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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 = 'BDBM50443495'   
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))		BDBM50443495
PNG
(CHEMBL3087775)
Show SMILES COc1ccc(cc1)-c1[nH]c2ncc(Cl)cc2c1-c1cccc(CNC(C)=O)c1
Show InChI InChI=1S/C23H20ClN3O2/c1-14(28)25-12-15-4-3-5-17(10-15)21-20-11-18(24)13-26-23(20)27-22(21)16-6-8-19(29-2)9-7-16/h3-11,13H,12H2,1-2H3,(H,25,28)(H,26,27)
PDB
MMDB

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KEGG

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 743n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal HIS-tagged aurora-A (unknown origin) using 5FAM-LRRASLG-CONH2 as substrate after 60 mins

J Med Chem 56: 9122-35 (2013)


Article DOI: 10.1021/jm401115g
BindingDB Entry DOI: 10.7270/Q2R78GPN
More data for this
Ligand-Target Pair