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Target
Prostaglandin G/H synthase 2
Ligand
BDBM50288328
Substrate
n/a
Meas. Tech.
ChEBML_158000
IC50
1500±n/a nM
Citation
 Bertenshaw, SR; Talley, JJ; Rogier, DJ; Graneto, MJ; Koboldt, CM; Zhang, Y Conformationally restricted 1,5-diarylpyrazoles are selective COX-2 inhibitors Bioorg Med Chem Lett 6:2827-2830 (1996)    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:
BDBM50288328
Synonyms:
4-(8-Fluoro-7-methoxy-4-oxo-3-trifluoromethyl-4,5-dihydro-4lambda*4*-isothiochromeno[4,3-c]pyrazol-1-yl)-benzenesulfonamide | CHEMBL94274
Type:
Small organic molecule
Emp. Form.:
C18H13F4N3O4S2
Mol. Mass.:
475.437
SMILES:
COc1cc2CS(=O)c3c(nn(c3-c2cc1F)-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Structure:
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