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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 = 'BDBM50292255'   
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))		BDBM50292255
PNG
(CHEMBL4175679)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Nc2ccc3OCOc3c2)n1
Show InChI InChI=1S/C20H24N8O2/c1-13-9-18(26-25-13)22-17-11-19(28-7-5-27(2)6-8-28)24-20(23-17)21-14-3-4-15-16(10-14)30-12-29-15/h3-4,9-11H,5-8,12H2,1-2H3,(H3,21,22,23,24,25,26)
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Similars
Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of VCAM binding to Alpha4-beta1 integrin of human eosinophil cell

Eur J Med Chem 145: 805-812 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.082
BindingDB Entry DOI: 10.7270/Q2RX9FMM
More data for this
Ligand-Target Pair