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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase B' and Ligand = 'BDBM50268010'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Aurora kinase B


(Homo sapiens (Human))
BDBM50268010
PNG
(CHEMBL4098896)
Show SMILES COc1n[nH]c2ncc(cc12)C#Cc1c(F)ccc(NS(=O)(=O)c2cccc(c2)C#N)c1F
Show InChI InChI=1S/C22H13F2N5O3S/c1-32-22-17-10-14(12-26-21(17)27-28-22)5-6-16-18(23)7-8-19(20(16)24)29-33(30,31)15-4-2-3-13(9-15)11-25/h2-4,7-10,12,29H,1H3,(H,26,27,28)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 64n/an/an/an/an/a



State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences, University of Macau , Macao, China.

Curated by ChEMBL


Assay Description
Binding affinity to partial length human AURKB expressed in HEK293 cells by active-site-dependent competition assay


J Med Chem 60: 5927-5932 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00572
BindingDB Entry DOI: 10.7270/Q29G5Q9V
More data for this
Ligand-Target Pair