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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 = 'BDBM50215752'   
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))
BDBM50215752
PNG
(6-(4-methylpiperazin-1-yl)-2-(4-(2-(pyridin-3-yl)v...)
Show SMILES CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1n[nH]cc1C=Cc1cccnc1 |w:22.26|
Show InChI InChI=1S/C22H23N7/c1-28-9-11-29(12-10-28)18-6-7-19-20(13-18)26-22(25-19)21-17(15-24-27-21)5-4-16-3-2-8-23-14-16/h2-8,13-15H,9-12H2,1H3,(H,24,27)(H,25,26)
PDB
MMDB

NCI pathway
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UniProtKB/SwissProt

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DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibition of aurora-A


Bioorg Med Chem Lett 17: 4557-61 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.092
BindingDB Entry DOI: 10.7270/Q2DB81JD
More data for this
Ligand-Target Pair