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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 = 'BDBM50384166'   
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))
BDBM50384166
PNG
(CHEMBL2029909)
Show SMILES CN1CCN(CC1)C(=O)c1cc(Nc2ncc3cc(-c4cnn(C)c4)n(C4CCCC4)c3n2)cn1C
Show InChI InChI=1S/C26H33N9O/c1-31-8-10-34(11-9-31)25(36)23-13-20(17-32(23)2)29-26-27-14-18-12-22(19-15-28-33(3)16-19)35(24(18)30-26)21-6-4-5-7-21/h12-17,21H,4-11H2,1-3H3,(H,27,29,30)
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
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