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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 = 'BDBM50382006'   
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))
BDBM50382006
PNG
(CHEMBL2023292)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCCCC3)ns2)n1)-c1cnn(Cc2nc(c[nH]2)-c2ccccc2)c1
Show InChI InChI=1S/C29H30N10S/c1-20-16-39-25(22-13-32-38(17-22)19-26-30-14-24(34-26)21-8-4-2-5-9-21)15-31-29(39)28(33-20)35-27-12-23(36-40-27)18-37-10-6-3-7-11-37/h2,4-5,8-9,12-17H,3,6-7,10-11,18-19H2,1H3,(H,30,34)(H,33,35)
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PC cid
PC sid
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n/an/a 21n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of aurora B kinase using 5TAMRA-GRTGRRNSICOOH as substrate by fluorescent assay


Bioorg Med Chem Lett 22: 3544-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.051
BindingDB Entry DOI: 10.7270/Q2X34ZGD
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50382006
PNG
(CHEMBL2023292)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCCCC3)ns2)n1)-c1cnn(Cc2nc(c[nH]2)-c2ccccc2)c1
Show InChI InChI=1S/C29H30N10S/c1-20-16-39-25(22-13-32-38(17-22)19-26-30-14-24(34-26)21-8-4-2-5-9-21)15-31-29(39)28(33-20)35-27-12-23(36-40-27)18-37-10-6-3-7-11-37/h2,4-5,8-9,12-17H,3,6-7,10-11,18-19H2,1H3,(H,30,34)(H,33,35)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 887n/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of aurora B kinase in human HCT116 cells assessed as inhibition of histone H3 phosphorylation incubated for 1 hr by Hoechst 33342 staining...


Bioorg Med Chem Lett 22: 3544-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.051
BindingDB Entry DOI: 10.7270/Q2X34ZGD
More data for this
Ligand-Target Pair