Assay Detail
Binding
CHEMBL4714672
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Orthosteric inverse agonist activity at recombinant human N-terminal His6-tagged RORgammat ligand binding domain (265 to 518 residues) expressed in Escherichia coli BL21 (DE3) assessed as reduction in coactivator, N-terminal biotinylated SRC-1 box2 peptide recruitment incubated for 60 mins by TR-FRET assay
14
Total Activities
14
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Homo sapiens |
| Confidence | 9 — Direct single protein target |
| Curated By | Autocuration |
Publication
Covalent Occlusion of the RORγt Ligand Binding Pocket Allows Unambiguous Targeting of an Allosteric Site.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 14 | 6.77 | 7.17 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL4791369 | — | — | 1 | 7.17 |
| CHEMBL4799590 | — | — | 1 | 7.11 |
| CHEMBL4793754 | — | — | 1 | 7.09 |
| CHEMBL375270 | — | — | 1 | 7.07 |
| CHEMBL4790576 | — | — | 1 | 7.05 |
| CHEMBL4784120 | — | — | 1 | 7.03 |
| CHEMBL4779012 | — | — | 1 | 6.97 |
| CHEMBL4740894 | — | — | 1 | 6.91 |
| CHEMBL229948 | — | — | 1 | 6.88 |
| CHEMBL4791019 | — | — | 1 | 6.39 |
| CHEMBL4763539 | — | — | 1 | 5.97 |
| CHEMBL1751 | DIGOXIN | 4.0 | 1 | 5.64 |
| CHEMBL4793930 | — | — | 1 | - |
| CHEMBL4751600 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL4791369 | — | IC50 | = | 67.0 | nM | 7.17 |
| CHEMBL4799590 | — | IC50 | = | 77.0 | nM | 7.11 |
| CHEMBL4793754 | — | IC50 | = | 81.0 | nM | 7.09 |
| CHEMBL375270 | — | IC50 | = | 86.0 | nM | 7.07 |
| CHEMBL4790576 | — | IC50 | = | 89.0 | nM | 7.05 |
| CHEMBL4784120 | — | IC50 | = | 94.0 | nM | 7.03 |
| CHEMBL4779012 | — | IC50 | = | 108.0 | nM | 6.97 |
| CHEMBL4740894 | — | IC50 | = | 122.0 | nM | 6.91 |
| CHEMBL229948 | — | IC50 | = | 131.0 | nM | 6.88 |
| CHEMBL4791019 | — | IC50 | = | 404.0 | nM | 6.39 |
| CHEMBL4763539 | — | IC50 | = | 1080.0 | nM | 5.97 |
| CHEMBL1751 | DIGOXIN | IC50 | = | 2307.0 | nM | 5.64 |
| CHEMBL4793930 | — | IC50 | - | — | - | |
| CHEMBL4751600 | — | IC50 | - | — | - |