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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 = 'BDBM50348645'   
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))
BDBM50348645
PNG
(CHEMBL1801135)
Show SMILES Cc1cc(Nc2nc(cn3c(cnc23)-c2cn[nH]c2)C(=O)N2CCCC2)sn1
Show InChI InChI=1S/C18H18N8OS/c1-11-6-15(28-24-11)23-16-17-19-9-14(12-7-20-21-8-12)26(17)10-13(22-16)18(27)25-4-2-3-5-25/h6-10H,2-5H2,1H3,(H,20,21)(H,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 14n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 5170-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.008
BindingDB Entry DOI: 10.7270/Q2Q81DGH
More data for this
Ligand-Target Pair