Assay Detail
Binding
CHEMBL5736063
Review assay metadata, readout intent, target linkage, and publication context from the same page.
Competitive Binding Assays: The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 binding competition assay with human NK-3 receptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 μg/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard). Competition curves were obtained for compounds of the invention and the concentration that displaced 50% of bound radioligand (IC50) were determined by linear regression analysis and then the apparent inhibition constant (Ki) values were calculated by the following equation: Ki═IC50/(1+[L]/Kd) where [L] is the concentration of free radioligand and Kd is its dissociation constant at the receptor, derived from saturation binding experiments (Cheng and Prusoff, 1973).
141
Total Activities
47
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
N-acyl-(3-substituted)-(8-substituted)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazines as selective NK-3 receptor antagonists
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Ki | 47 | 7.34 | 8.15 |
| kon | 47 | - | - |
| k_off | 47 | - | - |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL4108623 | — | — | 3 | 8.15 |
| CHEMBL4108583 | — | — | 3 | 7.96 |
| CHEMBL3608688 | — | — | 3 | 7.96 |
| CHEMBL4113741 | — | — | 3 | 7.82 |
| CHEMBL3608687 | — | — | 3 | 7.72 |
| CHEMBL4106866 | — | — | 3 | 7.70 |
| CHEMBL3608680 | FEZOLINETANT | 4.0 | 3 | 7.64 |
| CHEMBL4114280 | — | — | 3 | 7.62 |
| CHEMBL4115594 | — | — | 3 | 7.58 |
| CHEMBL4115295 | — | — | 3 | 7.58 |
| CHEMBL3936869 | — | — | 3 | 7.58 |
| CHEMBL3964898 | — | — | 3 | 7.55 |
| CHEMBL4112037 | — | — | 3 | 7.52 |
| CHEMBL4113428 | — | — | 3 | 7.51 |
| CHEMBL3608741 | — | — | 3 | 7.50 |
| CHEMBL3979723 | — | — | 3 | 7.42 |
| CHEMBL4110286 | — | — | 3 | 7.40 |
| CHEMBL3899877 | — | — | 3 | 7.39 |
| CHEMBL3977343 | — | — | 3 | 7.38 |
| CHEMBL3927872 | — | — | 3 | 7.37 |
| CHEMBL4113569 | — | — | 3 | 7.35 |
| CHEMBL4111714 | — | — | 3 | 7.35 |
| CHEMBL4112806 | — | — | 3 | 7.32 |
| CHEMBL4110770 | — | — | 3 | 7.31 |
| CHEMBL4112585 | — | — | 3 | 7.29 |
| CHEMBL4110224 | — | — | 3 | 7.27 |
| CHEMBL4113908 | — | — | 3 | 7.25 |
| CHEMBL4112928 | — | — | 3 | 7.23 |
| CHEMBL3980803 | — | — | 3 | 7.23 |
| CHEMBL3907155 | — | — | 3 | 7.23 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL4108623 | — | Ki | = | 7.0 | nM | 8.15 |
| CHEMBL4108583 | — | Ki | = | 11.0 | nM | 7.96 |
| CHEMBL3608688 | — | Ki | = | 11.0 | nM | 7.96 |
| CHEMBL4113741 | — | Ki | = | 15.0 | nM | 7.82 |
| CHEMBL3608687 | — | Ki | = | 19.0 | nM | 7.72 |
| CHEMBL4106866 | — | Ki | = | 20.0 | nM | 7.70 |
| CHEMBL3608680 | FEZOLINETANT | Ki | = | 23.0 | nM | 7.64 |
| CHEMBL4114280 | — | Ki | = | 24.0 | nM | 7.62 |
| CHEMBL4115594 | — | Ki | = | 26.0 | nM | 7.58 |
| CHEMBL4115295 | — | Ki | = | 26.0 | nM | 7.58 |
| CHEMBL3936869 | — | Ki | = | 26.0 | nM | 7.58 |
| CHEMBL3964898 | — | Ki | = | 28.0 | nM | 7.55 |
| CHEMBL4112037 | — | Ki | = | 30.0 | nM | 7.52 |
| CHEMBL4113428 | — | Ki | = | 31.0 | nM | 7.51 |
| CHEMBL3608741 | — | Ki | = | 32.0 | nM | 7.50 |
| CHEMBL3979723 | — | Ki | = | 38.0 | nM | 7.42 |
| CHEMBL4110286 | — | Ki | = | 40.0 | nM | 7.40 |
| CHEMBL3899877 | — | Ki | = | 41.0 | nM | 7.39 |
| CHEMBL3977343 | — | Ki | = | 42.0 | nM | 7.38 |
| CHEMBL3927872 | — | Ki | = | 43.0 | nM | 7.37 |
| CHEMBL4113569 | — | Ki | = | 45.0 | nM | 7.35 |
| CHEMBL4111714 | — | Ki | = | 45.0 | nM | 7.35 |
| CHEMBL4112806 | — | Ki | = | 48.0 | nM | 7.32 |
| CHEMBL4110770 | — | Ki | = | 49.0 | nM | 7.31 |
| CHEMBL4112585 | — | Ki | = | 51.0 | nM | 7.29 |
| CHEMBL4110224 | — | Ki | = | 54.0 | nM | 7.27 |
| CHEMBL4113908 | — | Ki | = | 56.0 | nM | 7.25 |
| CHEMBL3980803 | — | Ki | = | 59.0 | nM | 7.23 |
| CHEMBL4112928 | — | Ki | = | 59.0 | nM | 7.23 |
| CHEMBL3907155 | — | Ki | = | 59.0 | nM | 7.23 |
| CHEMBL3608740 | — | Ki | = | 60.0 | nM | 7.22 |
| CHEMBL4109584 | — | Ki | = | 63.0 | nM | 7.20 |
| CHEMBL3891477 | — | Ki | = | 70.0 | nM | 7.16 |
| CHEMBL4112608 | — | Ki | = | 69.0 | nM | 7.16 |
| CHEMBL3913001 | — | Ki | = | 73.0 | nM | 7.14 |
| CHEMBL4110242 | — | Ki | = | 78.0 | nM | 7.11 |
| CHEMBL5898756 | — | Ki | = | 83.0 | nM | 7.08 |
| CHEMBL3942295 | — | Ki | = | 83.0 | nM | 7.08 |
| CHEMBL4115179 | — | Ki | = | 85.0 | nM | 7.07 |
| CHEMBL4111859 | — | Ki | = | 88.0 | nM | 7.06 |
| CHEMBL3919172 | — | Ki | = | 89.0 | nM | 7.05 |
| CHEMBL6054931 | — | Ki | = | 100.0 | nM | 7.00 |
| CHEMBL5923889 | — | Ki | = | 100.0 | nM | 7.00 |
| CHEMBL4107267 | — | Ki | = | 101.0 | nM | 7.00 |
| CHEMBL3608682 | — | Ki | = | 110.0 | nM | 6.96 |
| CHEMBL4107016 | — | Ki | = | 150.0 | nM | 6.82 |
| CHEMBL3895534 | — | Ki | = | 150.0 | nM | 6.82 |
| CHEMBL3891477 | — | k_off | = | - | s-1 | - |
| CHEMBL4113569 | — | k_off | = | - | s-1 | - |
| CHEMBL4107267 | — | kon | = | - | — | - |