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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 = 'BDBM50004237'   
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))
BDBM50004237
PNG
(CHEMBL3237171)
Show SMILES COC(=O)c1ccc(CNc2nc(Nc3cc(C)[nH]n3)cc(n2)N2CCOCC2)cc1
Show InChI InChI=1S/C21H25N7O3/c1-14-11-18(27-26-14)23-17-12-19(28-7-9-31-10-8-28)25-21(24-17)22-13-15-3-5-16(6-4-15)20(29)30-2/h3-6,11-12H,7-10,13H2,1-2H3,(H3,22,23,24,25,26,27)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 97n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after...


Eur J Med Chem 78: 65-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.027
BindingDB Entry DOI: 10.7270/Q2Z60QKP
More data for this
Ligand-Target Pair