Assay Detail
Binding
CHEMBL5442195
Review assay metadata, readout intent, target linkage, and publication context from the same page.
PDSP Secondary Binding target: ADRA2B - Compounds are tested at 10 uM concentration, plate are incubated at room temperature in the dark for 90 minutes. Reaction are stopped by vacuum filtration onto 0.3% polyethyleneimine soaked filter mats using Filtermate harvester. Scintillation cocktail is then melted onto microwave-dried filters on a hot plate and the radio activity is counted in Microbia counter. Compounds showing a minimum of 50% inhibition at 10 uM concentration are carried forward in this secondary binding assay to determine equilibrium binding affinity.
39
Total Activities
39
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Homo sapiens |
| Category | PDSP assay |
| Confidence | 9 — Direct single protein target |
| Curated By | Autocuration |
Publication
EUbOPEN Chemogenomics Library - PDSP Secondary Binding
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Ki | 39 | 6.42 | 7.97 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL300555 | SPIROXATRINE | 2.0 | 1 | 7.97 |
| CHEMBL2106195 | DEXMEDETOMIDINE HYDROCHLORIDE | 4.0 | 1 | 7.92 |
| CHEMBL1200517 | DIHYDROERGOTAMINE MESYLATE | 4.0 | 1 | 7.87 |
| CHEMBL1257131 | RAUWOLSCINE HYDROCHLORIDE | — | 1 | 7.80 |
| CHEMBL589390 | LATREPIRDINE | 3.0 | 1 | 7.34 |
| CHEMBL1705 | CLONIDINE HYDROCHLORIDE | 4.0 | 1 | 7.03 |
| CHEMBL2164327 | — | — | 1 | 6.97 |
| CHEMBL540612 | — | — | 1 | 6.88 |
| CHEMBL1200492 | NEFAZODONE HYDROCHLORIDE | 4.0 | 1 | 6.72 |
| CHEMBL2105760 | BREXPIPRAZOLE | 4.0 | 1 | 6.72 |
| CHEMBL1200809 | AZELASTINE HYDROCHLORIDE | 4.0 | 1 | 6.64 |
| CHEMBL543113 | — | — | 1 | 6.63 |
| CHEMBL5087452 | — | — | 1 | 6.63 |
| CHEMBL79834 | SPIRAMIDE | 2.0 | 1 | 6.53 |
| CHEMBL1256844 | — | — | 1 | 6.51 |
| CHEMBL2062257 | — | — | 1 | 6.43 |
| CHEMBL1558 | PRAZOSIN HYDROCHLORIDE | 4.0 | 1 | 6.40 |
| CHEMBL405355 | NIGULDIPINE | 2.0 | 1 | 6.31 |
| CHEMBL103769 | — | — | 1 | 6.29 |
| CHEMBL445102 | — | — | 1 | 6.22 |
| CHEMBL1633 | KETOTIFEN FUMARATE | 4.0 | 1 | 6.22 |
| CHEMBL5089005 | — | — | 1 | 6.18 |
| CHEMBL267777 | RITANSERIN | 2.0 | 1 | 6.18 |
| CHEMBL83894 | FANANSERIN | 2.0 | 1 | 6.18 |
| CHEMBL24778 | SILODOSIN | 4.0 | 1 | 6.11 |
| CHEMBL1256876 | — | — | 1 | 6.05 |
| CHEMBL2107572 | TECALCET HYDROCHLORIDE | 2.0 | 1 | 6.02 |
| CHEMBL2024517 | CARIPRAZINE HYDROCHLORIDE | 4.0 | 1 | 5.96 |
