Search and Browse
Download
Enter Data
| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Prostaglandin G/H synthase 1 | ||
| Ligand | BDBM50241262 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1914745 (CHEMBL4417328) | ||
| IC50 | >40000±n/a nM | ||
| Citation |  Vo, NNQ; Nomura, Y; Muranaka, T; Fukushima, EO Structure-Activity Relationships of Pentacyclic Triterpenoids as Inhibitors of Cyclooxygenase and Lipoxygenase Enzymes. J Nat Prod82:3311-3320 (2019) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Prostaglandin G/H synthase 1 | |||
| Name: | Prostaglandin G/H synthase 1 | ||
| Synonyms: | COX1 | Cyclooxygenase-1 | Cyclooxygenase-1 (COX-1) | PGH1_SHEEP | PTGS1 | Prostaglandin G/H synthase (cyclooxygenase) | ||
| Type: | Protein | ||
| Mol. Mass.: | 68868.60 | ||
| Organism: | Ovis aries (Sheep) | ||
| Description: | n/a | ||
| Residue: | 600 | ||
| Sequence: |
| ||
| BDBM50241262 | |||
| n/a | |||
| Name | BDBM50241262 | ||
| Synonyms: | (3R,4R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bS)-3-acetoxy-4,6a,6b,8a,11,12,14b-heptamethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4-carboxylic acid | 3-O-acetyl-11-keto-beta-boswellic acid | 3-acetyl-11-keto-beta-boswellic acid | 3alpha-acetoxy-11-keto-beta-boswellic acid | CHEMBL237111 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C32H48O5 | ||
| Mol. Mass. | 512.7205 | ||
| SMILES | C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@@H](OC(C)=O)[C@@](C)([C@@H]5CC[C@@]34C)C(O)=O)[C@@H]2[C@H]1C |r,c:10| | ||
| Structure | 
| ||