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Target
Prostaglandin G/H synthase 2
Ligand
BDBM50078685
Substrate
n/a
Meas. Tech.
ChEMBL_159756 (CHEMBL763082)
IC50
>5000±n/a nM
Citation
 Prasit, P; Wang, Z; Brideau, C; Chan, CC; Charleson, S; Cromlish, W; Ethier, D; Evans, JF; Ford-Hutchinson, AW; Gauthier, JY; Gordon, R; Guay, J; Gresser, M; Kargman, S; Kennedy, B; Leblanc, Y; Léger, S; Mancini, J; O'Neill, GP; Ouellet, M; Percival, MD; Perrier, H; Riendeau, D; Rodger, I; Zamboni, R The discovery of rofecoxib, [MK 966, Vioxx, 4-(4'-methylsulfonylphenyl)-3-phenyl-2(5H)-furanone], an orally active cyclooxygenase-2-inhibitor. Bioorg Med Chem Lett 9:1773-8 (1999) [PubMed]  Article 
Target
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:
MLARALLLCAVLALSHTANPCCSHPCQNRGVCMSVGFDQYKCDCTRTGFYGENCSTPEFLTRIKLFLKPTPNTVHYILTHFKGFWNVVNNIPFLRNAIMSYVLTSRSHLIDSPPTYNADYGYKSWEAFSNLSYYTRALPPVPDDCPTPLGVKGKKQLPDSNEIVEKLLLRRKFIPDPQGSNMMFAFFAQHFTHQFFKTDHKRGPAFTNGLGHGVDLNHIYGETLARQRKLRLFKDGKMKYQIIDGEMYPPTVKDTQAEMIYPPQVPEHLRFAVGQEVFGLVPGLMMYATIWLREHNRVCDVLKQEHPEWGDEQLFQTSRLILIGETIKIVIEDYVQHLSGYHFKLKFDPELLFNKQFQYQNRIAAEFNTLYHWHPLLPDTFQIHDQKYNYQQFIYNNSILLEHGITQFVESFTRQIAGRVAGGRNVPPAVQKVSQASIDQSRQMKYQSFNEYRKRFMLKPYESFEELTGEKEMSAELEALYGDIDAVELYPALLVEKPRPDAIFGETMVEVGAPFSLKGLMGNVICSPAYWKPSTFGGEVGFQIINTASIQSLICNNVKGCPFTSFSVPDPELIKTVTINASSSRSGLDDINPTVLLKERSTEL
  
Inhibitor
Name:
BDBM50078685
Synonyms:
4-(4-Methanesulfonyl-phenyl)-3-pyridin-3-yl-5H-furan-2-one | CHEMBL50198
Type:
Small organic molecule
Emp. Form.:
C16H13NO4S
Mol. Mass.:
315.344
SMILES:
CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1cccnc1 |t:11|
Structure:
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