Assay Detail
Binding
CHEMBL5731094
Review assay metadata, readout intent, target linkage, and publication context from the same page.
Aequorin Assay with Human NK-3 Receptor: The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below).
180
Total Activities
31
Compounds Tested
4
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Homo sapiens |
| Confidence | 9 — Direct single protein target |
| Curated By | Autocuration |
Publication
Chiral N-acyl-5,6,7,(8-substituted)-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazines as selective NK-3 receptor antagonists, pharmaceutical composition, methods for use in NK-3 receptor mediated disorders and chiral synthesis thereof
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| kon | 60 | - | - |
| k_off | 60 | - | - |
| IC50 | 31 | 7.83 | 8.70 |
| Ki | 29 | 7.74 | 8.52 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL3422018 | — | — | 3 | 8.70 |
| CHEMBL3422015 | — | — | 6 | 8.70 |
| CHEMBL4112270 | — | — | 6 | 8.52 |
| CHEMBL4111118 | — | — | 6 | 8.52 |
| CHEMBL4111525 | — | — | 6 | 8.52 |
| CHEMBL3422016 | — | — | 6 | 8.22 |
| CHEMBL4109138 | — | — | 6 | 8.15 |
| CHEMBL4115030 | — | — | 6 | 8.15 |
| CHEMBL4112531 | — | — | 6 | 8.05 |
| CHEMBL3422007 | — | — | 6 | 8.00 |
| CHEMBL4112776 | — | — | 6 | 8.00 |
| CHEMBL3939146 | — | — | 6 | 8.00 |
| CHEMBL4109230 | — | — | 6 | 7.96 |
| CHEMBL4106444 | — | — | 3 | 7.92 |
| CHEMBL3422010 | — | — | 6 | 7.80 |
| CHEMBL4107668 | — | — | 6 | 7.75 |
| CHEMBL4114218 | — | — | 6 | 7.75 |
| CHEMBL3964222 | — | — | 6 | 7.75 |
| CHEMBL3940252 | — | — | 6 | 7.70 |
| CHEMBL4112613 | — | — | 6 | 7.68 |
| CHEMBL4107180 | — | — | 6 | 7.58 |
| CHEMBL3422017 | — | — | 6 | 7.54 |
| CHEMBL4110178 | — | — | 6 | 7.52 |
| CHEMBL3952660 | — | — | 6 | 7.48 |
| CHEMBL4108578 | — | — | 6 | 7.47 |
| CHEMBL4110064 | — | — | 6 | 7.43 |
| CHEMBL3917687 | — | — | 6 | 7.38 |
| CHEMBL3908229 | — | — | 6 | 7.30 |
| CHEMBL6053604 | — | — | 6 | 7.29 |
| CHEMBL4113811 | — | — | 6 | 7.24 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL3422015 | — | IC50 | = | 2.0 | nM | 8.70 |
| CHEMBL3422018 | — | IC50 | = | 2.0 | nM | 8.70 |
| CHEMBL4111525 | — | IC50 | = | 3.0 | nM | 8.52 |
| CHEMBL4112270 | — | IC50 | = | 3.0 | nM | 8.52 |
| CHEMBL4111118 | — | IC50 | = | 3.0 | nM | 8.52 |
| CHEMBL4111525 | — | Ki | = | 3.0 | nM | 8.52 |
| CHEMBL3422015 | — | Ki | = | 3.0 | nM | 8.52 |
| CHEMBL4111118 | — | Ki | = | 4.0 | nM | 8.40 |
| CHEMBL4112270 | — | Ki | = | 5.0 | nM | 8.30 |
| CHEMBL3422016 | — | Ki | = | 6.0 | nM | 8.22 |
| CHEMBL4109138 | — | Ki | = | 7.0 | nM | 8.15 |
| CHEMBL4115030 | — | Ki | = | 7.0 | nM | 8.15 |
| CHEMBL4115030 | — | IC50 | = | 7.0 | nM | 8.15 |
| CHEMBL4109138 | — | IC50 | = | 7.0 | nM | 8.15 |
| CHEMBL3422016 | — | IC50 | = | 8.0 | nM | 8.10 |
| CHEMBL4112531 | — | IC50 | = | 9.0 | nM | 8.05 |
| CHEMBL3422007 | — | Ki | = | 10.0 | nM | 8.00 |
| CHEMBL3939146 | — | IC50 | = | 10.0 | nM | 8.00 |
| CHEMBL4112776 | — | IC50 | = | 10.0 | nM | 8.00 |
| CHEMBL4112776 | — | Ki | = | 11.0 | nM | 7.96 |
| CHEMBL3422007 | — | IC50 | = | 11.0 | nM | 7.96 |
| CHEMBL4112531 | — | Ki | = | 11.0 | nM | 7.96 |
| CHEMBL4109230 | — | IC50 | = | 11.0 | nM | 7.96 |
| CHEMBL4106444 | — | IC50 | = | 12.0 | nM | 7.92 |
| CHEMBL4109230 | — | Ki | = | 12.0 | nM | 7.92 |
| CHEMBL3422010 | — | Ki | = | 16.0 | nM | 7.80 |
| CHEMBL3422010 | — | IC50 | = | 16.0 | nM | 7.80 |
| CHEMBL3964222 | — | IC50 | = | 18.0 | nM | 7.75 |
| CHEMBL4107668 | — | IC50 | = | 18.0 | nM | 7.75 |
| CHEMBL4114218 | — | IC50 | = | 18.0 | nM | 7.75 |
| CHEMBL3964222 | — | Ki | = | 19.0 | nM | 7.72 |
| CHEMBL3939146 | — | Ki | = | 20.0 | nM | 7.70 |
| CHEMBL3940252 | — | IC50 | = | 20.0 | nM | 7.70 |
| CHEMBL4112613 | — | IC50 | = | 21.0 | nM | 7.68 |
| CHEMBL4112613 | — | Ki | = | 21.0 | nM | 7.68 |
| CHEMBL4114218 | — | Ki | = | 22.0 | nM | 7.66 |
| CHEMBL4107668 | — | Ki | = | 23.0 | nM | 7.64 |
| CHEMBL4107180 | — | Ki | = | 26.0 | nM | 7.58 |
| CHEMBL4107180 | — | IC50 | = | 28.0 | nM | 7.55 |
| CHEMBL3422017 | — | Ki | = | 29.0 | nM | 7.54 |
| CHEMBL4110178 | — | IC50 | = | 30.0 | nM | 7.52 |
| CHEMBL4110178 | — | Ki | = | 32.0 | nM | 7.50 |
| CHEMBL3422017 | — | IC50 | = | 33.0 | nM | 7.48 |
| CHEMBL3952660 | — | IC50 | = | 33.0 | nM | 7.48 |
| CHEMBL4108578 | — | IC50 | = | 34.0 | nM | 7.47 |
| CHEMBL3940252 | — | Ki | = | 36.0 | nM | 7.44 |
| CHEMBL4110064 | — | IC50 | = | 37.0 | nM | 7.43 |
| CHEMBL3952660 | — | Ki | = | 38.0 | nM | 7.42 |
| CHEMBL3917687 | — | Ki | = | 42.0 | nM | 7.38 |
| CHEMBL4108578 | — | Ki | = | 44.0 | nM | 7.36 |