Reaction Details |
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Target | Prostaglandin G/H synthase 2 |
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Ligand | BDBM50029600 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_583916 (CHEMBL1059968) |
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IC50 | 2±n/a nM |
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Citation | Beswick, PJ; Blackaby, AP; Bountra, C; Brown, T; Browning, K; Campbell, IB; Corfield, J; Gleave, RJ; Guntrip, SB; Hall, RM; Hindley, S; Lambeth, PF; Lucas, F; Mathews, N; Naylor, A; Player, H; Price, HS; Sidebottom, PJ; Taylor, NL; Webb, G; Wiseman, J Identification and optimisation of a novel series of pyrimidine based cyclooxygenase-2 (COX-2) inhibitors. Utilisation of a biotransformation approach. Bioorg Med Chem Lett19:4509-14 (2009) [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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BDBM50029600 |
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n/a |
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Name | BDBM50029600 |
Synonyms: | 5-Bromo-2-(4-fluoro-phenyl)-3-(4-methanesulfonyl-phenyl)-thiophene | 5-bromo-2-(4-fluorophenyl)-3-(4-(methylsulfonyl)phenyl)thiophene | CHEMBL42485 | DUP-697 |
Type | Small organic molecule |
Emp. Form. | C17H12BrFO2S2 |
Mol. Mass. | 411.308 |
SMILES | CS(=O)(=O)c1ccc(cc1)-c1cc(Br)sc1-c1ccc(F)cc1 |
Structure |
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