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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 = 'BDBM50193024'   
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))		BDBM50193024
PNG
(CHEMBL3909068)
Show SMILES CN1c2ccc(C)cc2C(=O)N(C)c2cnc(Nc3ccc(cc3)S(=O)(=O)N3CCN(CC3)C(=O)C=C)nc12
Show InChI InChI=1S/C27H29N7O4S/c1-5-24(35)33-12-14-34(15-13-33)39(37,38)20-9-7-19(8-10-20)29-27-28-17-23-25(30-27)31(3)22-11-6-18(2)16-21(22)26(36)32(23)4/h5-11,16-17H,1,12-15H2,2-4H3,(H,28,29,30)
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n/an/a 16n/an/an/an/an/an/a



Dana-Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of human Aurora kinase B (D25 to A303 residues) expressed in mammalian expression system by Z'LYTE assay

ACS Med Chem Lett 7: 908-912 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00209
BindingDB Entry DOI: 10.7270/Q27P91B0
More data for this
Ligand-Target Pair