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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 = 'BDBM50318571'   
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))
BDBM50318571
PNG
(2-[4-(6-Bromo-3H-imidazo[4,5-b]pyridin-7-yl)-piper...)
Show SMILES Brc1cnc2nc[nH]c2c1N1CCN(CC(=O)Nc2nccs2)CC1
Show InChI InChI=1S/C15H16BrN7OS/c16-10-7-18-14-12(19-9-20-14)13(10)23-4-2-22(3-5-23)8-11(24)21-15-17-1-6-25-15/h1,6-7,9H,2-5,8H2,(H,17,21,24)(H,18,19,20)
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Article
PubMed
n/an/a 81n/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
Aurora kinase A


(Homo sapiens (Human))
BDBM50318571
PNG
(2-[4-(6-Bromo-3H-imidazo[4,5-b]pyridin-7-yl)-piper...)
Show SMILES Brc1cnc2nc[nH]c2c1N1CCN(CC(=O)Nc2nccs2)CC1
Show InChI InChI=1S/C15H16BrN7OS/c16-10-7-18-14-12(19-9-20-14)13(10)23-4-2-22(3-5-23)8-11(24)21-15-17-1-6-25-15/h1,6-7,9H,2-5,8H2,(H,17,21,24)(H,18,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 517n/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