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SMILES: COc1ccc(\C=N\Nc2[nH]nc(C)c2C(=O)Nc2ccccc2)cc1

InChI Key: InChIKey=RMDSLLJKAVJUJW-UDWIEESQSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50479527   
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))		BDBM50479527
PNG
(CHEMBL461954)
Show SMILES COc1ccc(\C=N\Nc2[nH]nc(C)c2C(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C19H19N5O2/c1-13-17(19(25)21-15-6-4-3-5-7-15)18(24-22-13)23-20-12-14-8-10-16(26-2)11-9-14/h3-12H,1-2H3,(H,21,25)(H2,22,23,24)/b20-12+
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PC cid
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Article
PubMed
n/an/a 804n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of Aurora kinase A T288D mutant expressed in Escherichia coli BL21 DE3

J Med Chem 52: 1050-62 (2009)


Article DOI: 10.1021/jm801270e
BindingDB Entry DOI: 10.7270/Q27M0BQJ
More data for this
Ligand-Target Pair