Reaction Details Report a problem with these data
Target
Aurora kinase B
Ligand
BDBM648237
Substrate
n/a
Meas. Tech.
Enzyme Assay
IC50
>10000±n/a nM
Citation
 Finlay, MR; Goldberg, FW; Howard, MR; Ting, AK Purinone compounds and their use in treating cancer US Patent  US11884671 Publication Date 1/30/2024 
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:
BDBM648237
Synonyms:
US11884671, Example 14
Type:
Small organic molecule
Emp. Form.:
C23H26N6O2
Mol. Mass.:
418.4915
SMILES:
Cc1cc2ncccc2cc1Nc1ncc2n(C)c(=O)n([C@H]3CC[C@@](C)(O)CC3)c2n1 |r,wU:24.26,wD:21.22,24.27,(3.32,3.93,;3.32,5.47,;4.65,6.24,;4.65,7.78,;5.98,8.55,;5.98,10.09,;4.65,10.86,;3.32,10.09,;3.32,8.55,;1.98,7.78,;1.98,6.24,;.65,5.47,;-.68,6.24,;-2.02,5.47,;-3.35,6.24,;-3.35,7.78,;-4.5,8.81,;-5.98,8.41,;-3.87,10.22,;-4.64,11.55,;-2.34,10.06,;-1.25,11.14,;.24,10.75,;1.33,11.83,;.93,13.32,;.93,14.86,;2.47,13.32,;-.56,13.72,;-1.65,12.63,;-2.02,8.55,;-.68,7.78,)|
Structure:
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