Reaction Details |
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Target | Prostaglandin G/H synthase 2 |
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Ligand | BDBM50166276 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_488807 (CHEMBL985687) |
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IC50 | 480±n/a nM |
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Citation | Anzini, M; Rovini, M; Cappelli, A; Vomero, S; Manetti, F; Botta, M; Sautebin, L; Rossi, A; Pergola, C; Ghelardini, C; Norcini, M; Giordani, A; Makovec, F; Anzellotti, P; Patrignani, P; Biava, M Synthesis, biological evaluation, and enzyme docking simulations of 1,5-diarylpyrrole-3-alkoxyethyl ethers as selective cyclooxygenase-2 inhibitors endowed with anti-inflammatory and antinociceptive activity. J Med Chem51:4476-81 (2008) [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: | Cox-2 | Cox2 | Cyclooxygenase-2 | Cyclooxygenase-2 (COX-2) | Glucocorticoid-regulated inflammatory cyclooxygenase | Gripghs | Macrophage activation-associated marker protein P71/73 | PES-2 | PGH synthase 2 | PGH2_MOUSE | PGHS-2 | PHS II | Pghs-b | Prostaglandin G/H synthase (cyclooxygenase) | Prostaglandin H2 synthase 2 | Prostaglandin-endoperoxide synthase 2 | Ptgs2 | TIS10 protein | Tis10 |
Type: | Protein |
Mol. Mass.: | 69020.39 |
Organism: | Mus musculus (Mouse) |
Description: | Q05769 |
Residue: | 604 |
Sequence: | MLFRAVLLCAALGLSQAANPCCSNPCQNRGECMSTGFDQYKCDCTRTGFYGENCTTPEFL
TRIKLLLKPTPNTVHYILTHFKGVWNIVNNIPFLRSLIMKYVLTSRSYLIDSPPTYNVHY
GYKSWEAFSNLSYYTRALPPVADDCPTPMGVKGNKELPDSKEVLEKVLLRREFIPDPQGS
NMMFAFFAQHFTHQFFKTDHKRGPGFTRGLGHGVDLNHIYGETLDRQHKLRLFKDGKLKY
QVIGGEVYPPTVKDTQVEMIYPPHIPENLQFAVGQEVFGLVPGLMMYATIWLREHNRVCD
ILKQEHPEWGDEQLFQTSRLILIGETIKIVIEDYVQHLSGYHFKLKFDPELLFNQQFQYQ
NRIASEFNTLYHWHPLLPDTFNIEDQEYSFKQFLYNNSILLEHGLTQFVESFTRQIAGRV
AGGRNVPIAVQAVAKASIDQSREMKYQSLNEYRKRFSLKPYTSFEELTGEKEMAAELKAL
YSDIDVMELYPALLVEKPRPDAIFGETMVELGAPFSLKGLMGNPICSPQYWKPSTFGGEV
GFKIINTASIQSLICNNVKGCPFTSFNVQDPQPTKTATINASASHSRLDDINPTVLIKRR
STEL
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BDBM50166276 |
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n/a |
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Name | BDBM50166276 |
Synonyms: | CHEMBL363398 | [5-(4-Methanesulfonyl-phenyl)-2-methyl-1-p-tolyl-1H-pyrrol-3-yl]-acetic acid ethyl ester | ethyl 2-(2-methyl-5-(4-(methylsulfonyl)phenyl)-1-p-tolyl-1H-pyrrol-3-yl)acetate |
Type | Small organic molecule |
Emp. Form. | C23H25NO4S |
Mol. Mass. | 411.514 |
SMILES | CCOC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(C)cc1 |
Structure |
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