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Compile Data Set for Download or QSAR

Found 1 hit of ic50 for monomerid = 50394798   
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))		BDBM50394798
PNG
(CHEMBL2163408)
Show SMILES COCCO[C@@H]1CCN(CC(=O)Nc2ccc(Sc3nc(Nc4cc(C)[nH]n4)c4cccn4n3)cc2)C1 |r|
Show InChI InChI=1S/C25H30N8O3S/c1-17-14-22(30-29-17)27-24-21-4-3-10-33(21)31-25(28-24)37-20-7-5-18(6-8-20)26-23(34)16-32-11-9-19(15-32)36-13-12-35-2/h3-8,10,14,19H,9,11-13,15-16H2,1-2H3,(H,26,34)(H2,27,28,29,30,31)/t19-/m1/s1
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n/an/a 6.20n/an/an/an/an/an/a



Ambit Biosciences Corporation

Curated by ChEMBL


Assay Description
Inhibition of Aurora kinase B-mediated histone H3 Ser10 phosphorylation in human HCT116 cells after 2 hrs by sandwich ELISA

J Med Chem 55: 3250-60 (2012)


Article DOI: 10.1021/jm201702g
BindingDB Entry DOI: 10.7270/Q2W0971F
More data for this
Ligand-Target Pair