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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 = 'BDBM31863'   
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))
BDBM31863
PNG
(2,4-Bisanilinopyrimidine, 29)
Show SMILES COc1ccccc1Nc1nc(Nc2ccc(O)cc2)ncc1F
Show InChI InChI=1S/C17H15FN4O2/c1-24-15-5-3-2-4-14(15)21-16-13(18)10-19-17(22-16)20-11-6-8-12(23)9-7-11/h2-10,23H,1H3,(H2,19,20,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 20n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of AurA expressed in Escherichia coli or baculovirus-infected insect cells by IMAP assay


J Med Chem 54: 5131-43 (2011)


Article DOI: 10.1021/jm200349b
BindingDB Entry DOI: 10.7270/Q2F47PHP
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM31863
PNG
(2,4-Bisanilinopyrimidine, 29)
Show SMILES COc1ccccc1Nc1nc(Nc2ccc(O)cc2)ncc1F
Show InChI InChI=1S/C17H15FN4O2/c1-24-15-5-3-2-4-14(15)21-16-13(18)10-19-17(22-16)20-11-6-8-12(23)9-7-11/h2-10,23H,1H3,(H2,19,20,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Genentech



Assay Description
Aurora kinase was assayed in ELISA format using a GST fusion of the N-terminus of Histone H3 as substrate. Plates were coated with substrate, and the...


J Med Chem 52: 3300-7 (2009)


Article DOI: 10.1021/jm9000314
BindingDB Entry DOI: 10.7270/Q2M90706
More data for this
Ligand-Target Pair