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Compile Data Set for Download or QSAR

Found 2 hits of Enz. Inhib. data with enzyme = 'Aurora kinase A' and Substrate = 'PKA-specific peptide substrate'   
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))
BDBM25521
PNG
(2-amino-pyrazolopyridine, 37 | N-{2-[3-chloro-5-(3...)
Show SMILES C[C@H](Nc1cc2n(nc(C)c2cn1)-c1cc(Cl)cc(c1)-c1ccccc1NC(C)=O)c1ccccc1
Show InChI InChI=1S/C29H26ClN5O/c1-18(21-9-5-4-6-10-21)32-29-16-28-26(17-31-29)19(2)34-35(28)24-14-22(13-23(30)15-24)25-11-7-8-12-27(25)33-20(3)36/h4-18H,1-3H3,(H,31,32)(H,33,36)/t18-/m0/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.80E+3n/an/an/an/an/an/a



Sunesis Pharmaceuticals



Assay Description
The activity was determined by IMAP assay. The enzyme was incubated with fluorescein labeled peptide and phosphorylation was detected by IMAP technol...


Bioorg Med Chem Lett 18: 5648-52 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.095
BindingDB Entry DOI: 10.7270/Q29C6VRP
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM25518
PNG
(2-amino-pyrazolopyridine, 29 | 3-[3-chloro-5-(3-me...)
Show SMILES C[C@H](Nc1cc2n(nc(C)c2cn1)-c1cc(Cl)cc(CCC(N)=O)c1)c1ccccc1
Show InChI InChI=1S/C24H24ClN5O/c1-15(18-6-4-3-5-7-18)28-24-13-22-21(14-27-24)16(2)29-30(22)20-11-17(8-9-23(26)31)10-19(25)12-20/h3-7,10-15H,8-9H2,1-2H3,(H2,26,31)(H,27,28)/t15-/m0/s1
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Sunesis Pharmaceuticals



Assay Description
The activity was determined by IMAP assay. The enzyme was incubated with fluorescein labeled peptide and phosphorylation was detected by IMAP technol...


Bioorg Med Chem Lett 18: 5648-52 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.095
BindingDB Entry DOI: 10.7270/Q29C6VRP
More data for this
Ligand-Target Pair