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SMILES: OC(=O)CCc1c(C=C2C(=O)Nc3ccc(Br)cc23)[nH]c2CCCC(=O)c12

InChI Key: InChIKey=OJQKWSXMDZDKJR-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50324251   
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))		BDBM50324251
PNG
((Z)-3-{2-[(5-Bromo-2-oxoindolin-3-ylidene)methyl]-...)
Show SMILES OC(=O)CCc1c(C=C2C(=O)Nc3ccc(Br)cc23)[nH]c2CCCC(=O)c12 |w:7.6|
Show InChI InChI=1S/C20H17BrN2O4/c21-10-4-6-14-12(8-10)13(20(27)23-14)9-16-11(5-7-18(25)26)19-15(22-16)2-1-3-17(19)24/h4,6,8-9,22H,1-3,5,7H2,(H,23,27)(H,25,26)
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Article
PubMed
n/an/a 210n/an/an/an/an/an/a



Development Center for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of recombinant aurora A

J Med Chem 53: 5929-41 (2010)


Article DOI: 10.1021/jm1001869
BindingDB Entry DOI: 10.7270/Q2XS5VKS
More data for this
Ligand-Target Pair