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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Aurora kinase A | ||
| Ligand | BDBM50096229 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1505871 (CHEMBL3595328) | ||
| Ki | 3500±n/a nM | ||
| Citation |  Rudolph, J; Aliagas, I; Crawford, JJ; Mathieu, S; Lee, W; Chao, Q; Dong, P; Rouge, L; Wang, W; Heise, C; Murray, LJ; La, H; Liu, Y; Manning, G; Diederich, F; Hoeflich, KP Leveraging the Pre-DFG Residue Thr-406 To Obtain High Kinase Selectivity in an Aminopyrazole-Type PAK1 Inhibitor Series. ACS Med Chem Lett6:711-5 (2015) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Aurora kinase A | |||
| Name: | Aurora kinase A | ||
| Synonyms: | AIK | AIRK1 | ARK-1 | ARK1 | AURA | AURKA | AURKA_HUMAN | AYK1 | Aurora 2 | Aurora kinase A (AURA) | Aurora kinase A (AURKA) | Aurora kinase A (Aurora A) | Aurora kinase A (Aurora-2) | Aurora-related kinase 1 | Aurora/IPL1-related kinase 1 | BTAK | Breast tumor-amplified kinase | Breast-tumor-amplified kinase | IAK1 | STK15 | STK15 GN | STK6 | Serine/threonine kinase 15 | Serine/threonine-protein kinase 15 | Serine/threonine-protein kinase 6 | Serine/threonine-protein kinase aurora A | Serine/threonine-protein kinase aurora-A | Synonyms=AIK | aurora-2 | hARK1 | ||
| Type: | Serine/threonine-protein kinase | ||
| Mol. Mass.: | 45830.98 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | O14965 | ||
| Residue: | 403 | ||
| Sequence: |
| ||
| BDBM50096229 | |||
| n/a | |||
| Name | BDBM50096229 | ||
| Synonyms: | CHEMBL3594177 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C20H30N8O | ||
| Mol. Mass. | 398.5052 | ||
| SMILES | CN(C[C@H]1CC[C@H](N)CC1)c1nccc(Nc2cc([nH]n2)[C@H]2CCN(C)C2=O)n1 |r,wU:3.2,21.22,wD:6.6,(-2.67,2.77,;-2.67,1.54,;-4,.77,;-5.34,1.53,;-6.67,.76,;-8.01,1.53,;-8.01,3.07,;-9.07,3.69,;-6.67,3.84,;-5.34,3.07,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;0,-3.08,;1.34,-3.85,;1.49,-5.37,;2.99,-5.68,;3.76,-4.35,;2.72,-3.21,;3.62,-7.09,;5.14,-7.26,;5.43,-8.77,;4.08,-9.51,;3.92,-10.74,;2.96,-8.46,;1.74,-8.68,;-1.33,-.77,)| | ||
| Structure | 
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