Assay Detail
Binding
CHEMBL3825916
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Agonist activity at GST-tagged FXR LBD (187 to 472 residues) (unknown origin) assessed as FXR interaction with b-CPSSHSSLTERHKILHRLLQEGSPS-COOH by FRET assay
28
Total Activities
28
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
Novel substituted isoxazole FXR agonists with cyclopropyl, hydroxycyclobutyl and hydroxyazetidinyl linkers: Understanding and improving key determinants of pharmacological properties.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| EC50 | 28 | 7.34 | 8.40 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL3822755 | — | — | 1 | 8.40 |
| CHEMBL3822798 | — | — | 1 | 8.15 |
| CHEMBL3823517 | — | — | 1 | 8.15 |
| CHEMBL3824207 | — | — | 1 | 8.05 |
| CHEMBL3824163 | — | — | 1 | 8.00 |
| CHEMBL3824337 | — | — | 1 | 7.89 |
| CHEMBL3824162 | — | — | 1 | 7.75 |
| CHEMBL3822477 | — | — | 1 | 7.72 |
| CHEMBL318457 | — | — | 1 | 7.70 |
| CHEMBL3823938 | — | — | 1 | 7.62 |
| CHEMBL3822859 | — | — | 1 | 7.62 |
| CHEMBL3822901 | — | — | 1 | 7.54 |
| CHEMBL3822597 | — | — | 1 | 7.50 |
| CHEMBL3823077 | — | — | 1 | 7.32 |
| CHEMBL3823564 | — | — | 1 | 7.27 |
| CHEMBL3823070 | — | — | 1 | 7.18 |
| CHEMBL3822953 | — | — | 1 | 7.12 |
| CHEMBL3823491 | — | — | 1 | 7.11 |
| CHEMBL3823637 | — | — | 1 | 7.10 |
| CHEMBL3822464 | — | — | 1 | 7.10 |
| CHEMBL3823213 | — | — | 1 | 7.05 |
| CHEMBL3823312 | — | — | 1 | 6.88 |
| CHEMBL3822803 | — | — | 1 | 6.88 |
| CHEMBL3822935 | — | — | 1 | 6.82 |
| CHEMBL3824077 | — | — | 1 | 6.66 |
| CHEMBL3823688 | — | — | 1 | 6.56 |
| CHEMBL3823467 | — | — | 1 | 6.43 |
| CHEMBL3822773 | PX-102 | 2.0 | 1 | 5.96 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL3822755 | — | EC50 | = | 4.0 | nM | 8.40 |
| CHEMBL3822798 | — | EC50 | = | 7.0 | nM | 8.15 |
| CHEMBL3823517 | — | EC50 | = | 7.0 | nM | 8.15 |
| CHEMBL3824207 | — | EC50 | = | 9.0 | nM | 8.05 |
| CHEMBL3824163 | — | EC50 | = | 10.0 | nM | 8.00 |
| CHEMBL3824337 | — | EC50 | = | 13.0 | nM | 7.89 |
| CHEMBL3824162 | — | EC50 | = | 18.0 | nM | 7.75 |
| CHEMBL3822477 | — | EC50 | = | 19.0 | nM | 7.72 |
| CHEMBL318457 | — | EC50 | = | 20.0 | nM | 7.70 |
| CHEMBL3823938 | — | EC50 | = | 24.0 | nM | 7.62 |
| CHEMBL3822859 | — | EC50 | = | 24.0 | nM | 7.62 |
| CHEMBL3822901 | — | EC50 | = | 29.0 | nM | 7.54 |
| CHEMBL3822597 | — | EC50 | = | 32.0 | nM | 7.50 |
| CHEMBL3823077 | — | EC50 | = | 48.0 | nM | 7.32 |
| CHEMBL3823564 | — | EC50 | = | 54.0 | nM | 7.27 |
| CHEMBL3823070 | — | EC50 | = | 66.0 | nM | 7.18 |
| CHEMBL3822953 | — | EC50 | = | 76.0 | nM | 7.12 |
| CHEMBL3823491 | — | EC50 | = | 77.0 | nM | 7.11 |
| CHEMBL3823637 | — | EC50 | = | 79.0 | nM | 7.10 |
| CHEMBL3822464 | — | EC50 | = | 80.0 | nM | 7.10 |
| CHEMBL3823213 | — | EC50 | = | 90.0 | nM | 7.05 |
| CHEMBL3823312 | — | EC50 | = | 131.0 | nM | 6.88 |
| CHEMBL3822803 | — | EC50 | = | 131.0 | nM | 6.88 |
| CHEMBL3822935 | — | EC50 | = | 150.0 | nM | 6.82 |
| CHEMBL3824077 | — | EC50 | = | 219.0 | nM | 6.66 |
| CHEMBL3823688 | — | EC50 | = | 277.0 | nM | 6.56 |
| CHEMBL3823467 | — | EC50 | = | 373.0 | nM | 6.43 |
| CHEMBL3822773 | PX-102 | EC50 | = | 1094.0 | nM | 5.96 |