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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 = 'BDBM116749'   
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))		BDBM116749
PNG
(US8637532, 462)
Show SMILES COCCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(OC(F)(F)F)cc2)c1
Show InChI InChI=1S/C27H24F3N5O4/c1-38-13-12-22(35-25-21-7-3-6-20(24(31)36)23(21)32-15-33-25)17-4-2-5-18(14-17)34-26(37)16-8-10-19(11-9-16)39-27(28,29)30/h2-11,14-15,22H,12-13H2,1H3,(H2,31,36)(H,34,37)(H,32,33,35)
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Similars
US Patent
n/an/a 0.0500n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The Aurora assays described here are performed on two Caliper Life Sciences systems: the LC3000 and the Desktop Profiler. These provide data on enzym...

US Patent US8637532 (2014)


BindingDB Entry DOI: 10.7270/Q21G0JZX
More data for this
Ligand-Target Pair