Reaction Details | |||
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Target | Prostaglandin G/H synthase 2 | ||
Ligand | BDBM50425319 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_933842 (CHEMBL2321396) | ||
IC50 | >10000±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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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 |