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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Prostaglandin G/H synthase 2 | ||
| Ligand | BDBM50150207 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_159896 (CHEMBL766724) | ||
| IC50 | 1530±n/a nM | ||
| Citation |  Caturla, F; Jiménez, JM; Godessart, N; Amat, M; Cárdenas, A; Soca, L; Beleta, J; Ryder, H; Crespo, MI Synthesis and biological evaluation of 2-phenylpyran-4-ones: a new class of orally active cyclooxygenase-2 inhibitors. J Med Chem47:3874-86 (2004) [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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| BDBM50150207 | |||
| n/a | |||
| Name | BDBM50150207 | ||
| Synonyms: | 3-(2-Fluoro-phenyl)-2-(4-methanesulfonyl-phenyl)-6-methyl-pyran-4-one | CHEMBL126392 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C19H15FO4S | ||
| Mol. Mass. | 358.383 | ||
| SMILES | Cc1cc(=O)c(-c2ccccc2F)c(o1)-c1ccc(cc1)S(C)(=O)=O |(4.05,-1.57,;2.71,-.79,;2.71,.76,;1.37,1.53,;1.37,3.07,;.05,.76,;-1.3,1.53,;-2.62,.76,;-3.96,1.53,;-3.96,3.07,;-2.62,3.83,;-1.3,3.07,;.03,3.84,;.05,-.79,;1.37,-1.56,;-1.3,-1.56,;-1.3,-3.1,;-2.62,-3.87,;-3.95,-3.1,;-3.95,-1.56,;-2.62,-.79,;-5.3,-3.89,;-6.61,-4.66,;-4.51,-5.22,;-6.08,-2.55,)| | ||
| Structure | 
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