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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 = 'BDBM50255049'   
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))
BDBM50255049
PNG
(5-{[2-(4-Chloro-benzenesulfonyl)-acetyl]-hydrazono...)
Show SMILES OC(=O)c1cc(C=NNC(=O)CS(=O)(=O)c2ccc(Cl)cc2)c(F)c(F)c1Nc1ccc(I)cc1F |w:6.5|
Show InChI InChI=1S/C22H14ClF3IN3O5S/c23-12-1-4-14(5-2-12)36(34,35)10-18(31)30-28-9-11-7-15(22(32)33)21(20(26)19(11)25)29-17-6-3-13(27)8-16(17)24/h1-9,29H,10H2,(H,30,31)(H,32,33)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to Aurora A (unknown origin)


Bioorg Med Chem Lett 19: 226-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.108
BindingDB Entry DOI: 10.7270/Q22F7N98
More data for this
Ligand-Target Pair