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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50335328'   
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 A


(Homo sapiens (Human))		BDBM50335328
PNG
(2-[2-(3-Methoxyphenyl)-2-oxoethyl]-4-(5-methyl-1H-...)
Show SMILES COc1cccc(c1)C(=O)Cn1nc(Nc2cc(C)n[nH]2)c2ccccc2c1=O
Show InChI InChI=1S/C21H19N5O3/c1-13-10-19(24-23-13)22-20-16-8-3-4-9-17(16)21(28)26(25-20)12-18(27)14-6-5-7-15(11-14)29-2/h3-11H,12H2,1-2H3,(H2,22,23,24,25)
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Article
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n/an/a 100n/an/an/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Aurora A by ELISA

J Med Chem 54: 312-9 (2011)


Article DOI: 10.1021/jm101346r
BindingDB Entry DOI: 10.7270/Q29P32MB
More data for this
Ligand-Target Pair