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Target
Prostaglandin G/H synthase 2
Ligand
BDBM50220443
Substrate
n/a
Meas. Tech.
ChEMBL_449250 (CHEMBL899512)
IC50
2300±n/a nM
Citation
 Abdellatif, KR; Dong, Y; Chen, QH; Chowdhury, MA; Knaus, EE Novel (E)-2-(aryl)-3-(4-methanesulfonylphenyl)acrylic ester prodrugs possessing a diazen-1-ium-1,2-diolate moiety: design, synthesis, cyclooxygenase inhibition, and nitric oxide release studies. Bioorg Med Chem 15:6796-801 (2007) [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:
BDBM50220443
Synonyms:
CHEMBL239645 | O2-[(E)-2-(4-fluorophenyl)-3-(4-methanesulfonylphenyl)acryloyloxymethyl]-1-(N,N-diethylamino)diazen-1-ium-1,2-diolate
Type:
Small organic molecule
Emp. Form.:
C21H24FN3O6S
Mol. Mass.:
465.495
SMILES:
CCN(CC)N([O-])N=[O+]COC(=O)C(=Cc1ccc(cc1)S(C)(=O)=O)c1ccc(F)cc1 |w:14.14,8.8|
Structure:
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