Reaction Details |
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Target | Prostaglandin G/H synthase 1 |
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Ligand | BDBM50029593 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_158730 (CHEMBL768738) |
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IC50 | 3300±n/a nM |
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Citation | Song, Y; Connor, DT; Doubleday, R; Sorenson, RJ; Sercel, AD; Unangst, PC; Roth, BD; Gilbertsen, RB; Chan, K; Schrier, DJ; Guglietta, A; Bornemeier, DA; Dyer, RD Synthesis, structure-activity relationships, and in vivo evaluations of substituted di-tert-butylphenols as a novel class of potent, selective, and orally active cyclooxygenase-2 inhibitors. 1. Thiazolone and oxazolone series. J Med Chem42:1151-60 (1999) [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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BDBM50029593 |
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n/a |
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Name | BDBM50029593 |
Synonyms: | CHEMBL7162 | N-(2-(cyclohexyloxy)-4-nitrophenyl)methanesulfonamide | N-(2-Cyclohexyloxy-4-nitro-phenyl)-methanesulfonamide | N-(2-Cyclohexyloxy-4-nitro-phenyl)-methanesulfonamide(NS-398) | N-[2-(cyclohexyloxy)-4-nitrophenyl]methane sulfonamide | N-[2-(cyclohexyloxy)-4-nitrophenyl]methanesulfonamide | N-{2-(cyclohexyloxy)-4-[hydroxy(oxido)amino]phenyl}methanesulfonamide | NS-398 | NS398 |
Type | Small organic molecule |
Emp. Form. | C13H18N2O5S |
Mol. Mass. | 314.357 |
SMILES | CS(=O)(=O)Nc1ccc(cc1OC1CCCCC1)[N+]([O-])=O |
Structure |
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