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Target
Prostaglandin G/H synthase 1
Ligand
BDBM50341142
Substrate
n/a
Meas. Tech.
ChEMBL_809726 (CHEMBL2016145)
IC50
39200±n/a nM
Citation
 Takahashi, T; Miyazawa, M N-Caffeoyl serotonin as selective COX-2 inhibitor. Bioorg Med Chem Lett 22:2494-6 (2012) [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:
BDBM50341142
Synonyms:
(E)-3-(4-Hydroxy-3,5-dimethoxy-phenyl)-acrylic acid | 3-(3,4,5-trimethoxyphenyl)acrylic acid | 3-(4-hydroxy-3,5-dimethoxyphenyl)-(E)-2-propenoic acid | 3-(4-hydroxy-3,5-dimethoxyphenyl)acrylic acid | CHEMBL109341 | SINAPINATE | Sinapic acid
Type:
Small organic molecule
Emp. Form.:
C11H12O5
Mol. Mass.:
224.21
SMILES:
COc1cc(\C=C\C(O)=O)cc(OC)c1O
Structure:
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