Reaction Details |
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Target | Prostaglandin G/H synthase 1 |
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Ligand | BDBM50063787 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_158939 (CHEMBL767827) |
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IC50 | 7000±n/a nM |
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Citation | Janusz, JM; Young, PA; Ridgeway, JM; Scherz, MW; Enzweiler, K; Wu, LI; Gan, L; Darolia, R; Matthews, RS; Hennes, D; Kellstein, DE; Green, SA; Tulich, JL; Rosario-Jansen, T; Magrisso, IJ; Wehmeyer, KR; Kuhlenbeck, DL; Eichhold, TH; Dobson, RL; Sirko, SP; Farmer, RW New cyclooxygenase-2/5-lipoxygenase inhibitors. 1. 7-tert-buty1-2,3-dihydro-3,3-dimethylbenzofuran derivatives as gastrointestinal safe antiinflammatory and analgesic agents: discovery and variation of the 5-keto substituent. J Med Chem41:1112-23 (1998) [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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BDBM50063787 |
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n/a |
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Name | BDBM50063787 |
Synonyms: | 1-(7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofuran-5-yl)-4-cyclopropyl-butan-1-one | 1-(7-tert-butyl-3,3-dimethyl-2,3-dihydrobenzofuran-5-yl)-4-cyclopropylbutan-1-one | CHEMBL13623 |
Type | Small organic molecule |
Emp. Form. | C21H30O2 |
Mol. Mass. | 314.4617 |
SMILES | CC(C)(C)c1cc(cc2c1OCC2(C)C)C(=O)CCCC1CC1 |
Structure |
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