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SMILES: COC(=O)c1ccc(Nc2nc(Nc3cc(C)[nH]n3)cc(n2)N2CCN(C)CC2)cc1Cl

InChI Key: InChIKey=VSNAFBXUZUBZJH-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50004234   
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))		BDBM50004234
PNG
(CHEMBL3237169)
Show SMILES COC(=O)c1ccc(Nc2nc(Nc3cc(C)[nH]n3)cc(n2)N2CCN(C)CC2)cc1Cl
Show InChI InChI=1S/C21H25ClN8O2/c1-13-10-18(28-27-13)24-17-12-19(30-8-6-29(2)7-9-30)26-21(25-17)23-14-4-5-15(16(22)11-14)20(31)32-3/h4-5,10-12H,6-9H2,1-3H3,(H3,23,24,25,26,27,28)
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Similars
Article
PubMed
n/an/a 7.70n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after...

Eur J Med Chem 78: 65-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.027
BindingDB Entry DOI: 10.7270/Q2Z60QKP
More data for this
Ligand-Target Pair