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Target
Prostaglandin G/H synthase 2
Ligand
BDBM50163748
Substrate
n/a
Meas. Tech.
ChEMBL_311665 (CHEMBL825457)
IC50
9700±n/a nM
Citation
 Selvam, C; Jachak, SM; Thilagavathi, R; Chakraborti, AK Design, synthesis, biological evaluation and molecular docking of curcumin analogues as antioxidant, cyclooxygenase inhibitory and anti-inflammatory agents. Bioorg Med Chem Lett 15:1793-7 (2005) [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:
BDBM50163748
Synonyms:
(E)-3,5-Bis[beta-(4-Hydroxy-3-methoxyphenyl)-ethenyl]-1H-pyrazole | 4,4'-2,2'-(1H-pyrazole-3,5-diyl)bis(ethene-2,1-diyl)bis(2-methoxyphenol) | 4,40-(1E,10E)-2,20-(1-H-Pyrazole-3,5-diyl)bis(ethene-2,1-diyl)bis(2-methoxyphenol) | 4-((E)-2-{3-[(E)-2-(4-hydroxy-3-methoxyphenyl)vinyl]-1H-pyrazol-5-yl}vinyl)-2-methoxyphenol | 4-(2-(5-(4-hydroxy-3-methoxystyryl)-1H-pyrazol-3-yl)vinyl)-2-methoxyphenol | CHEMBL180239
Type:
Small organic molecule
Emp. Form.:
C21H20N2O4
Mol. Mass.:
364.3945
SMILES:
COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)[nH]n2)ccc1O
Structure:
Search PDB for entries with ligand similarity: