 3 | 4.80 |
| CHEMBL5852639 | — | — | 3 | 4.75 |
| CHEMBL3586660 | — | — | 3 | 4.75 |
| CHEMBL3262025 | — | — | 3 | 4.71 |
| CHEMBL3586656 | — | — | 3 | 4.69 |
| CHEMBL5939111 | — | — | 3 | 4.62 |
| CHEMBL3586664 | — | — | 3 | 4.60 |
| CHEMBL3586663 | — | — | 3 | 4.52 |
| CHEMBL5989313 | — | — | 3 | 4.51 |
| CHEMBL6038257 | — | — | 3 | 4.42 |
| CHEMBL6014794 | — | — | 3 | 4.40 |
| CHEMBL3262026 | — | — | 3 | 4.16 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL1766633 | — | Ki | = | 1410.0 | nM | 5.85 |
| CHEMBL1615288 | — | Ki | = | 2680.0 | nM | 5.57 |
| CHEMBL3262019 | — | Ki | = | 3610.0 | nM | 5.44 |
| CHEMBL5801236 | — | Ki | = | 4288.0 | nM | 5.37 |
| CHEMBL5916272 | — | Ki | = | 4836.0 | nM | 5.32 |
| CHEMBL3262022 | — | Ki | = | 4770.0 | nM | 5.32 |
| CHEMBL5905291 | — | Ki | = | 4892.0 | nM | 5.31 |
| CHEMBL5929604 | — | Ki | = | 6212.0 | nM | 5.21 |
| CHEMBL5826642 | — | Ki | = | 7075.0 | nM | 5.15 |
| CHEMBL5755631 | — | Ki | = | 7890.0 | nM | 5.10 |
| CHEMBL1615290 | — | Ki | = | 9400.0 | nM | 5.03 |
| CHEMBL5788338 | — | Ki | = | 9582.0 | nM | 5.02 |
| CHEMBL5777886 | — | Ki | = | 10270.0 | nM | 4.99 |
| CHEMBL3586659 | — | Ki | = | 10680.0 | nM | 4.97 |
| CHEMBL3586658 | — | Ki | = | 10675.0 | nM | 4.97 |
| CHEMBL3586661 | — | Ki | = | 12910.0 | nM | 4.89 |
| CHEMBL3262018 | — | Ki | = | 14390.0 | nM | 4.84 |
| CHEMBL3586662 | — | Ki | = | 15940.0 | nM | 4.80 |
| CHEMBL3262024 | — | Ki | = | 16000.0 | nM | 4.80 |
| CHEMBL3586660 | — | Ki | = | 17742.0 | nM | 4.75 |
| CHEMBL5852639 | — | Ki | = | 17870.0 | nM | 4.75 |
| CHEMBL3262025 | — | Ki | = | 19417.0 | nM | 4.71 |
| CHEMBL3586656 | — | Ki | = | 20240.0 | nM | 4.69 |
| CHEMBL5939111 | — | Ki | = | 23700.0 | nM | 4.62 |
| CHEMBL3586664 | — | Ki | = | 24950.0 | nM | 4.60 |
| CHEMBL3586663 | — | Ki | = | 30238.0 | nM | 4.52 |
| CHEMBL5989313 | — | Ki | = | 31096.0 | nM | 4.51 |
| CHEMBL6038257 | — | Ki | = | 37605.0 | nM | 4.42 |
| CHEMBL6014794 | — | Ki | = | 39944.0 | nM | 4.40 |
| CHEMBL3262026 | — | Ki | = | 68520.0 | nM | 4.16 |
| CHEMBL3262017 | — | Ki | = | 70900.0 | nM | 4.15 |
| CHEMBL3262023 | — | k_off | = | - | s-1 | - |
| CHEMBL3262022 | — | k_off | = | - | s-1 | - |
| CHEMBL3262022 | — | kon | = | - | — | - |
| CHEMBL1615288 | — | kon | = | - | — | - |
| CHEMBL3262023 | — | Ki | = | 133174.0 | nM | - |
| CHEMBL1615290 | — | kon | = | - | — | - |
| CHEMBL3262019 | — | k_off | = | - | s-1 | - |
| CHEMBL3262019 | — | kon | = | - | — | - |
| CHEMBL1615290 | — | k_off | = | - | s-1 | - |
| CHEMBL3262025 | — | kon | = | - | — | - |
| CHEMBL3262018 | — | k_off | = | - | s-1 | - |
| CHEMBL3262025 | — | k_off | = | - | s-1 | - |
| CHEMBL3262018 | — | kon | = | - | — | - |
| CHEMBL3262017 | — | k_off | = | - | s-1 | - |
| CHEMBL3262017 | — | kon | = | - | — | - |
| CHEMBL3262026 | — | kon | = | - | — | - |
| CHEMBL5905291 | — | k_off | = | - | s-1 | - |
| CHEMBL3262024 | — | k_off | = | - | s-1 | - |
| CHEMBL3262026 | — | k_off | = | - | s-1 | - |