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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 = 'BDBM50335184'   
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))		BDBM50335184
PNG
(6-Methyl-3-(1H-pyrazol-4-yl)-N-[3-[[4-(trifluorome...)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCC(CC3)C(F)(F)F)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C20H21F3N8S/c1-12-10-31-16(13-7-25-26-8-13)9-24-19(31)18(27-12)28-17-6-15(29-32-17)11-30-4-2-14(3-5-30)20(21,22)23/h6-10,14H,2-5,11H2,1H3,(H,25,26)(H,27,28)
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Similars
Article
PubMed
n/an/a 218n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Aurora B in human HCT116 cells assessed as inhibition of histone H3 phosphorylation by immunofluorescence assay

J Med Chem 54: 201-10 (2011)


Article DOI: 10.1021/jm1010995
BindingDB Entry DOI: 10.7270/Q2VM4D76
More data for this
Ligand-Target Pair