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Target
Prostaglandin G/H synthase 2
Ligand
BDBM314872
Substrate
n/a
Meas. Tech.
Human PTGES Biochemical Enzyme Inhibition Assay
IC50
3.00±n/a nM
Citation
 Bräuer, N; Nagel, J; Irlbacher, H; Rotgeri, A; Schwede, W; Dahllöf, H; Koppitz, M; Peters, M; Godinho-Coelho, A Substituted pyridyl-cycloalkyl-carboxylic acids, compositions containing them and medical uses thereof US Patent  US10172814 Publication Date 1/8/2019 
Target
Name:
Prostaglandin G/H synthase 2
Synonyms:
COX2 | Cyclooxygenase | Cyclooxygenase 2 (COX-2) | Cyclooxygenase-2 | Cyclooxygenase-2 (COX-2 AA) | Cyclooxygenase-2 (COX-2 AEA) | Cyclooxygenase-2 (COX-2) | PGH synthase 2 | PGH2_HUMAN | PGHS-2 | PHS II | PTGS2 | Prostaglandin E synthase/G/H synthase 2 | Prostaglandin H2 synthase 2 | Prostaglandin-endoperoxide synthase 2
Type:
Enzyme
Mol. Mass.:
69003.89
Organism:
Homo sapiens (Human)
Description:
Recombinant Cox-2 provided by Cayman (Cayman Chemical Co.,Ann Arbor, MI).
Residue:
604
Sequence:
MLARALLLCAVLALSHTANPCCSHPCQNRGVCMSVGFDQYKCDCTRTGFYGENCSTPEFLTRIKLFLKPTPNTVHYILTHFKGFWNVVNNIPFLRNAIMSYVLTSRSHLIDSPPTYNADYGYKSWEAFSNLSYYTRALPPVPDDCPTPLGVKGKKQLPDSNEIVEKLLLRRKFIPDPQGSNMMFAFFAQHFTHQFFKTDHKRGPAFTNGLGHGVDLNHIYGETLARQRKLRLFKDGKMKYQIIDGEMYPPTVKDTQAEMIYPPQVPEHLRFAVGQEVFGLVPGLMMYATIWLREHNRVCDVLKQEHPEWGDEQLFQTSRLILIGETIKIVIEDYVQHLSGYHFKLKFDPELLFNKQFQYQNRIAAEFNTLYHWHPLLPDTFQIHDQKYNYQQFIYNNSILLEHGITQFVESFTRQIAGRVAGGRNVPPAVQKVSQASIDQSRQMKYQSFNEYRKRFMLKPYESFEELTGEKEMSAELEALYGDIDAVELYPALLVEKPRPDAIFGETMVEVGAPFSLKGLMGNVICSPAYWKPSTFGGEVGFQIINTASIQSLICNNVKGCPFTSFSVPDPELIKTVTINASSSRSGLDDINPTVLLKERSTEL
  
Inhibitor
Name:
BDBM314872
Synonyms:
(−) 3-{3-[(Cyclopentyl{3-fluoro-4-[5-(trifluoromethyl)pyridin-3-yl]phenyl}acetyl)amino]-2-methylphenyl}propanoic acid | US10172814, Example 48
Type:
Small organic molecule
Emp. Form.:
C29H28F4N2O3
Mol. Mass.:
528.5378
SMILES:
Cc1c(CCC(O)=O)cccc1NC(=O)C(C1CCCC1)c1ccc(c(F)c1)-c1cncc(c1)C(F)(F)F
Structure:
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