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BDBM50401470 CHEMBL244253

SMILES: CN1CCN(CCOc2ccc3c(c2)oc(nc3=O)N2CCOCC2)CC1

InChI Key: InChIKey=BDFPELHCCPJTFK-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50401470   
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))
BDBM50401470
PNG
(CHEMBL244253)
Show SMILES CN1CCN(CCOc2ccc3c(c2)oc(nc3=O)N2CCOCC2)CC1
Show InChI InChI=1S/C19H26N4O4/c1-21-4-6-22(7-5-21)8-13-26-15-2-3-16-17(14-15)27-19(20-18(16)24)23-9-11-25-12-10-23/h2-3,14H,4-13H2,1H3
PDB

KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.80E+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