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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 = 'BDBM86602'   
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))		BDBM86602
PNG
(Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 8)
Show SMILES CCN1CCN(CC1)C(=O)Cc1ccc(Nc2ncc3N(C)C(=O)c4ccccc4N(C)c3n2)cc1
Show InChI InChI=1S/C27H31N7O2/c1-4-33-13-15-34(16-14-33)24(35)17-19-9-11-20(12-10-19)29-27-28-18-23-25(30-27)31(2)22-8-6-5-7-21(22)26(36)32(23)3/h5-12,18H,4,13-17H2,1-3H3,(H,28,29,30)
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Article
PubMed
n/an/a 18.7n/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