BindingDB logo
myBDB logout

null

SMILES: CCOc1ccc(NC(=O)c2cn(nc2-c2ccc(cc2)[N+]([O-])=O)-c2ccccc2)cc1

InChI Key: InChIKey=PJAZBLORBOLJEM-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50383835   
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))		BDBM50383835
PNG
(CHEMBL2030993)
Show SMILES CCOc1ccc(NC(=O)c2cn(nc2-c2ccc(cc2)[N+]([O-])=O)-c2ccccc2)cc1
Show InChI InChI=1S/C24H20N4O4/c1-2-32-21-14-10-18(11-15-21)25-24(29)22-16-27(19-6-4-3-5-7-19)26-23(22)17-8-12-20(13-9-17)28(30)31/h3-16H,2H2,1H3,(H,25,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 160n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora A kinase using biotinylated peptide substrate preincubated for 15 mins with compound measured after 30 mins by...

Bioorg Med Chem Lett 22: 3589-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.066
BindingDB Entry DOI: 10.7270/Q2GF0VJZ
More data for this
Ligand-Target Pair