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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 = 'BDBM50315834'   
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))		BDBM50315834
PNG
(1-phenyl-N-(3-styryl-1H-indazol-5-yl)methanesulfon...)
Show SMILES O=S(=O)(Cc1ccccc1)Nc1ccc2[nH]nc(\C=C\c3ccccc3)c2c1
Show InChI InChI=1S/C22H19N3O2S/c26-28(27,16-18-9-5-2-6-10-18)25-19-12-14-22-20(15-19)21(23-24-22)13-11-17-7-3-1-4-8-17/h1-15,25H,16H2,(H,23,24)/b13-11+
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 35n/an/an/an/an/an/a



S*BIO Pte. Ltd

Curated by ChEMBL


Assay Description
Inhibition of hexahistidine tagged recombinant Aurora A expressed in Hi-5 cells assessed as ATP remaining after 2 hrs by bioluminnescence

Bioorg Med Chem Lett 20: 2443-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.018
BindingDB Entry DOI: 10.7270/Q24B31HK
More data for this
Ligand-Target Pair