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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 = 'BDBM92817'   
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))
BDBM92817
PNG
(Bisanilinopyrimidine, 6j | US9249124, 33)
Show SMILES OC(=O)Cc1ccc(Nc2nccc(Nc3ccccc3Cl)n2)cc1
Show InChI InChI=1S/C18H15ClN4O2/c19-14-3-1-2-4-15(14)22-16-9-10-20-18(23-16)21-13-7-5-12(6-8-13)11-17(24)25/h1-10H,11H2,(H,24,25)(H2,20,21,22,23)
PDB
MMDB

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KEGG
PC cid
PC sid
UniChem
US Patent
n/an/a 3.30n/an/an/an/a7.425



H. Lee Moffitt Cancer Center and Research Institute, Inc.

US Patent


Assay Description
Reactions were carried out at room temperature in 15 mM HEPES buffer (pH 7.4) containing 20 mM NaCl, 1 mM EGTA, 0.02% Tween 20, 10 mM MgCl2, 5% (v/v)...


US Patent US9249124 (2016)


BindingDB Entry DOI: 10.7270/Q2J1020R
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM92817
PNG
(Bisanilinopyrimidine, 6j | US9249124, 33)
Show SMILES OC(=O)Cc1ccc(Nc2nccc(Nc3ccccc3Cl)n2)cc1
Show InChI InChI=1S/C18H15ClN4O2/c19-14-3-1-2-4-15(14)22-16-9-10-20-18(23-16)21-13-7-5-12(6-8-13)11-17(24)25/h1-10H,11H2,(H,24,25)(H2,20,21,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.30n/an/an/an/an/an/a



Moffitt Cancer Center



Assay Description
In vitro enzyme activity assay using Aurora Kinase A.


J Med Chem 55: 7392-416 (2012)


Article DOI: 10.1021/jm300334d
BindingDB Entry DOI: 10.7270/Q2V986NH
More data for this
Ligand-Target Pair