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SMILES: CCOc1ccc(NC(=O)Cn2c(Nc3ccc(OCC)cc3)nc3n(C)c(=O)[nH]c(=O)c23)cc1

InChI Key: InChIKey=JCIOMDWHZWRRID-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50333665   
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 A


(Homo sapiens (Human))		BDBM50333665
PNG
(CHEMBL1643146 | N-(4-ethoxyphenyl)-2-(8-(4-ethoxyp...)
Show SMILES CCOc1ccc(NC(=O)Cn2c(Nc3ccc(OCC)cc3)nc3n(C)c(=O)[nH]c(=O)c23)cc1
Show InChI InChI=1S/C24H26N6O5/c1-4-34-17-10-6-15(7-11-17)25-19(31)14-30-20-21(29(3)24(33)28-22(20)32)27-23(30)26-16-8-12-18(13-9-16)35-5-2/h6-13H,4-5,14H2,1-3H3,(H,25,31)(H,26,27)(H,28,32,33)
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.87E+4n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged Aurora A kinase expressed in insect cells

Bioorg Med Chem 19: 907-16 (2011)


Article DOI: 10.1016/j.bmc.2010.11.064
BindingDB Entry DOI: 10.7270/Q2V40VGC
More data for this
Ligand-Target Pair