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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 = 'BDBM50224737'   
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))
BDBM50224737
PNG
(CHEMBL237145 | N,N-dimethyl-4-(6-methyl-3H-imidazo...)
Show SMILES CN(C)c1ccc(cc1)-c1nc2ncc(C)cc2[nH]1
Show InChI InChI=1S/C15H16N4/c1-10-8-13-15(16-9-10)18-14(17-13)11-4-6-12(7-5-11)19(2)3/h4-9H,1-3H3,(H,16,17,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.90E+3n/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))
BDBM50224737
PNG
(CHEMBL237145 | N,N-dimethyl-4-(6-methyl-3H-imidazo...)
Show SMILES CN(C)c1ccc(cc1)-c1nc2ncc(C)cc2[nH]1
Show InChI InChI=1S/C15H16N4/c1-10-8-13-15(16-9-10)18-14(17-13)11-4-6-12(7-5-11)19(2)3/h4-9H,1-3H3,(H,16,17,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.90E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of aurora A kinase


Bioorg Med Chem Lett 17: 6567-71 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.076
BindingDB Entry DOI: 10.7270/Q27D2TVT
More data for this
Ligand-Target Pair