Reaction Details |
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Target | Prostaglandin G/H synthase 1 |
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Ligand | BDBM50253352 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_511537 (CHEMBL980980) |
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IC50 | >100000±n/a nM |
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Citation | Biava, M; Porretta, GC; Poce, G; Supino, S; Manetti, F; Forli, S; Botta, M; Sautebin, L; Rossi, A; Pergola, C; Ghelardini, C; Norcini, M; Makovec, F; Giordani, A; Anzellotti, P; Cirilli, R; Ferretti, R; Gallinella, B; La Torre, F; Anzini, M; Patrignani, P Synthesis, in vitro, and in vivo biological evaluation and molecular docking simulations of chiral alcohol and ether derivatives of the 1,5-diarylpyrrole scaffold as novel anti-inflammatory and analgesic agents. Bioorg Med Chem16:8072-81 (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 1 |
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Name: | Prostaglandin G/H synthase 1 |
Synonyms: | Cox-1 | Cox1 | Cyclooxygenase-1 | PGH synthase 1 | PGH1_MOUSE | PGHS-1 | PHS 1 | Prostaglandin G/H synthase (cyclooxygenase) | Prostaglandin H2 synthase 1 | Prostaglandin-endoperoxide synthase 1 | Ptgs1 |
Type: | PROTEIN |
Mol. Mass.: | 69044.61 |
Organism: | Mus musculus |
Description: | ChEMBL_10575 |
Residue: | 602 |
Sequence: | MSRRSLSLWFPLLLLLLLPPTPSVLLADPGVPSPVNPCCYYPCQNQGVCVRFGLDNYQCD
CTRTGYSGPNCTIPEIWTWLRNSLRPSPSFTHFLLTHGYWLWEFVNATFIREVLMRLVLT
VRSNLIPSPPTYNSAHDYISWESFSNVSYYTRILPSVPKDCPTPMGTKGKKQLPDVQLLA
QQLLLRREFIPAPQGTNILFAFFAQHFTHQFFKTSGKMGPGFTKALGHGVDLGHIYGDNL
ERQYHLRLFKDGKLKYQVLDGEVYPPSVEQASVLMRYPPGVPPERQMAVGQEVFGLLPGL
MLFSTIWLREHNRVCDLLKEEHPTWDDEQLFQTTRLILIGETIKIVIEEYVQHLSGYFLQ
LKFDPELLFRAQFQYRNRIAMEFNHLYHWHPLMPNSFQVGSQEYSYEQFLFNTSMLVDYG
VEALVDAFSRQRAGRIGGGRNFDYHVLHVAVDVIKESREMRLQPFNEYRKRFGLKPYTSF
QELTGEKEMAAELEELYGDIDALEFYPGLLLEKCQPNSIFGESMIEMGAPFSLKGLLGNP
ICSPEYWKPSTFGGDVGFNLVNTASLKKLVCLNTKTCPYVSFRVPDYPGDDGSVLVRRST
EL
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BDBM50253352 |
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n/a |
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Name | BDBM50253352 |
Synonyms: | (+/-)-Ethyl-[2-hydroxy-2-[2-methyl-5-(4-methylsulfonyl)-phenyl-1-phenyl-1H-pyrrol-3-yl]]acetate | CHEMBL523720 |
Type | Small organic molecule |
Emp. Form. | C22H23NO5S |
Mol. Mass. | 413.487 |
SMILES | CCOC(=O)C(O)c1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccccc1 |
Structure |
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