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Target
Prostaglandin G/H synthase 2
Ligand
BDBM50022271
Substrate
n/a
Meas. Tech.
ChEMBL_1436067 (CHEMBL3384119)
IC50
3800±n/a nM
Citation
 Radwan, MF; Dalby, KN; Kaoud, TS Propyphenazone-based analogues as prodrugs and selective cyclooxygenase-2 inhibitors. ACS Med Chem Lett 5:983-8 (2014) [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:
BDBM50022271
Synonyms:
2-(3-Benzoylphenyl)propionic acid | 2-(3-benzoylphenyl)propanoic acid | 3-Benzoyl-alpha-methylbenzeneacetic acid | 3-Benzoylhydratropic acid | CHEMBL571 | Dexketoprofen trometamol | KETOPROFEN | L'Acide (benzoyl-3-phenyl)-2-propionique | Orudis (TN) | m-Benzoylhydratropic acid
Type:
Small organic molecule
Emp. Form.:
C16H14O3
Mol. Mass.:
254.2806
SMILES:
CC(C(O)=O)c1cccc(c1)C(=O)c1ccccc1
Structure:
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