BindingDB logo
myBDB logout

null

SMILES: O=C(Nc1ccccc1)Nc1ccc(CCNc2ncnc3oc(cc23)-c2ccc(OCCN3CCOCC3)cc2)cc1

InChI Key: InChIKey=RYRNCJFZRJMLKN-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 = 50436692   
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))		BDBM50436692
PNG
(CHEMBL2398640)
Show SMILES O=C(Nc1ccccc1)Nc1ccc(CCNc2ncnc3oc(cc23)-c2ccc(OCCN3CCOCC3)cc2)cc1
Show InChI InChI=1S/C33H34N6O4/c40-33(37-26-4-2-1-3-5-26)38-27-10-6-24(7-11-27)14-15-34-31-29-22-30(43-32(29)36-23-35-31)25-8-12-28(13-9-25)42-21-18-39-16-19-41-20-17-39/h1-13,22-23H,14-21H2,(H,34,35,36)(H2,37,38,40)
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 50n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Aurora kinase A catalytic domain (123 to 401 amino acids) (unknown origin) expressed in sf9 cells using tetra(LRRWSLG) as su...

J Med Chem 56: 5247-60 (2014)


Article DOI: 10.1021/jm4006059
BindingDB Entry DOI: 10.7270/Q2J104K6
More data for this
Ligand-Target Pair