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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 = 'BDBM50372017'   
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))
BDBM50372017
PNG
(CHEMBL1589017)
Show SMILES Oc1c2CN(Cc3ccccc3)C(=O)c2nc2cc(nn12)-c1ccco1
Show InChI InChI=1S/C19H14N4O3/c24-18-13-11-22(10-12-5-2-1-3-6-12)19(25)17(13)20-16-9-14(21-23(16)18)15-7-4-8-26-15/h1-9,21H,10-11H2
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 560n/an/an/an/an/an/a



Nirma University

Curated by ChEMBL


Assay Description
Inhibition of Aurora A kinase (unknown origin)


Eur J Med Chem 140: 1-19 (2017)


Article DOI: 10.1016/j.ejmech.2017.08.045
BindingDB Entry DOI: 10.7270/Q2WD4385
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50372017
PNG
(CHEMBL1589017)
Show SMILES Oc1c2CN(Cc3ccccc3)C(=O)c2nc2cc(nn12)-c1ccco1
Show InChI InChI=1S/C19H14N4O3/c24-18-13-11-22(10-12-5-2-1-3-6-12)19(25)17(13)20-16-9-14(21-23(16)18)15-7-4-8-26-15/h1-9,21H,10-11H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.51E+4n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of Aurora A kinase


Bioorg Med Chem Lett 18: 1623-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.068
BindingDB Entry DOI: 10.7270/Q261115V
More data for this
Ligand-Target Pair