| CHEMBL74355 | VOLINANSERIN | 3.0 | 1 | 5.89 |
| CHEMBL679 | EPINEPHRINE | 4.0 | 1 | 5.76 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL300555 | SPIROXATRINE | Ki | = | 10.67 | nM | 7.97 |
| CHEMBL2106195 | DEXMEDETOMIDINE HYDROCHLORIDE | Ki | = | 12.14 | nM | 7.92 |
| CHEMBL1200517 | DIHYDROERGOTAMINE MESYLATE | Ki | = | 13.57 | nM | 7.87 |
| CHEMBL1257131 | RAUWOLSCINE HYDROCHLORIDE | Ki | = | 15.68 | nM | 7.80 |
| CHEMBL589390 | LATREPIRDINE | Ki | = | 45.77 | nM | 7.34 |
| CHEMBL1705 | CLONIDINE HYDROCHLORIDE | Ki | = | 94.09 | nM | 7.03 |
| CHEMBL2164327 | — | Ki | = | 108.05 | nM | 6.97 |
| CHEMBL540612 | — | Ki | = | 131.74 | nM | 6.88 |
| CHEMBL1200492 | NEFAZODONE HYDROCHLORIDE | Ki | = | 192.4 | nM | 6.72 |
| CHEMBL2105760 | BREXPIPRAZOLE | Ki | = | 191.49 | nM | 6.72 |
| CHEMBL1200809 | AZELASTINE HYDROCHLORIDE | Ki | = | 230.35 | nM | 6.64 |
| CHEMBL543113 | — | Ki | = | 235.5 | nM | 6.63 |
| CHEMBL5087452 | — | Ki | = | 234.7 | nM | 6.63 |
| CHEMBL79834 | SPIRAMIDE | Ki | = | 294.27 | nM | 6.53 |
| CHEMBL1256844 | — | Ki | = | 310.99 | nM | 6.51 |
| CHEMBL2062257 | — | Ki | = | 372.74 | nM | 6.43 |
| CHEMBL1558 | PRAZOSIN HYDROCHLORIDE | Ki | = | 396.5 | nM | 6.40 |
| CHEMBL405355 | NIGULDIPINE | Ki | = | 489.95 | nM | 6.31 |
| CHEMBL103769 | — | Ki | = | 511.57 | nM | 6.29 |
| CHEMBL445102 | — | Ki | = | 602.14 | nM | 6.22 |
| CHEMBL1633 | KETOTIFEN FUMARATE | Ki | = | 602.42 | nM | 6.22 |
| CHEMBL5089005 | — | Ki | = | 666.5 | nM | 6.18 |
| CHEMBL267777 | RITANSERIN | Ki | = | 655.32 | nM | 6.18 |
| CHEMBL83894 | FANANSERIN | Ki | = | 666.96 | nM | 6.18 |
| CHEMBL24778 | SILODOSIN | Ki | = | 786.05 | nM | 6.11 |
| CHEMBL1256876 | — | Ki | = | 889.5 | nM | 6.05 |
| CHEMBL2107572 | TECALCET HYDROCHLORIDE | Ki | = | 954.66 | nM | 6.02 |
| CHEMBL2024517 | CARIPRAZINE HYDROCHLORIDE | Ki | = | 1085.3 | nM | 5.96 |
| CHEMBL74355 | VOLINANSERIN | Ki | = | 1288.54 | nM | 5.89 |
| CHEMBL679 | EPINEPHRINE | Ki | = | 1737.8 | nM | 5.76 |
| CHEMBL5076314 | — | Ki | = | 1750.05 | nM | 5.76 |
| CHEMBL1263 | SALMETEROL | Ki | = | 1942.9 | nM | 5.71 |
| CHEMBL281350 | SB-224289 | Ki | = | 2172.45 | nM | 5.66 |
| CHEMBL1489369 | — | Ki | = | 2177.71 | nM | 5.66 |
| CHEMBL1516474 | TEGASEROD MALEATE | Ki | = | 2836.61 | nM | 5.55 |
| CHEMBL531742 | — | Ki | = | 3141.6 | nM | 5.50 |
| CHEMBL59898 | — | Ki | = | 3225.15 | nM | 5.49 |
| CHEMBL3410223 | — | Ki | > | 10000.0 | nM | - |
| CHEMBL1235246 | — | Ki | > | 10000.0 | nM | - |