Assay Detail
Binding
CHEMBL947712
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Inhibition of C-terminal hexahistidine-tagged rat recombinant squalene epoxidase without N-terminal putative membrane domain expressed in Escherichia coli
34
Total Activities
34
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Rattus norvegicus |
| Confidence | 9 — Direct single protein target |
| Curated By | Autocuration |
Publication
Ellagitannins and hexahydroxydiphenoyl esters as inhibitors of vertebrate squalene epoxidase.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 34 | 5.30 | 7.21 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL16121 | DODECYL GALLATE | — | 1 | 7.21 |
| CHEMBL382408 | PENTAGALLOYL GLUCOSE | — | 1 | 6.33 |
| CHEMBL464675 | HEXADECYL GALLATE | — | 1 | 6.23 |
| CHEMBL277346 | OCTYL_GALLATE | — | 1 | 6.08 |
| CHEMBL517784 | — | — | 1 | 6.08 |
| CHEMBL465724 | — | — | 1 | 6.03 |
| CHEMBL458192 | — | — | 1 | 5.96 |
| CHEMBL450739 | — | — | 1 | 5.89 |
| CHEMBL446556 | — | — | 1 | 5.82 |
| CHEMBL450745 | EUGENIIN | — | 1 | 5.80 |
| CHEMBL506204 | PEDUNCULAGIN | — | 1 | 5.70 |
| CHEMBL6246 | ELLAGIC ACID | 2.0 | 1 | 5.70 |
| CHEMBL445979 | — | — | 1 | 5.60 |
| CHEMBL525240 | CHEBULAGIC ACID | — | 1 | 5.50 |
| CHEMBL449392 | CORILAGIN | — | 1 | 5.40 |
| CHEMBL506069 | GERANIIN | — | 1 | 5.39 |
| CHEMBL453196 | ETHYLGALLATE | — | 1 | 5.38 |
| CHEMBL446979 | — | — | 1 | 5.16 |
| CHEMBL465049 | — | — | 1 | 5.10 |
| CHEMBL506817 | MALLOTUSINIC ACID | — | 1 | 5.10 |
| CHEMBL448796 | MALLOTINIC ACID | — | 1 | 5.10 |
| CHEMBL447361 | FUROSIN | — | 1 | 5.00 |
| CHEMBL2368573 | — | — | 1 | 4.92 |
| CHEMBL501154 | CHEBULINIC ACID | — | 1 | 4.92 |
| CHEMBL59417 | — | — | 1 | 4.88 |
| CHEMBL291683 | — | — | 1 | 4.79 |
| CHEMBL502440 | PUNICALIN | — | 1 | 4.70 |
| CHEMBL504485 | CASTALAGIN | — | 1 | 4.52 |
| CHEMBL458193 | — | — | 1 | 4.50 |
| CHEMBL507387 | CASUARININ | — | 1 | 4.50 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL16121 | DODECYL GALLATE | IC50 | = | 61.0 | nM | 7.21 |
| CHEMBL382408 | PENTAGALLOYL GLUCOSE | IC50 | = | 470.0 | nM | 6.33 |
| CHEMBL464675 | HEXADECYL GALLATE | IC50 | = | 590.0 | nM | 6.23 |
| CHEMBL277346 | OCTYL_GALLATE | IC50 | = | 830.0 | nM | 6.08 |
| CHEMBL517784 | — | IC50 | = | 830.0 | nM | 6.08 |
| CHEMBL465724 | — | IC50 | = | 930.0 | nM | 6.03 |
| CHEMBL458192 | — | IC50 | = | 1100.0 | nM | 5.96 |
| CHEMBL450739 | — | IC50 | = | 1300.0 | nM | 5.89 |
| CHEMBL446556 | — | IC50 | = | 1500.0 | nM | 5.82 |
| CHEMBL450745 | EUGENIIN | IC50 | = | 1600.0 | nM | 5.80 |
| CHEMBL506204 | PEDUNCULAGIN | IC50 | = | 2000.0 | nM | 5.70 |
| CHEMBL6246 | ELLAGIC ACID | IC50 | = | 2000.0 | nM | 5.70 |
| CHEMBL445979 | — | IC50 | = | 2500.0 | nM | 5.60 |
| CHEMBL525240 | CHEBULAGIC ACID | IC50 | = | 3200.0 | nM | 5.50 |
| CHEMBL449392 | CORILAGIN | IC50 | = | 4000.0 | nM | 5.40 |
| CHEMBL506069 | GERANIIN | IC50 | = | 4100.0 | nM | 5.39 |
| CHEMBL453196 | ETHYLGALLATE | IC50 | = | 4200.0 | nM | 5.38 |
| CHEMBL446979 | — | IC50 | = | 7000.0 | nM | 5.16 |
| CHEMBL465049 | — | IC50 | = | 7900.0 | nM | 5.10 |
| CHEMBL506817 | MALLOTUSINIC ACID | IC50 | = | 8000.0 | nM | 5.10 |
| CHEMBL448796 | MALLOTINIC ACID | IC50 | = | 8000.0 | nM | 5.10 |
| CHEMBL447361 | FUROSIN | IC50 | = | 10000.0 | nM | 5.00 |
| CHEMBL2368573 | — | IC50 | = | 12000.0 | nM | 4.92 |
| CHEMBL501154 | CHEBULINIC ACID | IC50 | = | 12000.0 | nM | 4.92 |
| CHEMBL59417 | — | IC50 | = | 13300.0 | nM | 4.88 |
| CHEMBL291683 | — | IC50 | = | 16400.0 | nM | 4.79 |
| CHEMBL502440 | PUNICALIN | IC50 | = | 20000.0 | nM | 4.70 |
| CHEMBL504485 | CASTALAGIN | IC50 | = | 30000.0 | nM | 4.52 |
| CHEMBL458193 | — | IC50 | = | 32000.0 | nM | 4.50 |
| CHEMBL507387 | CASUARININ | IC50 | = | 32000.0 | nM | 4.50 |
| CHEMBL506814 | PUNICALAGIN | IC50 | = | 40000.0 | nM | 4.40 |
| CHEMBL444238 | — | IC50 | = | 47000.0 | nM | 4.33 |
| CHEMBL288114 | GALLIC ACID | IC50 | = | 73000.0 | nM | 4.14 |
| CHEMBL526693 | PHYLLYRAEOIDIN | IC50 | = | 100000.0 | nM | 4.00 |