Reaction Details |
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Target | Prostaglandin G/H synthase 1 |
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Ligand | BDBM50297707 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_583915 (CHEMBL1059967) |
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IC50 | >100000±n/a nM |
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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 Lett19:4509-14 (2009) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Prostaglandin G/H synthase 1 |
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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: | MSRSLLLWFLLFLLLLPPLPVLLADPGAPTPVNPCCYYPCQHQGICVRFGLDRYQCDCTR
TGYSGPNCTIPGLWTWLRNSLRPSPSFTHFLLTHGRWFWEFVNATFIREMLMRLVLTVRS
NLIPSPPTYNSAHDYISWESFSNVSYYTRILPSVPKDCPTPMGTKGKKQLPDAQLLARRF
LLRRKFIPDPQGTNLMFAFFAQHFTHQFFKTSGKMGPGFTKALGHGVDLGHIYGDNLERQ
YQLRLFKDGKLKYQVLDGEMYPPSVEEAPVLMHYPRGIPPQSQMAVGQEVFGLLPGLMLY
ATLWLREHNRVCDLLKAEHPTWGDEQLFQTTRLILIGETIKIVIEEYVQQLSGYFLQLKF
DPELLFGVQFQYRNRIAMEFNHLYHWHPLMPDSFKVGSQEYSYEQFLFNTSMLVDYGVEA
LVDAFSRQIAGRIGGGRNMDHHILHVAVDVIRESREMRLQPFNEYRKRFGMKPYTSFQEL
VGEKEMAAELEELYGDIDALEFYPGLLLEKCHPNSIFGESMIEIGAPFSLKGLLGNPICS
PEYWKPSTFGGEVGFNIVKTATLKKLVCLNTKTCPYVSFRVPDASQDDGPAVERPSTEL
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BDBM50297707 |
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n/a |
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Name | BDBM50297707 |
Synonyms: | 4-(4-fluorophenyl)-5-(4-(methylsulfonyl)phenyl)-2-(phenylthio)pyrimidine | CHEMBL559422 |
Type | Small organic molecule |
Emp. Form. | C23H17FN2O2S2 |
Mol. Mass. | 436.522 |
SMILES | CS(=O)(=O)c1ccc(cc1)-c1cnc(Sc2ccccc2)nc1-c1ccc(F)cc1 |
Structure |
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