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Target
Prostaglandin G/H synthase 2
Ligand
BDBM22355
Substrate
n/a
Meas. Tech.
ChEMBL_321318 (CHEMBL882588)
IC50
10000±n/a nM
Citation
 Rao, PN; Chen, QH; Knaus, EE Synthesis and biological evaluation of 1,3-diphenylprop-2-yn-1-ones as dual inhibitors of cyclooxygenases and lipoxygenases. Bioorg Med Chem Lett 15:4842-5 (2005) [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:
BDBM22355
Synonyms:
1,3-Diarylprop-2-yn-1-one, 13l | 3-(4-methanesulfonylphenyl)-1-(3-methoxyphenyl)prop-2-yn-1-one | CHEMBL194298
Type:
Small organic molecule
Emp. Form.:
C17H14O4S
Mol. Mass.:
314.356
SMILES:
COc1cccc(c1)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
Structure:
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