| Reaction Details |
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 | Report a problem with these data |
| Target | Prostaglandin G/H synthase 1 |
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| Ligand | BDBM50542723 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1987864 (CHEMBL4621411) |
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| IC50 | 3300±n/a nM |
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| Citation |  Lorthiois, E; Roache, J; Barnes-Seeman, D; Altmann, E; Hassiepen, U; Turner, G; Duvadie, R; Hornak, V; Karki, RG; Schiering, N; Weihofen, WA; Perruccio, F; Calhoun, A; Fazal, T; Dedic, D; Durand, C; Dussauge, S; Fettis, K; Tritsch, F; Dentel, C; Druet, A; Liu, D; Kirman, L; Lachal, J; Namoto, K; Bevan, D; Mo, R; Monnet, G; Muller, L; Zessis, R; Huang, X; Lindsley, L; Currie, T; Chiu, YH; Fridrich, C; Delgado, P; Wang, S; Hollis-Symynkywicz, M; Berghausen, J; Williams, E; Liu, H; Liang, G; Kim, H; Hoffmann, P; Hein, A; Ramage, P; D'Arcy, A; Harlfinger, S; Renatus, M; Ruedisser, S; Feldman, D; Elliott, J; Sedrani, R; Maibaum, J; Adams, CM Structure-Based Design and Preclinical Characterization of Selective and Orally Bioavailable Factor XIa Inhibitors: Demonstrating the Power of an Integrated S1 Protease Family Approach. J Med Chem63:8088-8113 (2020) [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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| BDBM50542723 |
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| n/a |
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| Name | BDBM50542723 |
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| Synonyms: | CHEMBL4643449 |
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| Type | Small organic molecule |
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| Emp. Form. | C26H27NO4 |
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| Mol. Mass. | 417.4969 |
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| SMILES | CC(C)c1cc(COc2ccccc2CC(O)=O)cc(c1)-c1ccc2OC[C@@H](N)c2c1 |r| |
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| Structure | 
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