Assay Detail
Binding
CHEMBL5735950
Review assay metadata, readout intent, target linkage, and publication context from the same page.
In Vitro Functional Activity (Agonism) on Human S1P1 Receptors (Method A): The CHO-K1-human-S1P1-Aeqorin assay was bought from Euroscreen Fast, Brussels (Euroscreen, Technical dossier, Human S1P1 (Edg1) receptor, DNA clone and CHO-K1 AequoScreen recombinant cell-line, catalog n°: FAST-0197L, February 2010). Human-S1P1-Aequorin cells express mitochondrial targeted apo-Aequorin. Cells have to be loaded with coelanterazine, in order to reconstitute active Aequorin. After binding of agonists to the human S1P1 receptor the intracellular calcium concentration increases and binding of calcium to the apo-Aequorin/coelenterazine complex leads to an oxidation reaction of coelenterazine, which results in the production of apo-Aequorin, coelenteramide, CO2 and light (□max 469 nm). This luminescent response is dependent on the agonist concentration. Luminescence is measured using the MicroBeta Jet (Perkin Elmer). Agonistic effects of compounds are expressed as pEC50. Compounds were tested at a 10 points half log concentration range, and 2 independent experiments were performed in single point's measurements.
84
Total Activities
28
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
Spiro-cyclic amine derivatives as S1P modulators
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| EC50 | 28 | 5.97 | 7.40 |
| kon | 28 | - | - |
| k_off | 28 | - | - |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL5937280 | — | — | 3 | 7.40 |
| CHEMBL5913949 | — | — | 3 | 7.10 |
| CHEMBL4302167 | — | — | 3 | 6.80 |
| CHEMBL5934734 | — | — | 3 | 6.50 |
| CHEMBL5942930 | — | — | 3 | 6.20 |
| CHEMBL6000660 | — | — | 3 | 6.00 |
| CHEMBL5912794 | — | — | 3 | 5.90 |
| CHEMBL6021496 | — | — | 3 | 5.60 |
| CHEMBL4203755 | — | — | 3 | 5.60 |
| CHEMBL5920099 | — | — | 3 | 5.60 |
| CHEMBL6005796 | — | — | 3 | 5.30 |
| CHEMBL6055173 | — | — | 3 | 5.30 |
| CHEMBL4300821 | — | — | 3 | 5.20 |
| CHEMBL5911421 | — | — | 3 | 5.10 |
| CHEMBL5849285 | — | — | 3 | - |
| CHEMBL6035227 | — | — | 3 | - |
| CHEMBL5937389 | — | — | 3 | - |
| CHEMBL6028672 | — | — | 3 | - |
| CHEMBL5747318 | — | — | 3 | - |
| CHEMBL5855633 | — | — | 3 | - |
| CHEMBL6052757 | — | — | 3 | - |
| CHEMBL4303021 | — | — | 3 | - |
| CHEMBL4300113 | — | — | 3 | - |
| CHEMBL5865395 | — | — | 3 | - |
| CHEMBL5805944 | — | — | 3 | - |
| CHEMBL5885464 | — | — | 3 | - |
| CHEMBL5911249 | — | — | 3 | - |
| CHEMBL4301752 | — | — | 3 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL5937280 | — | EC50 | = | 39.8 | nM | 7.40 |
| CHEMBL5913949 | — | EC50 | = | 79.4 | nM | 7.10 |
| CHEMBL4302167 | — | EC50 | = | 158.0 | nM | 6.80 |
| CHEMBL5934734 | — | EC50 | = | 316.0 | nM | 6.50 |
| CHEMBL5942930 | — | EC50 | = | 631.0 | nM | 6.20 |
| CHEMBL6000660 | — | EC50 | = | 1000.0 | nM | 6.00 |
| CHEMBL5912794 | — | EC50 | = | 1259.0 | nM | 5.90 |
| CHEMBL5920099 | — | EC50 | = | 2512.0 | nM | 5.60 |
| CHEMBL6021496 | — | EC50 | = | 2512.0 | nM | 5.60 |
| CHEMBL4203755 | — | EC50 | = | 2512.0 | nM | 5.60 |
| CHEMBL6005796 | — | EC50 | = | 5012.0 | nM | 5.30 |
| CHEMBL6055173 | — | EC50 | = | 5012.0 | nM | 5.30 |
| CHEMBL4300821 | — | EC50 | = | 6310.0 | nM | 5.20 |
| CHEMBL5911421 | — | EC50 | = | 7943.0 | nM | 5.10 |
| CHEMBL4300113 | — | kon | = | - | — | - |
| CHEMBL5911421 | — | kon | = | - | — | - |
| CHEMBL4300113 | — | EC50 | > | 31623.0 | nM | - |
| CHEMBL5865395 | — | k_off | = | - | s-1 | - |
| CHEMBL5865395 | — | kon | = | - | — | - |
| CHEMBL5865395 | — | EC50 | > | 31623.0 | nM | - |
| CHEMBL5911249 | — | EC50 | > | 31623.0 | nM | - |
| CHEMBL4301752 | — | kon | = | - | — | - |
| CHEMBL4301752 | — | EC50 | > | 31623.0 | nM | - |
| CHEMBL5885464 | — | k_off | = | - | s-1 | - |
| CHEMBL5885464 | — | kon | = | - | — | - |
| CHEMBL5885464 | — | EC50 | > | 31623.0 | nM | - |
| CHEMBL5937280 | — | k_off | = | - | s-1 | - |
| CHEMBL5937280 | — | kon | = | - | — | - |
| CHEMBL5911249 | — | k_off | = | - | s-1 | - |
| CHEMBL5911249 | — | kon | = | - | — | - |
| CHEMBL5849285 | — | EC50 | > | 10000.0 | nM | - |
| CHEMBL5911421 | — | k_off | = | - | s-1 | - |
| CHEMBL5920099 | — | k_off | = | - | s-1 | - |
| CHEMBL5913949 | — | kon | = | - | — | - |
| CHEMBL5913949 | — | k_off | = | - | s-1 | - |
| CHEMBL4203755 | — | kon | = | - | — | - |
| CHEMBL6052757 | — | k_off | = | - | s-1 | - |
| CHEMBL6052757 | — | kon | = | - | — | - |
| CHEMBL6052757 | — | EC50 | > | 31623.0 | nM | - |
| CHEMBL4203755 | — | k_off | = | - | s-1 | - |
| CHEMBL5855633 | — | k_off | = | - | s-1 | - |
| CHEMBL4300113 | — | k_off | = | - | s-1 | - |
| CHEMBL5920099 | — | kon | = | - | — | - |
| CHEMBL6055173 | — | k_off | = | - | s-1 | - |
| CHEMBL6055173 | — | kon | = | - | — | - |
| CHEMBL5747318 | — | EC50 | > | 31623.0 | nM | - |
| CHEMBL4301752 | — | k_off | = | - | s-1 | - |
| CHEMBL5805944 | — | k_off | = | - | s-1 | - |
| CHEMBL5805944 | — | kon | = | - | — | - |
| CHEMBL5805944 | — | EC50 | > | 31623.0 | nM | - |