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BDBM50335177 2-[(2,2-Difluoroethyl)[[5-[[6-methyl-3-(1Hpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-isothiazolyl]methyl]-amino]-2-methyl-1-propanol Hydrochloride::CHEMBL1650534

SMILES: Cc1cn2c(cnc2c(Nc2cc(CN(CC(F)F)C(C)(C)CO)ns2)n1)-c1cn[nH]c1

InChI Key: InChIKey=FHRXTSQACPDPRQ-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50335177   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Aurora kinase B


(Homo sapiens (Human))		BDBM50335177
PNG
(2-[(2,2-Difluoroethyl)[[5-[[6-methyl-3-(1Hpyrazol-...)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN(CC(F)F)C(C)(C)CO)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C20H24F2N8OS/c1-12-8-30-15(13-5-24-25-6-13)7-23-19(30)18(26-12)27-17-4-14(28-32-17)9-29(10-16(21)22)20(2,3)11-31/h4-8,16,31H,9-11H2,1-3H3,(H,24,25)(H,26,27)
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Similars
Article
PubMed
n/an/a 306n/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