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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50224731'   
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))
BDBM50224731
PNG
(4-(6-chloro-3H-imidazo[4,5-b]pyridin-2-yl)-N,N-dim...)
Show SMILES CN(C)c1ccc(cc1)-c1nc2ncc(Cl)cc2[nH]1
Show InChI InChI=1S/C14H13ClN4/c1-19(2)11-5-3-9(4-6-11)13-17-12-7-10(15)8-16-14(12)18-13/h3-8H,1-2H3,(H,16,17,18)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 570n/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
Aurora kinase A


(Homo sapiens (Human))
BDBM50224731
PNG
(4-(6-chloro-3H-imidazo[4,5-b]pyridin-2-yl)-N,N-dim...)
Show SMILES CN(C)c1ccc(cc1)-c1nc2ncc(Cl)cc2[nH]1
Show InChI InChI=1S/C14H13ClN4/c1-19(2)11-5-3-9(4-6-11)13-17-12-7-10(15)8-16-14(12)18-13/h3-8H,1-2H3,(H,16,17,18)
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 570n/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))
BDBM50224731
PNG
(4-(6-chloro-3H-imidazo[4,5-b]pyridin-2-yl)-N,N-dim...)
Show SMILES CN(C)c1ccc(cc1)-c1nc2ncc(Cl)cc2[nH]1
Show InChI InChI=1S/C14H13ClN4/c1-19(2)11-5-3-9(4-6-11)13-17-12-7-10(15)8-16-14(12)18-13/h3-8H,1-2H3,(H,16,17,18)
PDB
MMDB

NCI pathway
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KEGG

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.97E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human purified recombinant aurora-A kinase


Bioorg Med Chem 18: 8035-43 (2010)


Article DOI: 10.1016/j.bmc.2010.09.020
BindingDB Entry DOI: 10.7270/Q2BZ668Q
More data for this
Ligand-Target Pair