| Reaction Details |
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 | Report a problem with these data |
| Target | Prostaglandin E synthase |
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| Ligand | BDBM50512716 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1849815 (CHEMBL4350356) |
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| IC50 | 584±n/a nM |
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| Citation |  Koppitz, M; Bräuer, N; Ter Laak, A; Irlbacher, H; Rotgeri, A; Coelho, AM; Walter, D; Steinmeyer, A; Zollner, TM; Peters, M; Nagel, J Discovery and optimization of pyridyl-cycloalkyl-carboxylic acids as inhibitors of microsomal prostaglandin E synthase-1 for the treatment of endometriosis. Bioorg Med Chem Lett29:2700-2705 (2019) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Prostaglandin E synthase |
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| Name: | Prostaglandin E synthase |
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| Synonyms: | 5.3.99.3 | Microsomal prostaglandin E synthase 1 | PTGES_MOUSE | Pges | Prostaglandin E synthase | Ptges | mPGES-1 |
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| Type: | PROTEIN |
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| Mol. Mass.: | 17293.88 |
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| Organism: | Mus musculus |
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| Description: | ChEMBL_104562 |
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| Residue: | 153 |
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| Sequence: | MPSPGLVMESGQVLPAFLLCSTLLVIKMYAVAVITGQMRLRKKAFANPEDALKRGGLQYY
RSDPDVERCLRAHRNDMETIYPFLFLGFVYSFLGPNPLIAWIHFLVVLTGRVVHTVAYLG
KLNPRLRSGAYVLAQFSCFSMALQILWEVAHHL
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| BDBM50512716 |
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| n/a |
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| Name | BDBM50512716 |
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| Synonyms: | CHEMBL4439662 |
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| Type | Small organic molecule |
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| Emp. Form. | C29H31ClN2O3 |
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| Mol. Mass. | 491.021 |
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| SMILES | C[C@@H](CC(O)=O)c1cccc(NC(=O)[C@H](C2CCCC2)c2ccc(cc2)-c2cncc(Cl)c2)c1C |r| |
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| Structure | 
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