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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Aurora kinase B | ||
| Ligand | BDBM50442156 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_993110 (CHEMBL2446685) | ||
| Ki | 631±n/a nM | ||
| Citation |  Alder, CM; Ambler, M; Campbell, AJ; Champigny, AC; Deakin, AM; Harling, JD; Harris, CA; Longstaff, T; Lynn, S; Maxwell, AC; Mooney, CJ; Scullion, C; Singh, OM; Smith, IE; Somers, DO; Tame, CJ; Wayne, G; Wilson, C; Woolven, JM Identification of a Novel and Selective Series of Itk Inhibitors via a Template-Hopping Strategy. ACS Med Chem Lett4:948-52 (2013) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Aurora kinase B | |||
| Name: | Aurora kinase B | ||
| Synonyms: | AIK2 | AIM-1 | AIM1 | AIRK2 | ARK2 | AURKB | AURKB_HUMAN | Aurora B kinase (aurB) | Aurora B-INCENP | Aurora kinase 2 | Aurora kinase B (AURKB) | Aurora-related kinase 2 | STK-1 | STK1 | STK12 | STK5 | Serine/threonine-protein kinase aurora B | ||
| Type: | Protein | ||
| Mol. Mass.: | 39327.72 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | Q96GD4 | ||
| Residue: | 344 | ||
| Sequence: |
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| BDBM50442156 | |||
| n/a | |||
| Name | BDBM50442156 | ||
| Synonyms: | CHEMBL2441280 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C24H23F3N6O | ||
| Mol. Mass. | 468.4742 | ||
| SMILES | O[C@H]1CC[C@@H](CC1)Nc1nc(Nc2n[nH]c3ccccc23)cc(n1)C(F)(F)c1ccc(F)cc1 |r,wU:1.0,wD:4.7,(44.56,-17.27,;44.59,-15.73,;43.27,-14.93,;43.3,-13.39,;44.65,-12.65,;45.96,-13.44,;45.94,-14.98,;44.68,-11.11,;43.36,-10.32,;43.39,-8.78,;42.06,-7.98,;42.09,-6.44,;43.4,-5.62,;44.83,-6.2,;45.82,-5.02,;45.01,-3.71,;45.43,-2.24,;44.37,-1.13,;42.87,-1.5,;42.44,-2.98,;43.51,-4.09,;40.71,-8.73,;40.69,-10.27,;42.01,-11.06,;39.35,-11.01,;38.15,-11.99,;40.32,-12.19,;37.98,-10.3,;36.68,-11.13,;35.31,-10.42,;35.24,-8.89,;33.87,-8.18,;36.54,-8.06,;37.9,-8.76,)| | ||
| Structure | 
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