Reaction Details |
| Report a problem with these data |
Target | Prostaglandin G/H synthase 1 |
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Ligand | BDBM50120573 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEBML_158754 |
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IC50 | >86000±n/a nM |
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Citation | Leblanc, Y; Roy, P; Wang, Z; Li, CS; Chauret, N; Nicoll-Griffith, DA; Silva, JM; Aubin, Y; Yergey, JA; Chan, CC; Riendeau, D; Brideau, C; Gordon, R; Xu, L; Webb, J; Visco, DM; Prasit, P Discovery of a potent and selective COX-2 inhibitor in the alkoxy lactone series with optimized metabolic profile. Bioorg Med Chem Lett12:3317-20 (2002) [PubMed] |
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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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BDBM50120573 |
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n/a |
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Name | BDBM50120573 |
Synonyms: | (S)-5-Ethyl-3-isopropoxy-4-(4-methanesulfonyl-phenyl)-5-methyl-5H-furan-2-one | 5-Ethyl-3-isopropoxy-4-(4-methanesulfonyl-phenyl)-5-methyl-5H-furan-2-one | CHEMBL443278 |
Type | Small organic molecule |
Emp. Form. | C17H22O5S |
Mol. Mass. | 338.419 |
SMILES | CC[C@]1(C)OC(=O)C(OC(C)C)=C1c1ccc(cc1)S(C)(=O)=O |c:11| |
Structure |
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