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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 = 'BDBM50160896'   
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))		BDBM50160896
PNG
(CHEMBL3794450)
Show SMILES COC(=O)c1cccc(NC(=O)c2cc(ccc2O)-n2cc(CNc3cc(C)on3)nn2)c1
Show InChI InChI=1S/C22H20N6O5/c1-13-8-20(26-33-13)23-11-16-12-28(27-25-16)17-6-7-19(29)18(10-17)21(30)24-15-5-3-4-14(9-15)22(31)32-2/h3-10,12,29H,11H2,1-2H3,(H,23,26)(H,24,30)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.24E+4n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of human Aurora A using H-LRRASLG as substrate after 2 hrs by HotSpot assay in presence of 33P-ATP and 10 uM ATP

Bioorg Med Chem 24: 2114-24 (2016)


Article DOI: 10.1016/j.bmc.2016.03.042
BindingDB Entry DOI: 10.7270/Q2ZW1NST
More data for this
Ligand-Target Pair