Reaction Details | |||
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Target | Aurora kinase A | ||
Ligand | BDBM50175305 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_1628972 (CHEMBL3871598) | ||
IC50 | 0.046000±n/a nM | ||
Citation | Chang, CF; Lin, WH; Ke, YY; Lin, YS; Wang, WC; Chen, CH; Kuo, PC; Hsu, JTA; Uang, BJ; Hsieh, HP Discovery of novel inhibitors of Aurora kinases with indazole scaffold: In silico fragment-based and knowledge-based drug design. Eur J Med Chem124:186-199 (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: |
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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 |