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BDBM50401455 CHEMBL2204549

SMILES: O=c1nc(oc2cc(OCc3ccccn3)ccc12)N(Cc1ccccn1)c1cccnc1

InChI Key: InChIKey=IHKSBFHRMOMXFW-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50401455   
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))
BDBM50401455
PNG
(CHEMBL2204549)
Show SMILES O=c1nc(oc2cc(OCc3ccccn3)ccc12)N(Cc1ccccn1)c1cccnc1
Show InChI InChI=1S/C25H19N5O3/c31-24-22-10-9-21(32-17-19-7-2-4-13-28-19)14-23(22)33-25(29-24)30(20-8-5-11-26-15-20)16-18-6-1-3-12-27-18/h1-15H,16-17H2
PDB

KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.70E+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