| Reaction Details |
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 | Report a problem with these data |
| Target | Prostaglandin G/H synthase 1 |
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| Ligand | BDBM50388954 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_832836 (CHEMBL2066349) |
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| IC50 | 495±n/a nM |
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| Citation |  Liedtke, AJ; Crews, BC; Daniel, CM; Blobaum, AL; Kingsley, PJ; Ghebreselasie, K; Marnett, LJ Cyclooxygenase-1-selective inhibitors based on the (E)-2'-des-methyl-sulindac sulfide scaffold. J Med Chem55:2287-300 (2012) [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 |
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| Synonyms: | COX-1 | COX1 | Cyclooxygenase | Cyclooxygenase-1 | Cyclooxygenase-1 (COX-1) | PGH1_HUMAN | PTGS1 | Prostaglandin G/H synthase (cyclooxygenase) |
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| Type: | Enzyme |
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| Mol. Mass.: | 68692.62 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P23219 |
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| Residue: | 599 |
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| Sequence: | MSRSLLLWFLLFLLLLPPLPVLLADPGAPTPVNPCCYYPCQHQGICVRFGLDRYQCDCTR
TGYSGPNCTIPGLWTWLRNSLRPSPSFTHFLLTHGRWFWEFVNATFIREMLMRLVLTVRS
NLIPSPPTYNSAHDYISWESFSNVSYYTRILPSVPKDCPTPMGTKGKKQLPDAQLLARRF
LLRRKFIPDPQGTNLMFAFFAQHFTHQFFKTSGKMGPGFTKALGHGVDLGHIYGDNLERQ
YQLRLFKDGKLKYQVLDGEMYPPSVEEAPVLMHYPRGIPPQSQMAVGQEVFGLLPGLMLY
ATLWLREHNRVCDLLKAEHPTWGDEQLFQTTRLILIGETIKIVIEEYVQQLSGYFLQLKF
DPELLFGVQFQYRNRIAMEFNHLYHWHPLMPDSFKVGSQEYSYEQFLFNTSMLVDYGVEA
LVDAFSRQIAGRIGGGRNMDHHILHVAVDVIRESREMRLQPFNEYRKRFGMKPYTSFQEL
VGEKEMAAELEELYGDIDALEFYPGLLLEKCHPNSIFGESMIEIGAPFSLKGLLGNPICS
PEYWKPSTFGGEVGFNIVKTATLKKLVCLNTKTCPYVSFRVPDASQDDGPAVERPSTEL
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| BDBM50388954 |
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| n/a |
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| Name | BDBM50388954 |
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| Synonyms: | CHEMBL2063559 |
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| Type | Small organic molecule |
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| Emp. Form. | C25H17F4NO3S |
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| Mol. Mass. | 487.466 |
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| SMILES | Fc1ccc2\C(=C\c3ccc(cc3)-c3ccccc3)C=C(CC(=O)NS(=O)(=O)C(F)(F)F)c2c1 |t:21| |
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| Structure | 
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