| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Prostaglandin G/H synthase 2 |
|---|
| Ligand | BDBM50006805 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_561220 (CHEMBL1012766) |
|---|
| IC50 | >10±n/a nM |
|---|
| Citation |  Koeberle, A; Zettl, H; Greiner, C; Wurglics, M; Schubert-Zsilavecz, M; Werz, O Pirinixic acid derivatives as novel dual inhibitors of microsomal prostaglandin E2 synthase-1 and 5-lipoxygenase. J Med Chem51:8068-76 (2008) [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
|
|
|
|---|
| BDBM50006805 |
|---|
| n/a |
|---|
| Name | BDBM50006805 |
|---|
| Synonyms: | 3-(1-(4-chlorobenzyl)-3-(tert-butylthio)-5-isopropyl-1H-indol-2-yl)-2,2-dimethylpropanoic acid | 3-(3-(tert-butylthio)-1-(4-chlorobenzyl)-5-isopropyl-1H-indol-2-yl)-2,2-dimethylpropanoic acid | 3-[1-(4-chlorobenzyl)-3-t-butyl-thio-5-isopropylindol-2-yl]-2,2-dimethylpropanoic acid | 3-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-isopropyl-1H-indol-2-yl]-2,2-dimethyl-propionic acid | CHEMBL29097 | MK-886 | MK886 | cid_3651377 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C27H34ClNO2S |
|---|
| Mol. Mass. | 472.082 |
|---|
| SMILES | CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c2c1 |
|---|
| Structure | 
|
|---|
Search and Browse
