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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Aurora kinase B | ||
| Ligand | BDBM50175305 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1620461 (CHEMBL3862744) | ||
| IC50 | >10.0±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 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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| 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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