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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Aurora kinase A | ||
| Ligand | BDBM50363993 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_804136 (CHEMBL1952701) | ||
| IC50 | 6000±n/a nM | ||
| Citation |  Shomin, CD; Restituyo, E; Cox, KJ; Ghosh, I Selection of cyclic-peptide inhibitors targeting Aurora kinase A: problems and solutions. Bioorg Med Chem19:6743-9 (2011) [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: |
| ||
| BDBM50363993 | |||
| n/a | |||
| Name | BDBM50363993 | ||
| Synonyms: | CHEMBL1950044 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C50H70N14O9S2 | ||
| Mol. Mass. | 1075.309 | ||
| SMILES | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C1=O)C(=O)NCC(N)=O |r,wU:61.69,8.8,4.3,19.20,30.35,47.49,wD:37.39,43.73,(42.83,.75,;42.77,-.8,;44.08,-1.62,;41.41,-1.51,;41.35,-3.05,;39.94,-3.69,;38.6,-2.92,;38.6,-1.37,;37.27,-3.68,;35.92,-2.92,;35.91,-1.38,;37.24,-.6,;37.22,.94,;35.87,1.7,;34.55,.9,;34.57,-.64,;37.31,-5.17,;35.95,-5.94,;34.63,-5.16,;35.93,-7.51,;34.59,-8.27,;33.26,-7.48,;31.92,-8.24,;30.59,-7.46,;30.6,-5.92,;29.27,-5.14,;31.95,-5.16,;37.29,-8.3,;37.29,-9.84,;38.62,-10.61,;35.94,-10.61,;34.48,-10.14,;33.58,-11.39,;34.48,-12.63,;35.95,-12.15,;37.28,-12.92,;38.62,-12.15,;37.28,-14.47,;35.94,-15.23,;38.61,-15.24,;39.95,-14.47,;41.29,-15.24,;42.63,-14.47,;43.96,-15.24,;44.72,-13.91,;43.94,-12.57,;42.4,-12.58,;44.7,-11.24,;46.24,-11.23,;47.03,-12.55,;46.42,-13.96,;47.57,-14.99,;48.89,-14.2,;50.35,-14.67,;51.49,-13.63,;51.15,-12.13,;49.69,-11.68,;48.57,-12.7,;43.92,-9.9,;43.48,-7.49,;41.98,-7.47,;43.77,-6.03,;44.86,-5.16,;44.35,-3.84,;42.95,-3.93,;42.59,-5.27,;42.6,-3.74,;43.92,-2.95,;44.73,-16.58,;46.27,-16.58,;43.96,-17.92,;44.73,-19.26,;43.97,-20.59,;44.73,-21.93,;42.42,-20.59,)| | ||
| Structure | 
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