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Target
Prostaglandin G/H synthase 2
Ligand
BDBM50331068
Substrate
n/a
Meas. Tech.
ChEMBL_687847 (CHEMBL1291411)
IC50
210±n/a nM
Citation
 Wang, JL; Aston, K; Limburg, D; Ludwig, C; Hallinan, AE; Koszyk, F; Hamper, B; Brown, D; Graneto, M; Talley, J; Maziasz, T; Masferrer, J; Carter, J The novel benzopyran class of selective cyclooxygenase-2 inhibitors. Part III: the three microdose candidates. Bioorg Med Chem Lett 20:7164-8 (2010) [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:
BDBM50331068
Synonyms:
6-chloro-5,8-dimethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid | CHEMBL1288730
Type:
Small organic molecule
Emp. Form.:
C13H10ClF3O3
Mol. Mass.:
306.665
SMILES:
Cc1cc(Cl)c(C)c2C=C(C(Oc12)C(F)(F)F)C(O)=O |c:8|
Structure:
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