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SMILES: CN(C)CCOc1cccc(c1)-c1nc2ncc(Cl)c(N3CCN(Cc4cc(C)on4)CC3)c2[nH]1

InChI Key: InChIKey=WWBDOTXIOLYQNH-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50401423   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Aurora kinase A


(Homo sapiens (Human))		BDBM50401423
PNG
(CHEMBL2203772)
Show SMILES CN(C)CCOc1cccc(c1)-c1nc2ncc(Cl)c(N3CCN(Cc4cc(C)on4)CC3)c2[nH]1
Show InChI InChI=1S/C25H30ClN7O2/c1-17-13-19(30-35-17)16-32-7-9-33(10-8-32)23-21(26)15-27-25-22(23)28-24(29-25)18-5-4-6-20(14-18)34-12-11-31(2)3/h4-6,13-15H,7-12,16H2,1-3H3,(H,27,28,29)
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Similars
Article
PubMed
n/an/a 130n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Binding affinity to Aurora A kinase

J Med Chem 55: 8721-34 (2012)


Article DOI: 10.1021/jm300952s
BindingDB Entry DOI: 10.7270/Q22J6D2W
More data for this
Ligand-Target Pair