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Target
Prostaglandin G/H synthase 2
Ligand
BDBM50029601
Substrate
n/a
Meas. Tech.
ChEMBL_159606 (CHEMBL760088)
IC50
5±n/a nM
Citation
 Li, JJ; Anderson, GD; Burton, EG; Cogburn, JN; Collins, JT; Garland, DJ; Gregory, SA; Huang, HC; Isakson, PC; Koboldt, CM 1,2-Diarylcyclopentenes as selective cyclooxygenase-2 inhibitors and orally active anti-inflammatory agents. J Med Chem 38:4570-8 (1995) [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:
BDBM50029601
Synonyms:
CHEMBL109623 | N-(2-chloro-4-{2-[4-(methylsulfonyl)phenyl]cyclopent-1-en-1-yl}phenyl)-N,N-dimethylamine | {2-Chloro-4-[2-(4-methanesulfonyl-phenyl)-cyclopent-1-enyl]-phenyl}-dimethyl-amine
Type:
Small organic molecule
Emp. Form.:
C20H22ClNO2S
Mol. Mass.:
375.912
SMILES:
CN(C)c1ccc(cc1Cl)C1=C(CCC1)c1ccc(cc1)S(C)(=O)=O |t:11|
Structure:
Search PDB for entries with ligand similarity: