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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50318600'   
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))
BDBM50318600
PNG
(4-(4-(6-Bromo-7-(4-((1-methyl-1H-imidazol-2-yl)met...)
Show SMILES Cn1ccnc1CN1CCN(CC1)c1c(Br)cnc2nc([nH]c12)-c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C26H31BrN8O/c1-32-7-6-28-22(32)18-33-8-10-35(11-9-33)24-21(27)16-29-26-23(24)30-25(31-26)20-4-2-19(3-5-20)17-34-12-14-36-15-13-34/h2-7,16H,8-15,17-18H2,1H3,(H,29,30,31)
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PubMed
n/an/a 30n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora A expressed in baculovirus system


J Med Chem 53: 5213-28 (2010)


Article DOI: 10.1021/jm100262j
BindingDB Entry DOI: 10.7270/Q2GB251P
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50318600
PNG
(4-(4-(6-Bromo-7-(4-((1-methyl-1H-imidazol-2-yl)met...)
Show SMILES Cn1ccnc1CN1CCN(CC1)c1c(Br)cnc2nc([nH]c12)-c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C26H31BrN8O/c1-32-7-6-28-22(32)18-33-8-10-35(11-9-33)24-21(27)16-29-26-23(24)30-25(31-26)20-4-2-19(3-5-20)17-34-12-14-36-15-13-34/h2-7,16H,8-15,17-18H2,1H3,(H,29,30,31)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Inhibition of Aurora A


Eur J Med Chem 46: 77-94 (2010)


Article DOI: 10.1016/j.ejmech.2010.10.017
BindingDB Entry DOI: 10.7270/Q25X296N
More data for this
Ligand-Target Pair