| Reaction Details |
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 | Report a problem with these data |
| Target | Prostaglandin G/H synthase 1 |
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| Ligand | BDBM11639 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_832832 (CHEMBL2066345) |
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| IC50 | 15000±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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| BDBM11639 |
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| n/a |
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| Name | BDBM11639 |
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| Synonyms: | 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzene-1-sulfonamide | CHEMBL118 | CLX | Celebrex | Celecoxib | US10322118, Urea-Based Scaffold Entry 9 | US11478464, Compound Celecoxib | US11786535, Compound Celecoxib | US8741944, Comparative Compound | US9388139, Celecoxib | cid_2662 |
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| Type | Small organic molecule |
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| Emp. Form. | C17H14F3N3O2S |
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| Mol. Mass. | 381.372 |
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| SMILES | Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F |
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| Structure | 
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