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Target
Prostaglandin G/H synthase 1
Ligand
BDBM50110485
Substrate
n/a
Meas. Tech.
ChEMBL_158938 (CHEMBL767826)
IC50
38000±n/a nM
Citation
 Barbey, S; Goossens, L; Taverne, T; Cornet, J; Choesmel, V; Rouaud, C; Gimeno, G; Yannic-Arnoult, S; Michaux, C; Charlier, C; Houssin, R; Hénichart, JP Synthesis and activity of a new methoxytetrahydropyran derivative as dual cyclooxygenase-2/5-lipoxygenase inhibitor. Bioorg Med Chem Lett 12:779-82 (2002) [PubMed]
Target
Name:
Prostaglandin G/H synthase 1
Synonyms:
COX-1 | COX1 | Cyclooxygenase | Cyclooxygenase-1 | Cyclooxygenase-1 (COX-1) | PGH1_HUMAN | PTGS1 | Prostaglandin G/H synthase (cyclooxygenase)
Type:
Enzyme
Mol. Mass.:
68692.62
Organism:
Homo sapiens (Human)
Description:
P23219
Residue:
599
Sequence:
MSRSLLLWFLLFLLLLPPLPVLLADPGAPTPVNPCCYYPCQHQGICVRFGLDRYQCDCTRTGYSGPNCTIPGLWTWLRNSLRPSPSFTHFLLTHGRWFWEFVNATFIREMLMRLVLTVRSNLIPSPPTYNSAHDYISWESFSNVSYYTRILPSVPKDCPTPMGTKGKKQLPDAQLLARRFLLRRKFIPDPQGTNLMFAFFAQHFTHQFFKTSGKMGPGFTKALGHGVDLGHIYGDNLERQYQLRLFKDGKLKYQVLDGEMYPPSVEEAPVLMHYPRGIPPQSQMAVGQEVFGLLPGLMLYATLWLREHNRVCDLLKAEHPTWGDEQLFQTTRLILIGETIKIVIEEYVQQLSGYFLQLKFDPELLFGVQFQYRNRIAMEFNHLYHWHPLMPDSFKVGSQEYSYEQFLFNTSMLVDYGVEALVDAFSRQIAGRIGGGRNMDHHILHVAVDVIRESREMRLQPFNEYRKRFGMKPYTSFQELVGEKEMAAELEELYGDIDALEFYPGLLLEKCHPNSIFGESMIEIGAPFSLKGLLGNPICSPEYWKPSTFGGEVGFNIVKTATLKKLVCLNTKTCPYVSFRVPDASQDDGPAVERPSTEL
  
Inhibitor
Name:
BDBM50110485
Synonyms:
5-(4-Chloro-phenyl)-3-[3-fluoro-5-(4-methoxy-tetrahydro-pyran-4-yl)-phenoxymethyl]-pyrazole-1-sulfonic acid amide | CHEMBL349370
Type:
Small organic molecule
Emp. Form.:
C22H23ClFN3O5S
Mol. Mass.:
495.952
SMILES:
COC1(CCOCC1)c1cc(F)cc(OCc2cc(-c3ccc(Cl)cc3)n(n2)S(N)(=O)=O)c1
Structure:
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