Assay Detail
Binding
CHEMBL1008495
Review assay metadata, readout intent, target linkage, and publication context from the same page.
Inhibition of COX2
46
Total Activities
44
Compounds Tested
3
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Confidence | 8 — Homologous single protein target |
| Curated By | Intermediate |
Publication
Expanding the ChemGPS chemical space with natural products.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 40 | 5.67 | 7.57 |
| Activity | 5 | - | - |
| IC60 | 1 | - | - |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL414883 | RADICICOL | — | 1 | 7.57 |
| CHEMBL463763 | TRIPTOLIDE | 3.0 | 1 | 7.40 |
| CHEMBL306946 | TRYPTANTHRIN | — | 1 | 7.19 |
| CHEMBL7162 | NS-398 | — | 2 | 6.80 |
| CHEMBL85139 | RUTAECARPINE | — | 1 | 6.52 |
| CHEMBL463571 | LEUCANTHIN B | — | 1 | 6.40 |
| CHEMBL512400 | ENCELIN | — | 1 | 6.40 |
| CHEMBL206765 | ENHYDRIN | — | 1 | 6.22 |
| CHEMBL122 | ROFECOXIB | 4.0 | 1 | 6.12 |
| CHEMBL4298697 | — | — | 1 | 6.10 |
| CHEMBL463559 | MELAMPODIN A | — | 1 | 5.96 |
| CHEMBL512227 | HUMULONE | — | 1 | 5.80 |
| CHEMBL260553 | — | — | 1 | 5.70 |
| CHEMBL459814 | AVAROL | — | 1 | 5.64 |
| CHEMBL409627 | CONFERTIFLORIN | — | 1 | 5.54 |
| CHEMBL122890 | AJOENE | — | 1 | 5.47 |
| CHEMBL509159 | BURRODIN | — | 1 | 5.42 |
| CHEMBL6 | INDOMETHACIN | 4.0 | 1 | 5.41 |
| CHEMBL270060 | PSILOSTACHYIN A | — | 1 | 5.34 |
| CHEMBL458470 | — | — | 1 | 5.10 |
| CHEMBL28 | APIGENIN | — | 2 | 5.10 |
| CHEMBL490324 | TENULIN | — | 1 | 4.75 |
| CHEMBL165 | RESVERATROL | 3.0 | 1 | 4.50 |
| CHEMBL16171 | WOGONIN | — | 1 | 4.34 |
| CHEMBL464610 | SANGGENON D | — | 1 | 4.14 |
| CHEMBL319244 | CAFFEIC ACID PHENETHYL ESTER | — | 1 | 4.09 |
| CHEMBL464006 | MORUSIN | — | 1 | 4.00 |
| CHEMBL50 | QUERCETIN | 3.0 | 1 | - |
| CHEMBL455827 | ARENARIOSIDE | — | 1 | - |
| CHEMBL293492 | CINNAMALDEHYDE | -1.0 | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL414883 | RADICICOL | IC50 | = | 27.0 | nM | 7.57 |
| CHEMBL463763 | TRIPTOLIDE | IC50 | = | 40.0 | nM | 7.40 |
| CHEMBL306946 | TRYPTANTHRIN | IC50 | = | 64.0 | nM | 7.19 |
| CHEMBL7162 | NS-398 | IC50 | = | 160.0 | nM | 6.80 |
| CHEMBL85139 | RUTAECARPINE | IC50 | = | 300.0 | nM | 6.52 |
| CHEMBL463571 | LEUCANTHIN B | IC50 | = | 400.0 | nM | 6.40 |
| CHEMBL512400 | ENCELIN | IC50 | = | 400.0 | nM | 6.40 |
| CHEMBL206765 | ENHYDRIN | IC50 | = | 600.0 | nM | 6.22 |
| CHEMBL122 | ROFECOXIB | IC50 | = | 760.0 | nM | 6.12 |
| CHEMBL4298697 | — | IC50 | = | 800.0 | nM | 6.10 |
| CHEMBL463559 | MELAMPODIN A | IC50 | = | 1100.0 | nM | 5.96 |
| CHEMBL512227 | HUMULONE | IC50 | = | 1600.0 | nM | 5.80 |
| CHEMBL260553 | — | IC50 | = | 2000.0 | nM | 5.70 |
| CHEMBL459814 | AVAROL | IC50 | = | 2300.0 | nM | 5.64 |
| CHEMBL409627 | CONFERTIFLORIN | IC50 | = | 2900.0 | nM | 5.54 |
| CHEMBL122890 | AJOENE | IC50 | = | 3400.0 | nM | 5.47 |
| CHEMBL509159 | BURRODIN | IC50 | = | 3800.0 | nM | 5.42 |
| CHEMBL6 | INDOMETHACIN | IC50 | = | 3900.0 | nM | 5.41 |
| CHEMBL270060 | PSILOSTACHYIN A | IC50 | = | 4600.0 | nM | 5.34 |
| CHEMBL458470 | — | IC50 | = | 8000.0 | nM | 5.10 |
| CHEMBL28 | APIGENIN | IC50 | = | 8000.0 | nM | 5.10 |
| CHEMBL490324 | TENULIN | IC50 | = | 18000.0 | nM | 4.75 |
| CHEMBL165 | RESVERATROL | IC50 | = | 32000.0 | nM | 4.50 |
| CHEMBL16171 | WOGONIN | IC50 | = | 46000.0 | nM | 4.34 |
| CHEMBL464610 | SANGGENON D | IC50 | = | 73000.0 | nM | 4.14 |
| CHEMBL319244 | CAFFEIC ACID PHENETHYL ESTER | IC50 | = | 82000.0 | nM | 4.09 |
| CHEMBL464006 | MORUSIN | IC50 | = | 100000.0 | nM | 4.00 |
| CHEMBL465371 | KAZINOL B | IC50 | > | 100000.0 | nM | - |
| CHEMBL393292 | FORSYTHOSIDE B | IC50 | = | 490000.0 | nM | - |
| CHEMBL42710 | EUGENOL | IC50 | = | 129000.0 | nM | - |
| CHEMBL9352 | NARINGENIN | Activity | - | — | - | |
| CHEMBL168 | OLEANOLIC_ACID | IC50 | = | 295000.0 | nM | - |
| CHEMBL458707 | — | IC50 | = | 180000.0 | nM | - |
| CHEMBL7162 | NS-398 | Activity | - | — | - | |
| CHEMBL404515 | CYANIDIN | IC50 | = | 60000000.0 | nM | - |
| CHEMBL140 | CURCUMIN | Activity | - | — | - | |
| CHEMBL518543 | KUWANON C | IC50 | > | 100000.0 | nM | - |
| CHEMBL50 | QUERCETIN | Activity | - | — | - | |
| CHEMBL86416 | COSTUNOLIDE | IC60 | = | 6.9 | uM | - |
| CHEMBL311498 | CIANIDANOL | IC50 | = | 130000.0 | nM | - |
| CHEMBL507430 | SANGGENON B | IC50 | > | 100000.0 | nM | - |
| CHEMBL293492 | CINNAMALDEHYDE | IC50 | = | 245000.0 | nM | - |
| CHEMBL510672 | — | IC50 | = | 120000.0 | nM | - |
| CHEMBL455827 | ARENARIOSIDE | IC50 | = | 600000.0 | nM | - |
| CHEMBL28 | APIGENIN | Activity | - | — | - | |
| CHEMBL307145 | PYROGALLOL | IC50 | = | 144000.0 | nM | - |