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SMILES: CN(C)Cc1ccc(cc1)-c1nc2ncc(Br)c(N3CCN(Cc4cc(C)on4)CC3)c2[nH]1

InChI Key: InChIKey=MAAOTDJLPPSMRD-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50318604   
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))		BDBM50318604
PNG
(1-(4-(6-Bromo-7-(4-((5-methylisoxazol-3-yl)methyl)...)
Show SMILES CN(C)Cc1ccc(cc1)-c1nc2ncc(Br)c(N3CCN(Cc4cc(C)on4)CC3)c2[nH]1
Show InChI InChI=1S/C24H28BrN7O/c1-16-12-19(29-33-16)15-31-8-10-32(11-9-31)22-20(25)13-26-24-21(22)27-23(28-24)18-6-4-17(5-7-18)14-30(2)3/h4-7,12-13H,8-11,14-15H2,1-3H3,(H,26,27,28)
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Similars
Article
PubMed
n/an/a 14n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora A expressed in baculovirus system

J Med Chem 53: 5213-28 (2010)


Article DOI: 10.1021/jm100262j
BindingDB Entry DOI: 10.7270/Q2GB251P
More data for this
Ligand-Target Pair		3D
3D Structure (docked)