Reaction Details |
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Target | Prostaglandin G/H synthase 1 |
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Ligand | BDBM50336013 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_717096 (CHEMBL1671272) |
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IC50 | 4340±n/a nM |
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Citation | Xing, L; Hamper, BC; Fletcher, TR; Wendling, JM; Carter, J; Gierse, JK; Liao, S Structure-based parallel medicinal chemistry approach to improve metabolic stability of benzopyran COX-2 inhibitors. Bioorg Med Chem Lett21:993-6 (2011) [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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BDBM50336013 |
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n/a |
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Name | BDBM50336013 |
Synonyms: | 6-chloro-8-p-tolyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid | CHEMBL1669034 |
Type | Small organic molecule |
Emp. Form. | C18H12ClF3O3 |
Mol. Mass. | 368.734 |
SMILES | Cc1ccc(cc1)-c1cc(Cl)cc2C=C(C(Oc12)C(F)(F)F)C(O)=O |c:14| |
Structure |
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