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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 = 'BDBM50348641'   
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))
BDBM50348641
PNG
(CHEMBL1801131)
Show SMILES CCSc1cn2c(cnc2c(Nc2cc(C)ns2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C15H15N7S2/c1-3-23-13-8-22-11(10-5-17-18-6-10)7-16-15(22)14(20-13)19-12-4-9(2)21-24-12/h4-8H,3H2,1-2H3,(H,17,18)(H,19,20)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
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Patents

Article
PubMed
n/an/a 22n/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