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Target
Prostaglandin G/H synthase 1
Ligand
BDBM50331881
Substrate
n/a
Meas. Tech.
ChEMBL_687105 (CHEMBL1291682)
IC50
140±n/a nM
Citation
 Wang, JL; Carter, J; Kiefer, JR; Kurumbail, RG; Pawlitz, JL; Brown, D; Hartmann, SJ; Graneto, MJ; Seibert, K; Talley, JJ The novel benzopyran class of selective cyclooxygenase-2 inhibitors-part I: the first clinical candidate. Bioorg Med Chem Lett 20:7155-8 (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:
BDBM50331881
Synonyms:
6-chloro-2-(trifluoromethyl)-8-vinyl-2H-chromene-3-carboxylic acid | CHEMBL1288618
Type:
Small organic molecule
Emp. Form.:
C13H8ClF3O3
Mol. Mass.:
304.649
SMILES:
OC(=O)C1=Cc2cc(Cl)cc(C=C)c2OC1C(F)(F)F |t:3|
Structure:
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