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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 = 'BDBM50379497'   
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))
BDBM50379497
PNG
(CHEMBL2012409)
Show SMILES Cn1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cc1C(=O)N1CCC[C@H]1CO |r|
Show InChI InChI=1S/C22H27N7O2/c1-27-11-16(8-19(27)21(31)28-4-2-3-17(28)12-30)25-22-23-9-15-10-24-29(20(15)26-22)18-6-13-5-14(13)7-18/h8-11,13-14,17-18,30H,2-7,12H2,1H3,(H,23,25,26)/t13-,14+,17-,18-/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora A kinase


Bioorg Med Chem Lett 22: 2070-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.019
BindingDB Entry DOI: 10.7270/Q2833T1N
More data for this
Ligand-Target Pair