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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 = 'BDBM86618'   
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))		BDBM86618
PNG
(Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 2...)
Show SMILES CCN1CCN(Cc2ccc(Nc3ncc4N(C)C(=O)c5ccccc5N(C(C)C)c4n3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H34F3N7O/c1-5-37-12-14-38(15-13-37)18-20-10-11-21(16-23(20)29(30,31)32)34-28-33-17-25-26(35-28)39(19(2)3)24-9-7-6-8-22(24)27(40)36(25)4/h6-11,16-17,19H,5,12-15,18H2,1-4H3,(H,33,34,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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Similars
Article
PubMed
n/an/a 81.7n/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