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Target
Prostaglandin G/H synthase 1
Ligand
BDBM50331076
Substrate
n/a
Meas. Tech.
ChEMBL_687846 (CHEMBL1291410)
IC50
500±n/a nM
Citation
 Wang, JL; Aston, K; Limburg, D; Ludwig, C; Hallinan, AE; Koszyk, F; Hamper, B; Brown, D; Graneto, M; Talley, J; Maziasz, T; Masferrer, J; Carter, J The novel benzopyran class of selective cyclooxygenase-2 inhibitors. Part III: the three microdose candidates. Bioorg Med Chem Lett 20:7164-8 (2010) [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:
BDBM50331076
Synonyms:
(S)-8-ethyl-6-(trifluoromethoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid | CHEMBL1290684
Type:
Small organic molecule
Emp. Form.:
C14H10F6O4
Mol. Mass.:
356.2172
SMILES:
CCc1cc(OC(F)(F)F)cc2C=C([C@H](Oc12)C(F)(F)F)C(O)=O |r,c:12|
Structure:
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