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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Aurora kinase B' and Ligand = 'BDBM50433629'   
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 B


(Homo sapiens (Human))
BDBM50433629
PNG
(CHEMBL2380845)
Show SMILES O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1)c1ccccc1
Show InChI InChI=1S/C25H18N4O2/c30-24(16-6-2-1-3-7-16)28-18-12-10-17(11-13-18)27-21-14-15-26-23-22(21)19-8-4-5-9-20(19)25(31)29-23/h1-15H,(H,28,30)(H2,26,27,29,31)
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PC cid
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Similars

Article
PubMed
n/an/a 1n/an/an/an/an/an/a



EMD Serono Research Institute, Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora-B (unknown origin)


Bioorg Med Chem Lett 23: 3081-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.008
BindingDB Entry DOI: 10.7270/Q2QN686Z
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50433629
PNG
(CHEMBL2380845)
Show SMILES O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1)c1ccccc1
Show InChI InChI=1S/C25H18N4O2/c30-24(16-6-2-1-3-7-16)28-18-12-10-17(11-13-18)27-21-14-15-26-23-22(21)19-8-4-5-9-20(19)25(31)29-23/h1-15H,(H,28,30)(H2,26,27,29,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 208n/an/an/an/an/an/a



EMD Serono Research Institute, Inc.

Curated by ChEMBL


Assay Description
Inhibition of aurora-B in human MIAPaCa2 cells assessed as reduction of phosphorylation of histone H3


Bioorg Med Chem Lett 23: 3081-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.008
BindingDB Entry DOI: 10.7270/Q2QN686Z
More data for this
Ligand-Target Pair