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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 = 'BDBM50335612'   
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))
BDBM50335612
PNG
(3-((4-(2-(4-((1H-pyrazol-1-yl)methyl)phenyl)-6-chl...)
Show SMILES Cc1cc(CN2CCN(CC2)c2c(Cl)cnc3nc([nH]c23)-c2ccc(Cn3cccn3)cc2)no1
Show InChI InChI=1S/C25H25ClN8O/c1-17-13-20(31-35-17)16-32-9-11-33(12-10-32)23-21(26)14-27-25-22(23)29-24(30-25)19-5-3-18(4-6-19)15-34-8-2-7-28-34/h2-8,13-14H,9-12,15-16H2,1H3,(H,27,29,30)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 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