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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Prostaglandin G/H synthase 1 | ||
| Ligand | BDBM50020589 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1361584 (CHEMBL3295151) | ||
| IC50 | 13±n/a nM | ||
| Citation |  Koeberle, A; Muņoz, E; Appendino, GB; Minassi, A; Pace, S; Rossi, A; Weinigel, C; Barz, D; Sautebin, L; Caprioglio, D; Collado, JA; Werz, O SAR studies on curcumin's pro-inflammatory targets: discovery of prenylated pyrazolocurcuminoids as potent and selective novel inhibitors of 5-lipoxygenase. J Med Chem57:5638-48 (2014) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Prostaglandin G/H synthase 1 | |||
| Name: | Prostaglandin G/H synthase 1 | ||
| Synonyms: | COX-1 | COX1 | Cyclooxygenase | Cyclooxygenase-1 | Cyclooxygenase-1 (COX-1) | PGH1_HUMAN | PTGS1 | Prostaglandin G/H synthase (cyclooxygenase) | ||
| Type: | Enzyme | ||
| Mol. Mass.: | 68692.62 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | P23219 | ||
| Residue: | 599 | ||
| Sequence: |
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| BDBM50020589 | |||
| n/a | |||
| Name | BDBM50020589 | ||
| Synonyms: | CHEMBL3290441 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C31H36N2O4 | ||
| Mol. Mass. | 500.6285 | ||
| SMILES | COc1cc(\C=C\c2cc(\C=C\c3cc(CC=C(C)C)c(O)c(OC)c3)[nH]n2)cc(CC=C(C)C)c1O |(11.47,-47.18,;10.14,-46.41,;10.14,-44.87,;11.48,-44.1,;11.47,-42.55,;12.8,-41.78,;14.14,-42.54,;15.47,-41.77,;16.81,-42.53,;18.14,-41.76,;19.48,-42.52,;20.81,-41.75,;22.14,-42.51,;23.46,-41.73,;24.8,-42.49,;26.13,-41.71,;27.47,-42.47,;28.8,-41.69,;30.13,-42.45,;28.78,-40.15,;24.81,-44.04,;26.15,-44.8,;23.48,-44.81,;23.48,-46.35,;22.15,-47.13,;22.14,-44.05,;18.13,-40.22,;15.47,-40.23,;10.14,-41.79,;8.81,-42.56,;7.48,-41.79,;6.14,-42.56,;4.81,-41.79,;3.47,-42.56,;4.81,-40.25,;8.81,-44.1,;7.47,-44.9,)| | ||
| Structure | 
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