Reaction Details Report a problem with these data
Target
Prostaglandin G/H synthase 2
Ligand
BDBM315242
Substrate
n/a
Meas. Tech.
Human PTGES Biochemical Enzyme Inhibition Assay
IC50
13.5±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:
BDBM315242
Synonyms:
3-(3-{[(2R)-2-cyclopentyl-2-{4-[6-methyl-5-(trifluoromethyl)pyridin-3-yl]phenyl}acetyl]amino}-2-methylphenyl)propanoic acid | US10172814, Example 192
Type:
Small organic molecule
Emp. Form.:
C30H31F3N2O3
Mol. Mass.:
524.5739
SMILES:
Cc1ncc(cc1C(F)(F)F)-c1ccc(cc1)[C@@H](C1CCCC1)C(=O)Nc1cccc(CCC(O)=O)c1C |r|
Structure:
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