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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 = 'BDBM50335180'   
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))		BDBM50335180
PNG
(CHEMBL1650537 | N-[3-[(4-Fluoro-1-piperidinyl)meth...)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCC(F)CC3)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C19H21FN8S/c1-12-10-28-16(13-7-22-23-8-13)9-21-19(28)18(24-12)25-17-6-15(26-29-17)11-27-4-2-14(20)3-5-27/h6-10,14H,2-5,11H2,1H3,(H,22,23)(H,24,25)
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Article
PubMed
n/an/a 86n/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