new BindingDB logo
myBDB logout

BDBM50401465 CHEMBL1276683

SMILES: O=c1nc(oc2cc(OCc3cccnc3)ccc12)N1CCOCC1

InChI Key: InChIKey=KUNPNPUUTYJWFM-UHFFFAOYSA-N

Data: 1 IC50

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 = 50401465   
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
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50401465
PNG
(CHEMBL1276683)
Show SMILES O=c1nc(oc2cc(OCc3cccnc3)ccc12)N1CCOCC1
Show InChI InChI=1S/C18H17N3O4/c22-17-15-4-3-14(24-12-13-2-1-5-19-11-13)10-16(15)25-18(20-17)21-6-8-23-9-7-21/h1-5,10-11H,6-9,12H2
PDB

KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.50E+3n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of DNA-PK using EPPLSQEAFADLWKK as substrate after 5 mins by ADP-Glo kinase assay


Eur J Med Chem 57: 85-101 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.035
BindingDB Entry DOI: 10.7270/Q2XS5WK6
More data for this
Ligand-Target Pair