Reaction Details |
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Target | Prostaglandin G/H synthase 2 |
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Ligand | BDBM50046904 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_43996 (CHEMBL655563) |
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IC50 | >20000±n/a nM |
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Citation | Song, Y; Connor, DT; Sercel, AD; Sorenson, RJ; Doubleday, R; Unangst, PC; Roth, BD; Beylin, VG; 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. 2. 1,3,4- and 1,2,4-thiadiazole series. J Med Chem42:1161-9 (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 2 |
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Name: | Prostaglandin G/H synthase 2 |
Synonyms: | COX2 | Cyclooxygenase | Cyclooxygenase 2 (COX-2) | Cyclooxygenase-2 | Cyclooxygenase-2 (COX-2 AA) | Cyclooxygenase-2 (COX-2 AEA) | Cyclooxygenase-2 (COX-2) | PGH synthase 2 | PGH2_HUMAN | PGHS-2 | PHS II | PTGS2 | Prostaglandin E synthase/G/H synthase 2 | Prostaglandin H2 synthase 2 | Prostaglandin-endoperoxide synthase 2 |
Type: | Enzyme |
Mol. Mass.: | 69003.89 |
Organism: | Homo sapiens (Human) |
Description: | Recombinant Cox-2 provided by Cayman (Cayman Chemical Co.,Ann Arbor, MI). |
Residue: | 604 |
Sequence: | MLARALLLCAVLALSHTANPCCSHPCQNRGVCMSVGFDQYKCDCTRTGFYGENCSTPEFL
TRIKLFLKPTPNTVHYILTHFKGFWNVVNNIPFLRNAIMSYVLTSRSHLIDSPPTYNADY
GYKSWEAFSNLSYYTRALPPVPDDCPTPLGVKGKKQLPDSNEIVEKLLLRRKFIPDPQGS
NMMFAFFAQHFTHQFFKTDHKRGPAFTNGLGHGVDLNHIYGETLARQRKLRLFKDGKMKY
QIIDGEMYPPTVKDTQAEMIYPPQVPEHLRFAVGQEVFGLVPGLMMYATIWLREHNRVCD
VLKQEHPEWGDEQLFQTSRLILIGETIKIVIEDYVQHLSGYHFKLKFDPELLFNKQFQYQ
NRIAAEFNTLYHWHPLLPDTFQIHDQKYNYQQFIYNNSILLEHGITQFVESFTRQIAGRV
AGGRNVPPAVQKVSQASIDQSRQMKYQSFNEYRKRFMLKPYESFEELTGEKEMSAELEAL
YGDIDAVELYPALLVEKPRPDAIFGETMVEVGAPFSLKGLMGNVICSPAYWKPSTFGGEV
GFQIINTASIQSLICNNVKGCPFTSFSVPDPELIKTVTINASSSRSGLDDINPTVLLKER
STEL
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BDBM50046904 |
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n/a |
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Name | BDBM50046904 |
Synonyms: | 5-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-3H-[1,3,4]oxadiazol-2-one | 5-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-[1,3,4]oxadiazol-2-ol | CHEMBL16977 |
Type | Small organic molecule |
Emp. Form. | C16H22N2O3 |
Mol. Mass. | 290.3575 |
SMILES | CC(C)(C)c1cc(cc(c1O)C(C)(C)C)-c1n[nH]c(=O)o1 |
Structure |
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