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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 = 'BDBM50460780'   
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))		BDBM50460780
PNG
(CHEMBL4227844)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(Cn3cccc(C)c3=O)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C20H18N8OS/c1-12-4-3-5-27(20(12)29)11-15-6-17(30-26-15)25-18-19-21-9-16(14-7-22-23-8-14)28(19)10-13(2)24-18/h3-10H,11H2,1-2H3,(H,22,23)(H,24,25)
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PC cid
PC sid
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Article
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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