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Target
Prostaglandin G/H synthase 1
Ligand
BDBM50110484
Substrate
n/a
Meas. Tech.
ChEMBL_638977 (CHEMBL1168960)
IC50
>10000±n/a nM
Citation
 Bridoux, A; Millet, R; Pommery, J; Pommery, N; Henichart, JP Synthesis and biological activity of N-aroyl-tetrahydro-gamma-carbolines. Bioorg Med Chem 18:3910-24 (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:
BDBM50110484
Synonyms:
3-((3-fluoro-5-(1-methoxycyclohexyl)phenoxy)methyl)-1-(4-(methylsulfonyl)phenyl)-5-phenyl-1H-pyrazole | 3-((3-fluoro-5-(4-methoxytetrahydro-2H-pyran-4-yl)phenoxy)methyl)-1-(4-(methylsulfonyl)phenyl)-5-phenyl-1H-pyrazole | 3-[3-Fluoro-5-(4-methoxy-tetrahydro-pyran-4-yl)-phenoxymethyl]-1-(4-methanesulfonyl-phenyl)-5-phenyl-1H-pyrazole | 3-[3-fluoro-5-(4-methoxytetrahydropyran-4-yl)phenoxymethyl]-1-(4-methanesulfonylphenyl)-5-phenyl-1Hpyrazole | CHEMBL423638
Type:
Small organic molecule
Emp. Form.:
C29H29FN2O5S
Mol. Mass.:
536.614
SMILES:
COC1(CCOCC1)c1cc(F)cc(OCc2cc(-c3ccccc3)n(n2)-c2ccc(cc2)S(C)(=O)=O)c1
Structure:
Search PDB for entries with ligand similarity: