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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Aurora kinase B' and Ligand = 'BDBM50243388'   
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))
BDBM50243388
PNG
(AT-9283 | US10981896, Compound AT9283)
Show SMILES O=C(NC1CC1)Nc1c[nH]nc1-c1nc2cc(CN3CCOCC3)ccc2[nH]1
Show InChI InChI=1S/C19H23N7O2/c27-19(21-13-2-3-13)24-16-10-20-25-17(16)18-22-14-4-1-12(9-15(14)23-18)11-26-5-7-28-8-6-26/h1,4,9-10,13H,2-3,5-8,11H2,(H,20,25)(H,22,23)(H2,21,24,27)
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n/an/a 30n/an/an/an/an/an/a



Nirma University

Curated by ChEMBL


Assay Description
Inhibition of Aurora B kinase in human HCT116 cells assessed as reduction in polyploid phenotype


Eur J Med Chem 140: 1-19 (2017)


Article DOI: 10.1016/j.ejmech.2017.08.045
BindingDB Entry DOI: 10.7270/Q2WD4385
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50243388
PNG
(AT-9283 | US10981896, Compound AT9283)
Show SMILES O=C(NC1CC1)Nc1c[nH]nc1-c1nc2cc(CN3CCOCC3)ccc2[nH]1
Show InChI InChI=1S/C19H23N7O2/c27-19(21-13-2-3-13)24-16-10-20-25-17(16)18-22-14-4-1-12(9-15(14)23-18)11-26-5-7-28-8-6-26/h1,4,9-10,13H,2-3,5-8,11H2,(H,20,25)(H,22,23)(H2,21,24,27)
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n/an/a 30n/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Inhibition of Aurora B in human B-NHL cells assessed as inhibition of histone H3 phosphorylation on Ser10 by immunoblotting analysis


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115351
BindingDB Entry DOI: 10.7270/Q2PC35XX
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50243388
PNG
(AT-9283 | US10981896, Compound AT9283)
Show SMILES O=C(NC1CC1)Nc1c[nH]nc1-c1nc2cc(CN3CCOCC3)ccc2[nH]1
Show InChI InChI=1S/C19H23N7O2/c27-19(21-13-2-3-13)24-16-10-20-25-17(16)18-22-14-4-1-12(9-15(14)23-18)11-26-5-7-28-8-6-26/h1,4,9-10,13H,2-3,5-8,11H2,(H,20,25)(H,22,23)(H2,21,24,27)
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n/an/a 62n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Aurora B (unknown origin) incubated for 40 mins in presence of ATP by Kinase-glo luminescence assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112934
BindingDB Entry DOI: 10.7270/Q2H70KG0
More data for this
Ligand-Target Pair