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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 = 'BDBM50292246'   
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))		BDBM50292246
PNG
(CHEMBL4160260)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Nc2ccc(Cl)c(F)c2)n1
Show InChI InChI=1S/C19H22ClFN8/c1-12-9-17(27-26-12)23-16-11-18(29-7-5-28(2)6-8-29)25-19(24-16)22-13-3-4-14(20)15(21)10-13/h3-4,9-11H,5-8H2,1-2H3,(H3,22,23,24,25,26,27)
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Article
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n/an/a 31n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of AURKA (unknown origin) using FAM-labeled peptide substrate preincubated for 10 mins followed by substrate addition measured after 60 mi...

Eur J Med Chem 145: 805-812 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.082
BindingDB Entry DOI: 10.7270/Q2RX9FMM
More data for this
Ligand-Target Pair