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Target
Aurora kinase B
Ligand
BDBM50438330
Substrate
n/a
Meas. Tech.
ChEMBL_973539 (CHEMBL2410823)
IC50
1700±n/a nM
Citation
 Hornberger, KR; Chen, X; Crew, AP; Kleinberg, A; Ma, L; Mulvihill, MJ; Wang, J; Wilde, VL; Albertella, M; Bittner, M; Cooke, A; Kadhim, S; Kahler, J; Maresca, P; May, E; Meyn, P; Romashko, D; Tokar, B; Turton, R Discovery of 7-aminofuro[2,3-c]pyridine inhibitors of TAK1: optimization of kinase selectivity and pharmacokinetics. Bioorg Med Chem Lett 23:4511-6 (2013) [PubMed]  Article 
Target
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:
MAQKENSYPWPYGRQTAPSGLSTLPQRVLRKEPVTPSALVLMSRSNVQPTAAPGQKVMENSSGTPDILTRHFTIDDFEIGRPLGKGKFGNVYLAREKKSHFIVALKVLFKSQIEKEGVEHQLRREIEIQAHLHHPNILRLYNYFYDRRRIYLILEYAPRGELYKELQKSCTFDEQRTATIMEELADALMYCHGKKVIHRDIKPENLLLGLKGELKIADFGWSVHAPSLRRKTMCGTLDYLPPEMIEGRMHNEKVDLWCIGVLCYELLVGNPPFESASHNETYRRIVKVDLKFPASVPMGAQDLISKLLRHNPSERLPLAQVSAHPWVRANSRRVLPPSALQSVA
  
Inhibitor
Name:
BDBM50438330
Synonyms:
CHEMBL2408614
Type:
Small organic molecule
Emp. Form.:
C25H21N7O2S2
Mol. Mass.:
515.61
SMILES:
Nc1ncc(-c2cnn(c2)[C@H]2CC[C@H](O)CC2)c2c(-c3cncs3)c(oc12)-c1cccc2nnsc12 |r,wU:13.14,wD:10.10,(9.62,-24.57,;11.08,-24.1,;12.22,-25.13,;13.69,-24.65,;14,-23.16,;15.47,-22.68,;15.95,-21.22,;17.49,-21.22,;17.96,-22.68,;16.72,-23.59,;19.43,-23.16,;19.74,-24.67,;21.2,-25.15,;22.35,-24.12,;23.81,-24.61,;22.03,-22.62,;20.56,-22.13,;12.87,-22.13,;12.87,-20.59,;14.12,-19.69,;14.12,-18.15,;15.58,-17.67,;16.49,-18.92,;15.58,-20.16,;11.4,-20.12,;10.5,-21.37,;11.41,-22.6,;10.94,-18.65,;11.98,-17.52,;11.51,-16.05,;10,-15.72,;8.96,-16.86,;7.42,-16.86,;6.95,-18.33,;8.19,-19.23,;9.44,-18.33,)|
Structure:
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