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SMILES: Cc1cc(Nc2cc(nc(Nc3ccc(cc3)[N+]([O-])=O)n2)N2CCOCC2)n[nH]1

InChI Key: InChIKey=PTNJQVVLYMGNAG-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50004232   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Aurora kinase A


(Homo sapiens (Human))		BDBM50004232
PNG
(CHEMBL3237168)
Show SMILES Cc1cc(Nc2cc(nc(Nc3ccc(cc3)[N+]([O-])=O)n2)N2CCOCC2)n[nH]1
Show InChI InChI=1S/C18H20N8O3/c1-12-10-16(24-23-12)20-15-11-17(25-6-8-29-9-7-25)22-18(21-15)19-13-2-4-14(5-3-13)26(27)28/h2-5,10-11H,6-9H2,1H3,(H3,19,20,21,22,23,24)
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Similars
Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after...

Eur J Med Chem 78: 65-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.027
BindingDB Entry DOI: 10.7270/Q2Z60QKP
More data for this
Ligand-Target Pair