Search and Browse
Download
Enter Data
| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Prostaglandin G/H synthase 1 | ||
| Ligand | BDBM50188301 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_378653 (CHEMBL871489) | ||
| IC50 | 3000±n/a nM | ||
| Citation |  Birkinshaw, TN; Teague, SJ; Beech, C; Bonnert, RV; Hill, S; Patel, A; Reakes, S; Sanganee, H; Dougall, IG; Phillips, TT; Salter, S; Schmidt, J; Arrowsmith, EC; Carrillo, JJ; Bell, FM; Paine, SW; Weaver, R Discovery of potent CRTh2 (DP2) receptor antagonists. Bioorg Med Chem Lett16:4287-90 (2006) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Prostaglandin G/H synthase 1 | |||
| Name: | Prostaglandin G/H synthase 1 | ||
| Synonyms: | COX-1 | COX1 | Cyclooxygenase | Cyclooxygenase-1 | Cyclooxygenase-1 (COX-1) | PGH1_HUMAN | PTGS1 | Prostaglandin G/H synthase (cyclooxygenase) | ||
| Type: | Enzyme | ||
| Mol. Mass.: | 68692.62 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | P23219 | ||
| Residue: | 599 | ||
| Sequence: |
| ||
| BDBM50188301 | |||
| n/a | |||
| Name | BDBM50188301 | ||
| Synonyms: | 2-(2,5-dimethyl-3-(8-methylquinolin-4-yl)-1H-indol-1-yl)acetic acid | CHEMBL209689 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C22H20N2O2 | ||
| Mol. Mass. | 344.4064 | ||
| SMILES | Cc1c(-c2ccnc3c(C)cccc23)c2cc(C)ccc2n1CC(O)=O |(-2.12,-2.68,;-3.66,-2.69,;-4.56,-3.95,;-4.08,-5.41,;-2.58,-5.71,;-2.09,-7.17,;-3.11,-8.33,;-4.62,-8.02,;-5.63,-9.15,;-5.14,-10.61,;-7.13,-8.85,;-7.62,-7.39,;-6.6,-6.25,;-5.1,-6.56,;-6.04,-3.48,;-7.38,-4.24,;-8.72,-3.47,;-10.05,-4.24,;-8.71,-1.93,;-7.38,-1.16,;-6.05,-1.92,;-4.57,-1.44,;-4.1,.03,;-2.6,.35,;-1.56,-.78,;-2.12,1.82,)| | ||
| Structure | 
| ||