Ki Summary

Reaction Details

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Target

Aurora kinase B

Ligand

BDBM50442149

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_993110 (CHEMBL2446685)

0.501000±n/a nM

Citation

Alder, CM; Ambler, M; Campbell, AJ; Champigny, AC; Deakin, AM; Harling, JD; Harris, CA; Longstaff, T; Lynn, S; Maxwell, AC; Mooney, CJ; Scullion, C; Singh, OM; Smith, IE; Somers, DO; Tame, CJ; Wayne, G; Wilson, C; Woolven, JM Identification of a Novel and Selective Series of Itk Inhibitors via a Template-Hopping Strategy. ACS Med Chem Lett4:948-52 (2013) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Aurora kinase B

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:

MAQKENSYPWPYGRQTAPSGLSTLPQRVLRKEPVTPSALVLMSRSNVQPTAAPGQKVMEN
SSGTPDILTRHFTIDDFEIGRPLGKGKFGNVYLAREKKSHFIVALKVLFKSQIEKEGVEH
QLRREIEIQAHLHHPNILRLYNYFYDRRRIYLILEYAPRGELYKELQKSCTFDEQRTATI
MEELADALMYCHGKKVIHRDIKPENLLLGLKGELKIADFGWSVHAPSLRRKTMCGTLDYL
PPEMIEGRMHNEKVDLWCIGVLCYELLVGNPPFESASHNETYRRIVKVDLKFPASVPMGA
QDLISKLLRHNPSERLPLAQVSAHPWVRANSRRVLPPSALQSVA

BDBM50442149

n/a

Name

BDBM50442149

Synonyms:

CHEMBL2441267

Type

Small organic molecule

Emp. Form.

C21H25N5OS

Mol. Mass.

395.521

SMILES

Cc1cnc(Nc2cc(Cc3ccccc3)nc(N[C@H]3CC[C@H](O)CC3)n2)s1 |r,wU:22.23,wD:19.19,(57.53,-16.46,;56.01,-16.27,;55.28,-14.93,;53.76,-15.22,;53.57,-16.74,;52.23,-17.49,;52.2,-19.03,;50.85,-19.77,;50.82,-21.31,;49.48,-22.06,;48.11,-21.34,;46.81,-22.18,;45.44,-21.47,;45.37,-19.93,;46.67,-19.1,;48.04,-19.8,;52.14,-22.11,;53.49,-21.36,;54.81,-22.16,;54.78,-23.7,;53.43,-24.44,;53.4,-25.98,;54.73,-26.78,;54.7,-28.32,;56.07,-26.03,;56.1,-24.49,;53.52,-19.82,;54.97,-17.41,)|

Structure