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Target
Prostaglandin G/H synthase 2
Ligand
BDBM50035937
Substrate
n/a
Meas. Tech.
ChEMBL_1436537 (CHEMBL3382316)
IC50
3330±n/a nM
Citation
 Alegaon, SG; Hirpara, MB; Alagawadi, KR; Hullatti, KK; Kashniyal, K Synthesis of novel pyrazole?thiadiazole hybrid as potential potent and selective cyclooxygenase-2 (COX-2) inhibitors. Bioorg Med Chem Lett 24:5324-9 (2015) [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:
BDBM50035937
Synonyms:
CHEMBL3338734
Type:
Small organic molecule
Emp. Form.:
C28H25N5O3S
Mol. Mass.:
511.595
SMILES:
COc1ccc(cc1)-c1nn(cc1C1SC(=NN1C(C)=O)N(C(C)=O)c1ccccc1)-c1ccccc1 |c:17|
Structure:
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