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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 = 'BDBM50206407'   
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))
BDBM50206407
PNG
(CHEMBL3946005)
Show SMILES OC(=O)\C=C\C(=O)Nc1cccc(c1)-c1n[nH]c2ccc(NS(=O)(=O)c3ccccc3)cc12
Show InChI InChI=1S/C23H18N4O5S/c28-21(11-12-22(29)30)24-16-6-4-5-15(13-16)23-19-14-17(9-10-20(19)25-26-23)27-33(31,32)18-7-2-1-3-8-18/h1-14,27H,(H,24,28)(H,25,26)(H,29,30)/b12-11+
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 51n/an/an/an/an/an/a



Taiwan National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Aurora A (123 to 401 residues) (unknown origin) preincubated for 15 mins followed by tetra(LRRWSLG) substrate addition measu...


Eur J Med Chem 124: 186-199 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.026
BindingDB Entry DOI: 10.7270/Q2668G5M
More data for this
Ligand-Target Pair