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Target
Prostaglandin G/H synthase 2
Ligand
BDBM50009859
Substrate
n/a
Meas. Tech.
ChEMBL_937010 (CHEMBL2317149)
IC50
1100±n/a nM
Citation
 Bhardwaj, A; Kaur, J; Sharma, SK; Huang, Z; Wuest, F; Knaus, EE Hybrid fluorescent conjugates of COX-2 inhibitors: search for a COX-2 isozyme imaging cancer biomarker. Bioorg Med Chem Lett 23:163-8 (2012) [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:
BDBM50009859
Synonyms:
(+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alpha-methyl-4-(2-methylpropyl)benzeneacetic acid | (+-)-ibuprofen | (+-)-p-isobutylhydratropic acid | (4-isobutylphenyl)-alpha-methylacetic acid | (RS)-ibuprofen | 2-(4-isobutylphenyl)propanoic acid | 2-[4-(2-methylpropyl)phenyl]propanoic acid | 4-isobutylhydratropic acid | Advil | Brufen | CHEMBL521 | IBUPROFEN LYSINE | Ibuprofen | Ibuprofen (1) | Motrin | alpha-(4-isobutylphenyl)propionic acid | alpha-(p-isobutylphenyl)propionic acid
Type:
Small organic molecule
Emp. Form.:
C13H18O2
Mol. Mass.:
206.2808
SMILES:
CC(C)Cc1ccc(cc1)C(C)C(O)=O
Structure:
Search PDB for entries with ligand similarity: