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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50293694'   
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))
BDBM50293694
PNG
(CHEMBL560556 | N-(4-(4-methyl-6-(5-methyl-1H-pyraz...)
Show SMILES CCC(=O)Nc1ccc(Sc2nc(C)cc(Nc3cc(C)n[nH]3)n2)cc1
Show InChI InChI=1S/C18H20N6OS/c1-4-17(25)20-13-5-7-14(8-6-13)26-18-19-11(2)9-15(22-18)21-16-10-12(3)23-24-16/h5-10H,4H2,1-3H3,(H,20,25)(H2,19,21,22,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
5.10n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd

Curated by ChEMBL


Assay Description
Inhibition of Aurora-A by coupled assay


Bioorg Med Chem Lett 19: 3586-92 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.136
BindingDB Entry DOI: 10.7270/Q28K7944
More data for this
Ligand-Target Pair
3D
3D Structure (docked)