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Target
Prostaglandin G/H synthase 2
Ligand
BDBM50344877
Substrate
n/a
Meas. Tech.
ChEMBL_748672 (CHEMBL1780525)
IC50
45000±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:
BDBM50344877
Synonyms:
1-(4-Chlorophenyl)-3-(5-(4-chlorophenyl)-1-phenyl-3-(trifluoromethyl)-1H-pyrazol-4-yl))prop-2-en-1-one | CHEMBL1780082
Type:
Small organic molecule
Emp. Form.:
C25H15Cl2F3N2O
Mol. Mass.:
487.301
SMILES:
FC(F)(F)c1nn(c(c1\C=C\C(=O)c1ccc(Cl)cc1)-c1ccc(Cl)cc1)-c1ccccc1
Structure:
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