Search and Browse
Download
Enter Data
| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Polyunsaturated fatty acid 5-lipoxygenase | ||
| Ligand | BDBM50444535 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1281541 (CHEMBL3102107) | ||
| IC50 | 27000±n/a nM | ||
| Citation |  Achenbach, J; Klingler, FM; Blöcher, R; Moser, D; Häfner, AK; Rödl, CB; Kretschmer, S; Krüger, B; Löhr, F; Stark, H; Hofmann, B; Steinhilber, D; Proschak, E Exploring the chemical space of multitarget ligands using aligned self-organizing maps. ACS Med Chem Lett4:1169-72 (2013) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Polyunsaturated fatty acid 5-lipoxygenase | |||
| Name: | Polyunsaturated fatty acid 5-lipoxygenase | ||
| Synonyms: | 5-LO | 5-Lipo-oxygenase (5-LOX) | 5-Lipoxygenase (5-LO) | 5-Lipoxygenase (LOX) | 5-Lipoygenase | 5-lipoxygenase/FLAP | ALOX5 | Arachidonate 5-lipoxygenase | LOG5 | LOX5_HUMAN | ||
| Type: | Enzyme | ||
| Mol. Mass.: | 77972.74 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | Recombinant protein was purified from E. coli lysate. After ammonium sulfate precipitation and subsequent steps, the supernatant (S100) was used for 5-LO activity assay. | ||
| Residue: | 674 | ||
| Sequence: |
| ||
| BDBM50444535 | |||
| n/a | |||
| Name | BDBM50444535 | ||
| Synonyms: | CHEMBL3099592 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C14H16N2O2 | ||
| Mol. Mass. | 244.289 | ||
| SMILES | Oc1ccc(CC2=C(N=O)C3CCN2CC3)cc1 |c:6,(60.33,-4.83,;58.78,-4.86,;58.04,-6.21,;56.5,-6.24,;55.71,-4.92,;54.16,-4.95,;53.37,-3.63,;51.83,-3.65,;51.08,-5,;51.88,-6.32,;51.04,-2.34,;51.78,-.99,;53.32,-.95,;54.11,-2.28,;53.18,-1.54,;51.77,-1.54,;56.44,-3.57,;57.98,-3.54,)| | ||
| Structure | 
| ||