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BDBM50382004 CHEMBL2022124

SMILES: Cc1cn2c(cnc2c(Nc2cc(CN3CCCCC3)ns2)n1)-c1cnn(Cc2nc(no2)-c2ccccc2)c1

InChI Key: InChIKey=KBEMBPBFYDFWAD-UHFFFAOYSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50382004   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Aurora kinase B


(Homo sapiens (Human))
BDBM50382004
PNG
(CHEMBL2022124)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCCCC3)ns2)n1)-c1cnn(Cc2nc(no2)-c2ccccc2)c1
Show InChI InChI=1S/C28H28N10OS/c1-19-15-38-23(21-13-30-37(16-21)18-24-32-26(34-39-24)20-8-4-2-5-9-20)14-29-28(38)27(31-19)33-25-12-22(35-40-25)17-36-10-6-3-7-11-36/h2,4-5,8-9,12-16H,3,6-7,10-11,17-18H2,1H3,(H,31,33)
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Similars

Article
PubMed
n/an/an/an/a>1.00E+3n/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