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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase B' and Ligand = 'BDBM86621'   
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 B


(Homo sapiens (Human))		BDBM86621
PNG
(Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 2...)
Show SMILES CCN1CCN(Cc2ccc(Nc3ncc4N(C)C(=O)c5ccccc5Sc4n3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C26H27F3N6OS/c1-3-34-10-12-35(13-11-34)16-17-8-9-18(14-20(17)26(27,28)29)31-25-30-15-21-23(32-25)37-22-7-5-4-6-19(22)24(36)33(21)2/h4-9,14-15H,3,10-13,16H2,1-2H3,(H,30,31,32)
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n/an/a 3.82E+3n/an/an/an/an/an/a



Harvard Medical School



Assay Description
In vitro kinase assay of Aurora A, B, and C using Z-LYTE technology (Invitrogen) and ATP at Km apparent for each kinase.

ACS Chem Biol 7: 185-96 (2012)


Article DOI: 10.1021/cb200305u
BindingDB Entry DOI: 10.7270/Q2PV6HZG
More data for this
Ligand-Target Pair