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Target
Prostaglandin G/H synthase 1
Ligand
BDBM50297697
Substrate
n/a
Meas. Tech.
ChEMBL_583915 (CHEMBL1059967)
IC50
>100000±n/a nM
Citation
 Beswick, PJ; Blackaby, AP; Bountra, C; Brown, T; Browning, K; Campbell, IB; Corfield, J; Gleave, RJ; Guntrip, SB; Hall, RM; Hindley, S; Lambeth, PF; Lucas, F; Mathews, N; Naylor, A; Player, H; Price, HS; Sidebottom, PJ; Taylor, NL; Webb, G; Wiseman, J Identification and optimisation of a novel series of pyrimidine based cyclooxygenase-2 (COX-2) inhibitors. Utilisation of a biotransformation approach. Bioorg Med Chem Lett 19:4509-14 (2009) [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:
BDBM50297697
Synonyms:
4-(4-fluorophenyl)-5-(4-(methylsulfonyl)phenyl)-N-phenylpyrimidin-2-amine | CHEMBL564962
Type:
Small organic molecule
Emp. Form.:
C23H18FN3O2S
Mol. Mass.:
419.471
SMILES:
CS(=O)(=O)c1ccc(cc1)-c1cnc(Nc2ccccc2)nc1-c1ccc(F)cc1
Structure:
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