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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Prostaglandin G/H synthase 2 | ||
| Ligand | BDBM50425318 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_933841 (CHEMBL2321395) | ||
| IC50 | 11100±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 G/H synthase 2 | |||
| Name: | Prostaglandin G/H synthase 2 | ||
| Synonyms: | COX2 | Cyclooxygenase | Cyclooxygenase 2 (COX-2) | Cyclooxygenase-2 | Cyclooxygenase-2 (COX-2 AA) | Cyclooxygenase-2 (COX-2 AEA) | Cyclooxygenase-2 (COX-2) | PGH synthase 2 | PGH2_HUMAN | PGHS-2 | PHS II | PTGS2 | Prostaglandin E synthase/G/H synthase 2 | Prostaglandin H2 synthase 2 | Prostaglandin-endoperoxide synthase 2 | ||
| Type: | Enzyme | ||
| Mol. Mass.: | 69003.89 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | Recombinant Cox-2 provided by Cayman (Cayman Chemical Co.,Ann Arbor, MI). | ||
| Residue: | 604 | ||
| Sequence: |
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| BDBM50425318 | |||
| n/a | |||
| Name | BDBM50425318 | ||
| Synonyms: | CHEMBL2315861 | ||
| 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,wD:5.8,2.1,(21.18,-14.42,;20.41,-13.09,;18.87,-13.08,;18.1,-11.75,;16.56,-11.75,;15.8,-13.08,;16.57,-14.42,;18.1,-14.42,;14.27,-13.08,;13.49,-11.75,;14.26,-10.42,;11.95,-11.75,;11.18,-13.09,;9.65,-13.09,;8.88,-11.77,;9.63,-10.43,;11.18,-10.42,;7.34,-11.77,;6.44,-13.03,;4.97,-12.56,;3.63,-13.34,;2.3,-12.57,;.96,-13.34,;2.3,-11.02,;3.63,-10.25,;4.96,-11.02,;6.43,-10.53,)| | ||
| Structure | 
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