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PubMed code 18579375

Compile data set for download or QSAR
Found 3 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Aurora kinase A


(Homo sapiens (Human))		BDBM50251960
PNG
(3-(6-(9H-purin-6-ylamino)hexanamido)-N-butylbenzam...)
Show SMILES CCCCNC(=O)c1cccc(NC(=O)CCCCCNc2ncnc3nc[nH]c23)c1
Show InChI InChI=1S/C22H29N7O2/c1-2-3-11-24-22(31)16-8-7-9-17(13-16)29-18(30)10-5-4-6-12-23-20-19-21(26-14-25-19)28-15-27-20/h7-9,13-15H,2-6,10-12H2,1H3,(H,24,31)(H,29,30)(H2,23,25,26,27,28)
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n/an/a 2.90E+3n/an/an/an/an/an/a



Sunesis Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora kinase A (unknown origin)

Bioorg Med Chem Lett 18: 3978-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.011
BindingDB Entry DOI: 10.7270/Q2T43SWR
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))		BDBM50251910
PNG
(3-(7-(6-aminopyrimidin-4-ylamino)heptanamido)-N-bu...)
Show SMILES CCCCNC(=O)c1cccc(NC(=O)CCCCCCNc2cc(N)ncn2)c1
Show InChI InChI=1S/C22H32N6O2/c1-2-3-12-25-22(30)17-9-8-10-18(14-17)28-21(29)11-6-4-5-7-13-24-20-15-19(23)26-16-27-20/h8-10,14-16H,2-7,11-13H2,1H3,(H,25,30)(H,28,29)(H3,23,24,26,27)
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PubMed
n/an/a 1.70E+4n/an/an/an/an/an/a



Sunesis Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora kinase A (unknown origin)

Bioorg Med Chem Lett 18: 3978-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.011
BindingDB Entry DOI: 10.7270/Q2T43SWR
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))		BDBM50251961
PNG
(CHEMBL449217 | N-hexyl-9H-purin-6-amine)
Show SMILES CCCCCCNc1ncnc2nc[nH]c12
Show InChI InChI=1S/C11H17N5/c1-2-3-4-5-6-12-10-9-11(14-7-13-9)16-8-15-10/h7-8H,2-6H2,1H3,(H2,12,13,14,15,16)
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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Sunesis Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora kinase A (unknown origin)

Bioorg Med Chem Lett 18: 3978-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.011
BindingDB Entry DOI: 10.7270/Q2T43SWR
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%