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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 = 'BDBM50224753'   
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))
BDBM50224753
PNG
(1-(3-(2-(4-(dimethylamino)phenyl)-3H-imidazo[4,5-b...)
Show SMILES CN(C)c1ccc(cc1)-c1nc2ncc(cc2[nH]1)-c1cccc(c1)C(C)=O
Show InChI InChI=1S/C22H20N4O/c1-14(27)16-5-4-6-17(11-16)18-12-20-22(23-13-18)25-21(24-20)15-7-9-19(10-8-15)26(2)3/h4-13H,1-3H3,(H,23,24,25)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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DrugBank
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.00E+3n/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))
BDBM50224753
PNG
(1-(3-(2-(4-(dimethylamino)phenyl)-3H-imidazo[4,5-b...)
Show SMILES CN(C)c1ccc(cc1)-c1nc2ncc(cc2[nH]1)-c1cccc(c1)C(C)=O
Show InChI InChI=1S/C22H20N4O/c1-14(27)16-5-4-6-17(11-16)18-12-20-22(23-13-18)25-21(24-20)15-7-9-19(10-8-15)26(2)3/h4-13H,1-3H3,(H,23,24,25)
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 9.00E+3n/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