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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 = 'BDBM50460777'   
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))		BDBM50460777
PNG
(CHEMBL4227818)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(Cc3cccc(CO)n3)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C20H18N8OS/c1-12-10-28-17(13-7-22-23-8-13)9-21-20(28)19(24-12)26-18-6-16(27-30-18)5-14-3-2-4-15(11-29)25-14/h2-4,6-10,29H,5,11H2,1H3,(H,22,23)(H,24,26)
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PC cid
PC sid
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Article
PubMed
n/an/a<4n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin) using Tamra-PKAtide as substrate by fluorescence polarization assay

Bioorg Med Chem Lett 28: 1397-1403 (2018)


Article DOI: 10.1016/j.bmcl.2018.02.037
BindingDB Entry DOI: 10.7270/Q2K35X91
More data for this
Ligand-Target Pair