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Target
Prostaglandin G/H synthase 2
Ligand
BDBM50344882
Substrate
n/a
Meas. Tech.
ChEMBL_748672 (CHEMBL1780525)
IC50
910±n/a nM
Citation
 El-Sayed, MA; Abdel-Aziz, NI; Abdel-Aziz, AA; El-Azab, AS; Asiri, YA; Eltahir, KE Design, synthesis, and biological evaluation of substituted hydrazone and pyrazole derivatives as selective COX-2 inhibitors: Molecular docking study. Bioorg Med Chem 19:3416-24 (2011) [PubMed]  Article 
Target
Name:
Prostaglandin G/H synthase 2
Synonyms:
COX2 | Cyclooxygenase-1 (COX-1) | Cyclooxygenase-2 (COX-2) | PGH2_SHEEP | PTGS2 | Prostaglandin G/H synthase (Cyclooxygenase-2) | Prostaglandin G/H synthase (cyclooxygenase)
Type:
Protein
Mol. Mass.:
68976.98
Organism:
Ovis aries (Sheep)
Description:
n/a
Residue:
603
Sequence:
MLARALLLCAAVVCGAANPCCSHPCQNRGVCMSVGFDQYKCDCTRTGFYGENCTTPEFLTRIKLLLKPTPDTVHYILTHFKGVWNIVNKISFLRNMIMRYVLTSRSHLIESPPTYNVHYSYKSWEAFSNLSYYTRALPPVPDDCPTPMGVKGRKELPDSKEVVKKVLLRRKFIPDPQGTNLMFAFFAQHFTHQFFKTDIERGPAFTKGKNHGVDLSHVYGESLERQHNRRLFKDGKMKYQMINGEMYPPTVKDTQVEMIYPPHIPEHLKFAVGQEVFGLVPGLMMYATIWLREHNRVCDVLKQEHPEWGDEQLFQTSRLILIGETIKIVIEDYVQHLSGYHFKLKFDPELLFNQQFQYQNRIAAEFNTLYHWHPLLPDVFQIDGQEYNYQQFIYNNSVLLEHGVTQFVESFTRQIAGRVAGRRNLPAAVEKVSKASLDQSREMKYQSFNEYRKRFLLKPYESFEELTGEKEMAAELEALYGDIDAMELYPALLVEKPAPDAIFGETMVEAGAPFSLKGLMGNPICSPEYWKPSTFGGEVGFKIINTASIQSLICSNVKGCPFTSFSVQDAHLTKTVTINASSSHSGLDDINPTVLLKERSTEL
  
Inhibitor
Name:
BDBM50344882
Synonyms:
1-(4-Chlorophenyl)-2-(2-(4-bromophenyl)hydrazone)-4,4,4-trifuorobutane-1,3-dione | CHEMBL1780067
Type:
Small organic molecule
Emp. Form.:
C16H9BrClF3N2O2
Mol. Mass.:
433.607
SMILES:
FC(F)(F)C(=O)C(=NNc1ccc(Br)cc1)C(=O)c1ccc(Cl)cc1 |w:7.7|
Structure:
Search PDB for entries with ligand similarity: