| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Prostaglandin G/H synthase 2 |
|---|
| Ligand | BDBM50186096 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_374847 (CHEMBL864093) |
|---|
| IC50 | 250±n/a nM |
|---|
| Citation |  Caturla, F; Amat, M; Reinoso, RF; Calaf, E; Warrellow, G Racemic and chiral sulfoxides as potential prodrugs of 4-pyrone COX-2 inhibitors. Bioorg Med Chem Lett16:3605-8 (2006) [PubMed] Article |
|---|
| More Info.: | Get all data from this article, Assay Method |
|---|
| |
| Prostaglandin G/H synthase 2 |
|---|
| Name: | Prostaglandin G/H synthase 2 |
|---|
| Synonyms: | COX2 | Cyclooxygenase | Cyclooxygenase 2 (COX-2) | Cyclooxygenase-2 | Cyclooxygenase-2 (COX-2 AA) | Cyclooxygenase-2 (COX-2 AEA) | Cyclooxygenase-2 (COX-2) | PGH synthase 2 | PGH2_HUMAN | PGHS-2 | PHS II | PTGS2 | Prostaglandin E synthase/G/H synthase 2 | Prostaglandin H2 synthase 2 | Prostaglandin-endoperoxide synthase 2 |
|---|
| Type: | Enzyme |
|---|
| Mol. Mass.: | 69003.89 |
|---|
| Organism: | Homo sapiens (Human) |
|---|
| Description: | Recombinant Cox-2 provided by Cayman (Cayman Chemical Co.,Ann Arbor, MI). |
|---|
| Residue: | 604 |
|---|
| Sequence: | MLARALLLCAVLALSHTANPCCSHPCQNRGVCMSVGFDQYKCDCTRTGFYGENCSTPEFL
TRIKLFLKPTPNTVHYILTHFKGFWNVVNNIPFLRNAIMSYVLTSRSHLIDSPPTYNADY
GYKSWEAFSNLSYYTRALPPVPDDCPTPLGVKGKKQLPDSNEIVEKLLLRRKFIPDPQGS
NMMFAFFAQHFTHQFFKTDHKRGPAFTNGLGHGVDLNHIYGETLARQRKLRLFKDGKMKY
QIIDGEMYPPTVKDTQAEMIYPPQVPEHLRFAVGQEVFGLVPGLMMYATIWLREHNRVCD
VLKQEHPEWGDEQLFQTSRLILIGETIKIVIEDYVQHLSGYHFKLKFDPELLFNKQFQYQ
NRIAAEFNTLYHWHPLLPDTFQIHDQKYNYQQFIYNNSILLEHGITQFVESFTRQIAGRV
AGGRNVPPAVQKVSQASIDQSRQMKYQSFNEYRKRFMLKPYESFEELTGEKEMSAELEAL
YGDIDAVELYPALLVEKPRPDAIFGETMVEVGAPFSLKGLMGNVICSPAYWKPSTFGGEV
GFQIINTASIQSLICNNVKGCPFTSFSVPDPELIKTVTINASSSRSGLDDINPTVLLKER
STEL
|
|
|
|---|
| BDBM50186096 |
|---|
| n/a |
|---|
| Name | BDBM50186096 |
|---|
| Synonyms: | (R)-3-(4-chloro-2-fluorophenoxy)-6-methyl-2-(4-(methylsulfinyl)phenyl)-4H-pyran-4-one | (S)-3-(4-chloro-2-fluorophenoxy)-6-methyl-2-(4-(methylsulfinyl)phenyl)-4H-pyran-4-one | 3-(4-chloro-2-fluorophenoxy)-6-methyl-2-(4-(methylsulfinyl)phenyl)-4H-pyran-4-one | CHEMBL210897 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C19H14ClFO4S |
|---|
| Mol. Mass. | 392.828 |
|---|
| SMILES | Cc1cc(=O)c(Oc2ccc(Cl)cc2F)c(o1)-c1ccc(cc1)[S@](C)=O |r| |
|---|
| Structure | 
|
|---|
Search and Browse
