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SMILES: COc1ccc(\C=N\Nc2[nH]nc(C)c2C(=O)Nc2cccc(OC)c2)cc1

InChI Key: InChIKey=PYBWCZHBDNJDHC-CIAFOILYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50479524   
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))		BDBM50479524
PNG
(CHEMBL474344)
Show SMILES COc1ccc(\C=N\Nc2[nH]nc(C)c2C(=O)Nc2cccc(OC)c2)cc1
Show InChI InChI=1S/C20H21N5O3/c1-13-18(20(26)22-15-5-4-6-17(11-15)28-3)19(25-23-13)24-21-12-14-7-9-16(27-2)10-8-14/h4-12H,1-3H3,(H,22,26)(H2,23,24,25)/b21-12+
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MMDB

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PC cid
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Article
PubMed
n/an/a 449n/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