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Target
Prostaglandin G/H synthase 2
Ligand
BDBM50131688
Substrate
n/a
Meas. Tech.
ChEMBL_518949 (CHEMBL941537)
IC50
820±n/a nM
Citation
 Kang, SS; Cuendet, M; Endringer, DC; Croy, VL; Pezzuto, JM; Lipton, MA Synthesis and biological evaluation of a library of resveratrol analogues as inhibitors of COX-1, COX-2 and NF-kappaB. Bioorg Med Chem 17:1044-54 (2009) [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:
BDBM50131688
Synonyms:
(E)-4-(3,5-dimethoxystyryl)phenol | 3,5-Dimethoxy-4'-hydroxyl-trans-stilbene | 4'-hydroxy-3,5-dimethoxy stilbene | 4-(3,5-dimethoxystyryl)phenol | 4-[(E)-2-(3,5-Dimethoxy-phenyl)-vinyl]-phenol | 4-[2-(3,5-Dimethoxy-phenyl)-vinyl]-phenol | CHEMBL83527 | E 4-[2-(3,5-Dimethoxy-phenyl)-vinyl]-phenol | Pterostilben | Pterostilbene
Type:
Small organic molecule
Emp. Form.:
C16H16O3
Mol. Mass.:
256.2964
SMILES:
COc1cc(OC)cc(\C=C\c2ccc(O)cc2)c1
Structure:
Search PDB for entries with ligand similarity: