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Target
Prostaglandin G/H synthase 1
Ligand
BDBM50343912
Substrate
n/a
Meas. Tech.
ChEMBL_747535 (CHEMBL1777069)
IC50
>100000±n/a nM
Citation
 Chen, Z; Wu, Y; Liu, Y; Yang, S; Chen, Y; Lai, L Discovery of dual target inhibitors against cyclooxygenases and leukotriene A4 hydrolyase. J Med Chem 54:3650-60 (2011) [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:
BDBM50343912
Synonyms:
1-(2-(4-(2-(Trifluoromethyl)phenoxy)phenoxy)ethyl)pyrrolidine | CHEMBL1775099
Type:
Small organic molecule
Emp. Form.:
C19H20F3NO2
Mol. Mass.:
351.3628
SMILES:
FC(F)(F)c1ccccc1Oc1ccc(OCCN2CCCC2)cc1
Structure:
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