| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Prostaglandin G/H synthase 2 |
|---|
| Ligand | BDBM50029614 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_159916 (CHEMBL768965) |
|---|
| IC50 | 2.6±n/a nM |
|---|
| Citation |  Huang, HC; Li, JJ; Garland, DJ; Chamberlain, TS; Reinhard, EJ; Manning, RE; Seibert, K; Koboldt, CM; Gregory, SA; Anderson, GD; Veenhuizen, AW; Zhang, Y; Perkins, WE; Burton, EG; Cogburn, JN; Isakson, PC; Reitz, DB Diarylspiro[2.4]heptenes as orally active, highly selective cyclooxygenase-2 inhibitors: synthesis and structure-activity relationships. J Med Chem39:253-66 (1996) [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
|
|
|
|---|
| BDBM50029614 |
|---|
| n/a |
|---|
| Name | BDBM50029614 |
|---|
| Synonyms: | (SC-57666)1-[2-(4-fluorophenyl)-1-cyclopentenyl]-4-methylsulfonylbenzene | 1-[2(4-Flurophenyl)-1-cyclopentyl]4-methylsulfonylbenzene | 1-[2-(4-fluorophenyl)-1-cyclopentenyl]-4-methylsulfonylbenzene | 1-fluoro-4-[2-(4-methylsulfonylphenyl)-1-cyclopentenyl]benzene | 1-fluoro-4-{2-[4-(methylsulfonyl)phenyl]cyclopent-1-en-1-yl}benzene | CHEMBL274893 | SC-57666 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C18H17FO2S |
|---|
| Mol. Mass. | 316.39 |
|---|
| SMILES | CS(=O)(=O)c1ccc(cc1)C1=C(CCC1)c1ccc(F)cc1 |t:11| |
|---|
| Structure | 
|
|---|
Search and Browse
