| Reaction Details |
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 | Report a problem with these data |
| Target | Prostaglandin G/H synthase 1 |
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| Ligand | BDBM50566913 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2101966 (CHEMBL4810362) |
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| IC50 | >50000±n/a nM |
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| Citation |  Zhang, Z; Ghosh, A; Connolly, PJ; King, P; Wilde, T; Wang, J; Dong, Y; Li, X; Liao, D; Chen, H; Tian, G; Suarez, J; Bonnette, WG; Pande, V; Diloreto, KA; Shi, Y; Patel, S; Pietrak, B; Szewczuk, L; Sensenhauser, C; Dallas, S; Edwards, JP; Bachman, KE; Evans, DC Gut-Restricted Selective Cyclooxygenase-2 (COX-2) Inhibitors for Chemoprevention of Colorectal Cancer. J Med Chem64:11570-11596 (2021) [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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| BDBM50566913 |
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| n/a |
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| Name | BDBM50566913 |
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| Synonyms: | CHEMBL4857474 |
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| Type | Small organic molecule |
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| Emp. Form. | C19H27N3O6S |
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| Mol. Mass. | 425.499 |
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| SMILES | CCCCOc1nc(OCC(C)(C)O)c(cc1CO)-c1ccc(cn1)S(N)(=O)=O |
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| Structure | 
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