Reaction Details Report a problem with these data
Target
Aurora kinase B/Inner centromere protein
Ligand
BDBM116525
Substrate
n/a
Meas. Tech.
ChEMBL_2122113 (CHEMBL4831260)
IC50
9.0±n/a nM
Citation
 DeSelm, L; Huck, B; Lan, R; Neagu, C; Potnick, J; Xiao, Y; Chen, X; Jones, R; Richardson, TE; Heasley, BH; Haxell, T; Moore, J; Tian, H; Georgi, K; Rohdich, F; Sutton, A; Johnson, T; Mochalkin, I; Jackson, J; Lin, J; Crowley, L; Machl, A; Clark, A; Wilker, E; Sherer, B; Goutopoulos, A Identification of Clinical Candidate M2698, a Dual p70S6K and Akt Inhibitor, for Treatment of PAM Pathway-Altered Cancers. J Med Chem 64:14603-14619 (2021) [PubMed]  Article 
Target
Name:
Aurora kinase B/Inner centromere protein
Synonyms:
Aurora B/Incenp
Type:
Protein Complex
Mol. Mass.:
n/a
Description:
n/a
Components:
This complex has 2 components.
Component 1
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
  
Component 2
Name:
Inner centromere protein
Synonyms:
INCENP | INCE_HUMAN
Type:
Protein
Mol. Mass.:
105461.33
Organism:
Homo sapiens (Human)
Description:
Q9NQS7
Residue:
918
Sequence:
MGTTAPGPIHLLELCDQKLMEFLCNMDNKDLVWLEEIQEEAERMFTREFSKEPELMPKTPSQKNRRKKRRISYVQDENRDPIRRRLSRRKSRSSQLSSRRLRSKDSVEKLATVVGENGSVLRRVTRAAAAAAAATMALAAPSSPTPESPTMLTKKPEDNHTQCQLVPVVEIGISERQNAEQHVTQLMSTEPLPRTLSPTPASATAPTSQGIPTSDEESTPKKSKARILESITVSSLMATPQDPKGQGVGTGRSASKLRIAQVSPGPRDSPAFPDSPWRERVLAPILPDNFSTPTGSRTDSQSVRHSPIAPSSPSPQVLAQKYSLVAKQESVVRRASRRLAKKTAEEPAASGRIICHSYLERLLNVEVPQKVGSEQKEPPEEAEPVAAAEPEVPENNGNNSWPHNDTEIANSTPNPKPAASSPETPSAGQQEAKTDQADGPREPPQSARRKRSYKQAVSELDEEQHLEDEELQPPRSKTPSSPCPASKVVRPLRTFLHTVQRNQMLMTPTSAPRSVMKSFIKRNTPLRMDPKCSFVEKERQRLENLRRKEEAEQLRRQKVEEDKRRRLEEVKLKREERLRKVLQARERVEQMKEEKKKQIEQKFAQIDEKTEKAKEERLAEEKAKKKAAAKKMEEVEARRKQEEEARRLRWLQQEEEERRHQELLQKKKEEEQERLRKAAEAKRLAEQREQERREQERREQERREQERREQERREQERQLAEQERRREQERLQAERELQEREKALRLQKEQLQRELEEKKKKEEQQRLAERQLQEEQEKKAKEAAGASKALNVTVDVQSPACTSYQMTPQGHRAPPKINPDNYGMDLNSDDSTDDEAHPRKPIPTWARGTPLSQAIIHQYYHPPNLLELFGTILPLDLEDIFKKSKPRYHKRTSSAVWNSPPLQGARVPSSLAYSLKKH
  
Inhibitor
Name:
BDBM116525
Synonyms:
US8637532, 211
Type:
Small organic molecule
Emp. Form.:
C18H18FN5O
Mol. Mass.:
339.3668
SMILES:
CNCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(F)c1
Structure:
Search PDB for entries with ligand similarity: