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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50224758'   
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))
BDBM50224758
PNG
(3-(3H-imidazo[4,5-b]pyridin-2-yl)-N,N-dimethylbenz...)
Show SMILES CN(C)c1cccc(c1)-c1nc2ncccc2[nH]1
Show InChI InChI=1S/C14H14N4/c1-18(2)11-6-3-5-10(9-11)13-16-12-7-4-8-15-14(12)17-13/h3-9H,1-2H3,(H,15,16,17)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Inhibition of Aurora A


Eur J Med Chem 46: 77-94 (2010)


Article DOI: 10.1016/j.ejmech.2010.10.017
BindingDB Entry DOI: 10.7270/Q25X296N
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50224758
PNG
(3-(3H-imidazo[4,5-b]pyridin-2-yl)-N,N-dimethylbenz...)
Show SMILES CN(C)c1cccc(c1)-c1nc2ncccc2[nH]1
Show InChI InChI=1S/C14H14N4/c1-18(2)11-6-3-5-10(9-11)13-16-12-7-4-8-15-14(12)17-13/h3-9H,1-2H3,(H,15,16,17)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of aurora A kinase


Bioorg Med Chem Lett 17: 6567-71 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.076
BindingDB Entry DOI: 10.7270/Q27D2TVT
More data for this
Ligand-Target Pair