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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50384165'   
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))
BDBM50384165
PNG
(CHEMBL2029908)
Show SMILES CN1CCN(CC1)C(=O)c1cc(Nc2ncc3cc(-c4cnco4)n(C4CCCC4)c3n2)cn1C
Show InChI InChI=1S/C25H30N8O2/c1-30-7-9-32(10-8-30)24(34)21-12-18(15-31(21)2)28-25-27-13-17-11-20(22-14-26-16-35-22)33(23(17)29-25)19-5-3-4-6-19/h11-16,19H,3-10H2,1-2H3,(H,27,28,29)
PDB
MMDB

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PC cid
PC sid
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Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora A kinase


Bioorg Med Chem Lett 22: 4033-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.085
BindingDB Entry DOI: 10.7270/Q24X58VK
More data for this
Ligand-Target Pair