Reaction Details Report a problem with these data
Target
Aurora kinase B
Ligand
BDBM24721
Substrate
Histone H3
Meas. Tech.
Enzyme Inhibition Assay
pH
7.5±n/a
Temperature
295.15±n/a K
IC50
5±n/a nM
Citation
Rawson, TE; Rüth, M; Blackwood, E; Burdick, D; Corson, L; Dotson, J; Drummond, J; Fields, C; Georges, GJ; Goller, B; Halladay, J; Hunsaker, T; Kleinheinz, T; Krell, HW; Li, J; Liang, J; Limberg, A; McNutt, A; Moffat, J; Phillips, G; Ran, Y; Safina, B; Ultsch, M; Walker, L; Wiesmann, C; Zhang, B; Zhou, A; Zhu, BY; Rüger, P; Cochran, AG A pentacyclic aurora kinase inhibitor (AKI-001) with high in vivo potency and oral bioavailability. J Med Chem 51:4465-75 (2008) [PubMed] Article
More Info.:
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:
BDBM24721
Synonyms:
5-ethyl-7,7,16-trimethyl-5,11,14,15-tetraazapentacyclo[10.8.0.0^{2,10}.0^{4,8}.0^{13,17}]icosa-1(12),2,4(8),9,13,16-hexaen-6-one | AKI-001 | JMC514465 Compound 32
Type:
Small organic molecule
Emp. Form.:
C21H24N4O
Mol. Mass.:
348.4415
SMILES:
CCN1C(=O)C(C)(C)c2cc3[nH]c4-c5n[nH]c(C)c5CCCc4c3cc12
Substrate
Name:
Histone H3 (aa 1-18)
Synonyms:
GST fusion of N-terminus of Histone H3 (aa 1-18) | H31_HUMAN | H3C1 | H3FA | H3FB | H3FC HIST1H3C | H3FD | H3FF | H3FH | H3FI | H3FJ | H3FK | H3FL | HIST1H3A | HIST1H3B | HIST1H3D | HIST1H3E | HIST1H3F | HIST1H3G | HIST1H3H | HIST1H3I | HIST1H3J | Histone H3
Type:
Peptide
Mol. Mass.:
1951.30
Organism:
Homo sapiens (Human)
Description:
P68431 (aa 1-18)
Residue:
18
Sequence:
MARTKQTARKSTGGKAPR