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Target
Prostaglandin G/H synthase 1
Ligand
BDBM50297687
Substrate
n/a
Meas. Tech.
ChEMBL_583893 (CHEMBL1059945)
IC50
4038±n/a nM
Citation
 Swarbrick, ME; Beswick, PJ; Gleave, RJ; Green, RH; Bingham, S; Bountra, C; Carter, MC; Chambers, LJ; Chessell, IP; Clayton, NM; Collins, SD; Corfield, JA; Hartley, CD; Kleanthous, S; Lambeth, PF; Lucas, FS; Mathews, N; Naylor, A; Page, LW; Payne, JJ; Pegg, NA; Price, HS; Skidmore, J; Stevens, AJ; Stocker, R; Stratton, SC; Stuart, AJ; Wiseman, JO Identification of [4-[4-(methylsulfonyl)phenyl]-6-(trifluoromethyl)-2-pyrimidinyl] amines and ethers as potent and selective cyclooxygenase-2 inhibitors. Bioorg Med Chem Lett 19:4504-8 (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:
Human
Description:
P23219
Residue:
599
Sequence:
MSRSLLLWFLLFLLLLPPLPVLLADPGAPTPVNPCCYYPCQHQGICVRFGLDRYQCDCTRTGYSGPNCTIPGLWTWLRNSLRPSPSFTHFLLTHGRWFWEFVNATFIREMLMRLVLTVRSNLIPSPPTYNSAHDYISWESFSNVSYYTRILPSVPKDCPTPMGTKGKKQLPDAQLLARRFLLRRKFIPDPQGTNLMFAFFAQHFTHQFFKTSGKMGPGFTKALGHGVDLGHIYGDNLERQYQLRLFKDGKLKYQVLDGEMYPPSVEEAPVLMHYPRGIPPQSQMAVGQEVFGLLPGLMLYATLWLREHNRVCDLLKAEHPTWGDEQLFQTTRLILIGETIKIVIEEYVQQLSGYFLQLKFDPELLFGVQFQYRNRIAMEFNHLYHWHPLMPDSFKVGSQEYSYEQFLFNTSMLVDYGVEALVDAFSRQIAGRIGGGRNMDHHILHVAVDVIRESREMRLQPFNEYRKRFGMKPYTSFQELVGEKEMAAELEELYGDIDALEFYPGLLLEKCHPNSIFGESMIEIGAPFSLKGLLGNPICSPEYWKPSTFGGEVGFNIVKTATLKKLVCLNTKTCPYVSFRVPDASQDDGPAVERPSTEL
  
Inhibitor
Name:
BDBM50297687
Synonyms:
2-(cyclopentyloxy)-4-(4-(methylsulfonyl)phenyl)-6-(trifluoromethyl)pyrimidine | CHEMBL551418
Type:
Small organic molecule
Emp. Form.:
C17H17F3N2O3S
Mol. Mass.:
386.389
SMILES:
CS(=O)(=O)c1ccc(cc1)-c1cc(nc(OC2CCCC2)n1)C(F)(F)F
Structure:
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