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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 = 'BDBM50004213'   
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))		BDBM50004213
PNG
(CHEMBL3237178)
Show SMILES COC(=O)c1ccc(Nc2nc(NCCN3CCCCC3)cc(Nc3cc(C)[nH]n3)n2)cc1
Show InChI InChI=1S/C23H30N8O2/c1-16-14-21(30-29-16)26-20-15-19(24-10-13-31-11-4-3-5-12-31)27-23(28-20)25-18-8-6-17(7-9-18)22(32)33-2/h6-9,14-15H,3-5,10-13H2,1-2H3,(H4,24,25,26,27,28,29,30)
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Similars
Article
PubMed
n/an/a 228n/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