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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 = 'BDBM50479515'   
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))
BDBM50479515
PNG
(CHEMBL455180)
Show SMILES CCOC(=O)c1c(C)n[nH]c1N\N=C\c1cccc2[nH]ccc12
Show InChI InChI=1S/C16H17N5O2/c1-3-23-16(22)14-10(2)19-21-15(14)20-18-9-11-5-4-6-13-12(11)7-8-17-13/h4-9,17H,3H2,1-2H3,(H2,19,20,21)/b18-9+
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 1.37E+4n/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