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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 = 'BDBM50335189'   
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))		BDBM50335189
PNG
(6-Methyl-3-(1H-pyrazol-4-yl)-N-[3-[(3,3,4,4-tetraf...)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CC(F)(F)C(F)(F)C3)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C18H16F4N8S/c1-10-6-30-13(11-3-24-25-4-11)5-23-16(30)15(26-10)27-14-2-12(28-31-14)7-29-8-17(19,20)18(21,22)9-29/h2-6H,7-9H2,1H3,(H,24,25)(H,26,27)
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Similars
Article
PubMed
n/an/a 50n/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