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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 = 'BDBM86622'   
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))		BDBM86622
PNG
(Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 2...)
Show SMILES CCN1CCN(Cc2ccc(Nc3ncc4N(C)C(=O)c5cccc(C)c5N(C)c4n3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C28H32F3N7O/c1-5-37-11-13-38(14-12-37)17-19-9-10-20(15-22(19)28(29,30)31)33-27-32-16-23-25(34-27)36(4)24-18(2)7-6-8-21(24)26(39)35(23)3/h6-10,15-16H,5,11-14,17H2,1-4H3,(H,32,33,34)
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Similars
Article
PubMed
n/an/a 11.6n/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