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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 = 'BDBM50435032'   
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))		BDBM50435032
PNG
(CHEMBL2391133)
Show SMILES [O-][N+](=O)c1ccccc1-c1ccc(CSc2nnc(o2)-c2ccncc2)cc1
Show InChI InChI=1S/C20H14N4O3S/c25-24(26)18-4-2-1-3-17(18)15-7-5-14(6-8-15)13-28-20-23-22-19(27-20)16-9-11-21-12-10-16/h1-12H,13H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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PC cid
PC sid
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Article
PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AURKA by FRET assay

Eur J Med Chem 61: 26-40 (2013)


Article DOI: 10.1016/j.ejmech.2012.06.006
BindingDB Entry DOI: 10.7270/Q2KD209T
More data for this
Ligand-Target Pair