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Target
Prostaglandin G/H synthase 2
Ligand
BDBM50134834
Substrate
n/a
Meas. Tech.
ChEMBL_157990 (CHEMBL769472)
IC50
53300±n/a nM
Citation
 Praveen Rao, PN; Amini, M; Li, H; Habeeb, AG; Knaus, EE Design, synthesis, and biological evaluation of 6-substituted-3-(4-methanesulfonylphenyl)-4-phenylpyran-2-ones: a novel class of diarylheterocyclic selective cyclooxygenase-2 inhibitors. J Med Chem 46:4872-82 (2003) [PubMed]  Article 
Target
Name:
Prostaglandin G/H synthase 2
Synonyms:
COX2 | Cyclooxygenase | Cyclooxygenase-2 | PGH synthase 2 | PGH2_BOVIN | PGHS-2 | PHS II | PTGS2 | Prostaglandin H2 synthase 2 | Prostaglandin-endoperoxide synthase 2
Type:
PROTEIN
Mol. Mass.:
69173.20
Organism:
Bos taurus
Description:
ChEMBL_157990
Residue:
604
Sequence:
MLARALLLCAAVALSGAANPCCSHPCQNRGVCMSVGFDQYKCDCTRTGFYGENCTTPEFLTRIKLLLKPTPNTVHYILTHFKGVWNIVNKISFLRNMIMRYVLTSRSHLIESPPTYNVHYSYKSWEAFSNLSYYTRALPPVPDDCPTPMGVKGRKELPDSKEVVKKVLLRRKFIPDPQGTNLMFAFFAQHFTHQFFKTDFERGPAFTKGKNHGVDLSHIYGESLERQHKLRLFKDGKMKYQMINGEMYPPTVKDTQVEMIYPPHVPEHLKFAVGQEVFGLVPGLMMYATIWLREHNRVCDVLKQEHPEWGDEQLFQTSRLILIGETIKIVIEDYVQHLSGYHFKLKFDPELLFNQQFQYQNRIAAEFNTLYHWHPLLPDVFQIDGQEYNYQQFIYNNSVLLEHGLTQFVESFTRQRAGRVAGGRNLPVAVEKVSKASIDQSREMKYQSFNEYRKRFLVKPYESFEELTGEKEMAAELEALYGDIDAMEFYPALLVEKPRPDAIFGETMVEAGAPFSLKGLMGNPICSPEYWKPSTFGGEVGFKIINTASIQSLICSNVKGCPFTSFSVQDTHLTKTVTINASSSHSGLDDINPTVLLKERSTEL
  
Inhibitor
Name:
BDBM50134834
Synonyms:
6-(4-Chloro-benzyloxy)-4-(4-fluoro-phenyl)-3-(4-methanesulfonyl-phenyl)-pyran-2-one | CHEMBL357196
Type:
Small organic molecule
Emp. Form.:
C25H18ClFO5S
Mol. Mass.:
484.924
SMILES:
CS(=O)(=O)c1ccc(cc1)-c1c(cc(OCc2ccc(Cl)cc2)oc1=O)-c1ccc(F)cc1
Structure:
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