Assay Detail
Functional
CHEMBL949256
Review assay metadata, readout intent, target linkage, and publication context from the same page.
Agonist activity at human TGR5 expressed in CHO cells by luciferase assay
68
Total Activities
68
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Functional |
| Organism | Homo sapiens |
| Cell Type | CHO |
| Confidence | 9 — Direct single protein target |
| Curated By | Autocuration |
Target
G-protein coupled bile acid receptor 1 (CHEMBL5409) ↗| Type | SINGLE PROTEIN |
| Organism | Homo sapiens |
Publication
Novel potent and selective bile acid derivatives as TGR5 agonists: biological screening, structure-activity relationships, and molecular modeling studies.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| EC50 | 68 | 5.52 | 7.12 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL270105 | — | — | 1 | 7.12 |
| CHEMBL270287 | — | — | 1 | 6.92 |
| CHEMBL273087 | 3 ALPHA-HYDROXY-7 ALPHA-FLUORO-5 BETA-CHOLAN-24-OIC A | — | 1 | 6.60 |
| CHEMBL410893 | — | — | 1 | 6.57 |
| CHEMBL407717 | — | — | 1 | 6.54 |
| CHEMBL408701 | TAUROLITHOCHOLIC ACID | 3.0 | 1 | 6.54 |
| CHEMBL260737 | — | — | 1 | 6.44 |
| CHEMBL406923 | — | — | 1 | 6.36 |
| CHEMBL258818 | LITHOGLYCOCHOLATE | — | 1 | 6.27 |
| CHEMBL1478 | LITHOCHOLIC ACID | — | 1 | 6.24 |
| CHEMBL260735 | — | — | 1 | 6.23 |
| CHEMBL408477 | — | — | 1 | 6.14 |
| CHEMBL160902 | — | — | 1 | 6.11 |
| CHEMBL405879 | — | — | 1 | 6.11 |
| CHEMBL412272 | TAURODEOXYCHOLIC ACID | 2.0 | 1 | 6.10 |
| CHEMBL269897 | PREGNANDIOL | -1.0 | 1 | 6.07 |
| CHEMBL270703 | — | — | 1 | 6.06 |
| CHEMBL408445 | — | — | 1 | 6.00 |
| CHEMBL258605 | GLYCODEOXYCHOLATE | — | 1 | 5.93 |
| CHEMBL349105 | — | — | 1 | 5.90 |
| CHEMBL406393 | DEOXYCHOLIC ACID | 4.0 | 1 | 5.90 |
| CHEMBL409511 | — | — | 1 | 5.88 |
| CHEMBL185878 | TAUROCHENODEOXYCHOLATE | — | 1 | 5.72 |
| CHEMBL1253814 | — | — | 1 | 5.66 |
| CHEMBL260314 | — | — | 1 | 5.64 |
| CHEMBL261826 | — | — | 1 | 5.63 |
| CHEMBL410494 | ETIOCHOLANDIOL | — | 1 | 5.61 |
| CHEMBL260526 | EPIETIOCHOLANOLONE | — | 1 | 5.58 |
| CHEMBL270494 | — | — | 1 | 5.58 |
| CHEMBL103 | PROGESTERONE | 4.0 | 1 | 5.56 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL270105 | — | EC50 | = | 76.0 | nM | 7.12 |
| CHEMBL270287 | — | EC50 | = | 120.0 | nM | 6.92 |
| CHEMBL273087 | 3 ALPHA-HYDROXY-7 ALPHA-FLUORO-5 BETA-CHOLAN-24-OIC A | EC50 | = | 250.0 | nM | 6.60 |
| CHEMBL410893 | — | EC50 | = | 270.0 | nM | 6.57 |
| CHEMBL407717 | — | EC50 | = | 290.0 | nM | 6.54 |
| CHEMBL408701 | TAUROLITHOCHOLIC ACID | EC50 | = | 290.0 | nM | 6.54 |
| CHEMBL260737 | — | EC50 | = | 360.0 | nM | 6.44 |
