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Target
Prostaglandin G/H synthase 1
Ligand
BDBM50099001
Substrate
n/a
Meas. Tech.
ChEBML_158933
IC50
>100000±n/a nM
Citation
 Chauret, N; Yergey, JA; Brideau, C; Friesen, RW; Mancini, J; Riendeau, D; Silva, J; Styhler, A; Trimble, LA; Nicoll-Griffith, DA In vitro metabolism considerations, including activity testing of metabolites, in the discovery and selection of the COX-2 inhibitor etoricoxib (MK-0663). Bioorg Med Chem Lett 11:1059-62 (2001) [PubMed]  Article 
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:
BDBM50099001
Synonyms:
CHEMBL10042 | [5-Chloro-3-(4-methanesulfonyl-phenyl)-[2,3']bipyridinyl-6'-yl]-methanol
Type:
Small organic molecule
Emp. Form.:
C18H15ClN2O3S
Mol. Mass.:
374.841
SMILES:
CS(=O)(=O)c1ccc(cc1)-c1cc(Cl)cnc1-c1ccc(CO)nc1
Structure:
Search PDB for entries with ligand similarity: