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BDBM50004214 CHEMBL3237179

SMILES: COC(=O)c1ccc(Nc2nc(NCCN3CCOCC3)cc(Nc3cc(C)[nH]n3)n2)cc1

InChI Key: InChIKey=JEASYUIWLMGSRF-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50004214   
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))
BDBM50004214
PNG
(CHEMBL3237179)
Show SMILES COC(=O)c1ccc(Nc2nc(NCCN3CCOCC3)cc(Nc3cc(C)[nH]n3)n2)cc1
Show InChI InChI=1S/C22H28N8O3/c1-15-13-20(29-28-15)25-19-14-18(23-7-8-30-9-11-33-12-10-30)26-22(27-19)24-17-5-3-16(4-6-17)21(31)32-2/h3-6,13-14H,7-12H2,1-2H3,(H4,23,24,25,26,27,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 72n/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