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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 = 'BDBM50394792'   
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))
BDBM50394792
PNG
(CHEMBL2163396)
Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@H](C4)NS(C)(=O)=O)cc3)nn3cccc23)n[nH]1 |r|
Show InChI InChI=1S/C23H27N9O3S2/c1-15-12-20(28-27-15)25-22-19-4-3-10-32(19)29-23(26-22)36-18-7-5-16(6-8-18)24-21(33)14-31-11-9-17(13-31)30-37(2,34)35/h3-8,10,12,17,30H,9,11,13-14H2,1-2H3,(H,24,33)(H2,25,26,27,28,29)/t17-/m1/s1
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/an/a 12n/an/an/an/an/a



Ambit Biosciences Corporation

Curated by ChEMBL


Assay Description
Inhibition of Aurora kinase A autophosphorylation in human HEK293 cells after 2 hrs by phosphor antibody readout assay


J Med Chem 55: 3250-60 (2012)


Article DOI: 10.1021/jm201702g
BindingDB Entry DOI: 10.7270/Q2W0971F
More data for this
Ligand-Target Pair