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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 = 'BDBM50053259'   
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))
BDBM50053259
PNG
(CHEMBL3330133)
Show SMILES O=c1[nH]c2sccc2c(N[C@H]2CCCNC2)c1-c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C19H19N5OS/c25-18-15(17-22-13-5-1-2-6-14(13)23-17)16(12-7-9-26-19(12)24-18)21-11-4-3-8-20-10-11/h1-2,5-7,9,11,20H,3-4,8,10H2,(H,22,23)(H2,21,24,25)/t11-/m0/s1
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Similars

Article
PubMed
n/an/a 495n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin) expressed in Escherichia coli by ZLYTETM assay


Bioorg Med Chem 22: 4882-92 (2014)


Article DOI: 10.1016/j.bmc.2014.06.044
BindingDB Entry DOI: 10.7270/Q2TM7CRB
More data for this
Ligand-Target Pair