Reaction Details | |||
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Target | Prostaglandin E synthase | ||
Ligand | BDBM50425319 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_933843 (CHEMBL2321397) | ||
IC50 | >19100±n/a nM | ||
Citation | Kablaoui, N; Patel, S; Shao, J; Demian, D; Hoffmaster, K; Berlioz, F; Vazquez, ML; Moore, WM; Nugent, RA Novel benzoxazole inhibitors of mPGES-1. Bioorg Med Chem Lett23:907-11 (2013) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Prostaglandin E synthase | |||
Name: | Prostaglandin E synthase | ||
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) | ||
Type: | Protein | ||
Mol. Mass.: | 17112.22 | ||
Organism: | Homo sapiens (Human) | ||
Description: | n/a | ||
Residue: | 152 | ||
Sequence: |
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BDBM50425319 | |||
n/a | |||
Name | BDBM50425319 | ||
Synonyms: | CHEMBL2315860 | ||
Type | Small organic molecule | ||
Emp. Form. | C20H26ClN3O3 | ||
Mol. Mass. | 391.892 | ||
SMILES | OC[C@H]1CC[C@@H](CC1)NC(=O)C1CCN(CC1)c1nc2cc(Cl)ccc2o1 |r,wU:5.8,wD:2.1,(41.91,-13.61,;41.14,-12.28,;39.6,-12.28,;38.83,-10.94,;37.29,-10.94,;36.53,-12.27,;37.29,-13.61,;38.83,-13.61,;34.99,-12.28,;34.22,-10.94,;34.99,-9.61,;32.68,-10.95,;31.91,-12.28,;30.38,-12.29,;29.61,-10.96,;30.36,-9.62,;31.91,-9.62,;28.07,-10.97,;27.17,-12.22,;25.7,-11.75,;24.36,-12.53,;23.02,-11.76,;21.69,-12.53,;23.03,-10.22,;24.35,-9.45,;25.69,-10.21,;27.15,-9.72,)| | ||
Structure |