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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 = 'BDBM50004219'   
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))		BDBM50004219
PNG
(CHEMBL3237184)
Show SMILES COc1cccc(Nc2nc(Nc3cc(C)[nH]n3)cc(n2)N2CCN(C)CC2)c1
Show InChI InChI=1S/C20H26N8O/c1-14-11-18(26-25-14)22-17-13-19(28-9-7-27(2)8-10-28)24-20(23-17)21-15-5-4-6-16(12-15)29-3/h4-6,11-13H,7-10H2,1-3H3,(H3,21,22,23,24,25,26)
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Similars
Article
PubMed
n/an/a 22n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after...

Eur J Med Chem 78: 65-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.027
BindingDB Entry DOI: 10.7270/Q2Z60QKP
More data for this
Ligand-Target Pair