| CHEMBL406923 | — | EC50 | = | 440.0 | nM | 6.36 |
| CHEMBL258818 | LITHOGLYCOCHOLATE | EC50 | = | 540.0 | nM | 6.27 |
| CHEMBL1478 | LITHOCHOLIC ACID | EC50 | = | 580.0 | nM | 6.24 |
| CHEMBL260735 | — | EC50 | = | 590.0 | nM | 6.23 |
| CHEMBL408477 | — | EC50 | = | 730.0 | nM | 6.14 |
| CHEMBL160902 | — | EC50 | = | 770.0 | nM | 6.11 |
| CHEMBL405879 | — | EC50 | = | 780.0 | nM | 6.11 |
| CHEMBL412272 | TAURODEOXYCHOLIC ACID | EC50 | = | 790.0 | nM | 6.10 |
| CHEMBL269897 | PREGNANDIOL | EC50 | = | 850.0 | nM | 6.07 |
| CHEMBL270703 | — | EC50 | = | 870.0 | nM | 6.06 |
| CHEMBL408445 | — | EC50 | = | 1000.0 | nM | 6.00 |
| CHEMBL258605 | GLYCODEOXYCHOLATE | EC50 | = | 1180.0 | nM | 5.93 |
| CHEMBL349105 | — | EC50 | = | 1250.0 | nM | 5.90 |
| CHEMBL406393 | DEOXYCHOLIC ACID | EC50 | = | 1250.0 | nM | 5.90 |
| CHEMBL409511 | — | EC50 | = | 1330.0 | nM | 5.88 |
| CHEMBL185878 | TAUROCHENODEOXYCHOLATE | EC50 | = | 1920.0 | nM | 5.72 |
| CHEMBL1253814 | — | EC50 | = | 2180.0 | nM | 5.66 |
| CHEMBL260314 | — | EC50 | = | 2290.0 | nM | 5.64 |
| CHEMBL261826 | — | EC50 | = | 2360.0 | nM | 5.63 |
| CHEMBL410494 | ETIOCHOLANDIOL | EC50 | = | 2440.0 | nM | 5.61 |
| CHEMBL260526 | EPIETIOCHOLANOLONE | EC50 | = | 2620.0 | nM | 5.58 |
| CHEMBL270494 | — | EC50 | = | 2630.0 | nM | 5.58 |
| CHEMBL103 | PROGESTERONE | EC50 | = | 2770.0 | nM | 5.56 |
| CHEMBL272426 | — | EC50 | = | 2910.0 | nM | 5.54 |
| CHEMBL272195 | EPIANDROSTERONE | EC50 | = | 3200.0 | nM | 5.50 |
| CHEMBL90593 | PRASTERONE | EC50 | = | 3330.0 | nM | 5.48 |
| CHEMBL85799 | ETIOCHOLANOLONE | EC50 | = | 3760.0 | nM | 5.42 |
| CHEMBL1552 | GLYCOCHENODEOXYCHOLATE | EC50 | = | 3880.0 | nM | 5.41 |
| CHEMBL271172 | — | EC50 | = | 3980.0 | nM | 5.40 |
| CHEMBL3391714 | — | EC50 | = | 4390.0 | nM | 5.36 |
| CHEMBL273086 | — | EC50 | = | 4390.0 | nM | 5.36 |
| CHEMBL27769 | STANOLONE | EC50 | = | 4490.0 | nM | 5.35 |
| CHEMBL272620 | MUROCHOLIC ACID | EC50 | = | 4890.0 | nM | 5.31 |
| CHEMBL3138525 | — | EC50 | = | 5020.0 | nM | 5.30 |
| CHEMBL224867 | TAUROCHOLIC ACID | EC50 | = | 4950.0 | nM | 5.30 |
| CHEMBL429432 | URSOCHOLANIC ACID | EC50 | = | 6080.0 | nM | 5.22 |
| CHEMBL87285 | ANDROSTERONE | EC50 | = | 6220.0 | nM | 5.21 |
| CHEMBL407713 | — | EC50 | = | 6180.0 | nM | 5.21 |
| CHEMBL240597 | CHENODIOL | EC50 | = | 6710.0 | nM | 5.17 |
| CHEMBL335062 | ANDROSTANDIOL | EC50 | = | 7010.0 | nM | 5.15 |
| CHEMBL408175 | — | EC50 | = | 10400.0 | nM | 4.98 |
| CHEMBL411070 | GLYCOCHOLIC ACID | EC50 | = | 13600.0 | nM | 4.87 |
| CHEMBL205596 | CHOLIC ACID | EC50 | = | 13600.0 | nM | 4.87 |