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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 = 'BDBM50479509'   
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))
BDBM50479509
PNG
(CHEMBL473948)
Show SMILES COc1ccc(\C=N\Nc2[nH]nc(C)c2C(=O)NCCc2cccc(OC)c2)cc1
Show InChI InChI=1S/C22H25N5O3/c1-15-20(22(28)23-12-11-16-5-4-6-19(13-16)30-3)21(27-25-15)26-24-14-17-7-9-18(29-2)10-8-17/h4-10,13-14H,11-12H2,1-3H3,(H,23,28)(H2,25,26,27)/b24-14+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.90E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of Aurora kinase A T288D mutant expressed in Escherichia coli BL21 DE3


J Med Chem 52: 1050-62 (2009)


Article DOI: 10.1021/jm801270e
BindingDB Entry DOI: 10.7270/Q27M0BQJ
More data for this
Ligand-Target Pair