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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Aurora kinase A | ||
| Ligand | BDBM50175305 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1620440 (CHEMBL3862723) | ||
| IC50 | 0.064000±n/a nM | ||
| Citation |  Kilchmann, F; Marcaida, MJ; Kotak, S; Schick, T; Boss, SD; Awale, M; Gönczy, P; Reymond, JL Discovery of a Selective Aurora A Kinase Inhibitor by Virtual Screening. J Med Chem59:7188-211 (2016) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Aurora kinase A | |||
| Name: | Aurora kinase A | ||
| Synonyms: | AIK | AIRK1 | 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 | STK6 | Serine/threonine kinase 15 | Serine/threonine-protein kinase 6 | Serine/threonine-protein kinase aurora A | aurora-2 | hARK1 | ||
| Type: | Serine/threonine-protein kinase | ||
| Mol. Mass.: | 45830.98 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | O14965 | ||
| Residue: | 403 | ||
| Sequence: |
| ||
| BDBM50175305 | |||
| n/a | |||
| Name | BDBM50175305 | ||
| Synonyms: | CHEMBL3600873 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C22H21ClFN3O3S | ||
| Mol. Mass. | 461.937 | ||
| SMILES | OC(=O)[C@@]1(Cc2cccc(Nc3nccs3)n2)CC[C@@H](CC1)Oc1cccc(Cl)c1F |r,wU:3.2,wD:19.24,(2.4,1.65,;1.33,2.27,;1.34,3.5,;,1.54,;-1.33,2.27,;-2.67,1.5,;-2.64,-.04,;-3.96,-.84,;-5.31,-.09,;-5.34,1.45,;-6.69,2.19,;-8,1.39,;-8.11,-.13,;-9.61,-.48,;-10.41,.83,;-9.4,2,;-4.02,2.24,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;0,-3.08,;1.34,-3.85,;2.67,-3.07,;4.01,-3.84,;4.01,-5.38,;2.68,-6.15,;2.68,-7.39,;1.34,-5.39,;.28,-6.01,)| | ||
| Structure | 
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