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Target
Prostaglandin G/H synthase 2
Ligand
BDBM50134831
Substrate
n/a
Meas. Tech.
ChEMBL_157990 (CHEMBL769472)
IC50
100±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:
BDBM50134831
Synonyms:
6-Ethoxy-4-(4-fluoro-phenyl)-3-(4-methanesulfonyl-phenyl)-pyran-2-one | CHEMBL144781
Type:
Small organic molecule
Emp. Form.:
C20H17FO5S
Mol. Mass.:
388.409
SMILES:
CCOc1cc(-c2ccc(F)cc2)c(-c2ccc(cc2)S(C)(=O)=O)c(=O)o1
Structure:
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