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Target
Prostaglandin G/H synthase 2
Ligand
BDBM50320711
Substrate
n/a
Meas. Tech.
ChEMBL_638986 (CHEMBL1168969)
IC50
100000±n/a nM
Citation
 Bridoux, A; Millet, R; Pommery, J; Pommery, N; Henichart, JP Synthesis and biological activity of N-aroyl-tetrahydro-gamma-carbolines. Bioorg Med Chem 18:3910-24 (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:
BDBM50320711
Synonyms:
2-{3-[3-Fluoro-5-(4-methoxytetrahydro-4H-4-pyranyl)phenoxy]propyl}-8-methoxy-5-(2,4,6-trichlorobenzoyl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole hydrochloride | CHEMBL1163221
Type:
Small organic molecule
Emp. Form.:
C34H34Cl3FN2O5
Mol. Mass.:
676.002
SMILES:
COc1ccc2n(C(=O)c3c(Cl)cc(Cl)cc3Cl)c3CCN(CCCOc4cc(F)cc(c4)C4(CCOCC4)OC)Cc3c2c1
Structure:
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