| Reaction Details |
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 | Report a problem with these data |
| Target | Prostaglandin E synthase |
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| Ligand | BDBM50512715 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1849809 (CHEMBL4350350) |
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| IC50 | 10.0±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: | MGST1L1 | MPGES1 | PGES | PIG12 | PTGES | PTGES_HUMAN | Prostaglandin E synthase (PGES-1) | Prostaglandin E synthase 1 (mPGES-1) | Prostaglandin E synthase-1 (PGES-1) | Prostaglandin E synthase/G/H synthase 2 | Prostaglandin E2 synthase-1 ( mPGES-1) |
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| Type: | Protein |
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| Mol. Mass.: | 17112.22 |
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| Organism: | Homo sapiens (Human) |
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| Description: | n/a |
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| Residue: | 152 |
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| Sequence: | MPAHSLVMSSPALPAFLLCSTLLVIKMYVVAIITGQVRLRKKAFANPEDALRHGGPQYCR
SDPDVERCLRAHRNDMETIYPFLFLGFVYSFLGPNPFVAWMHFLVFLVGRVAHTVAYLGK
LRAPIRSVTYTLAQLPCASMALQILWEAARHL
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| BDBM50512715 |
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| n/a |
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| Name | BDBM50512715 |
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| Synonyms: | CHEMBL4443717 |
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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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