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SMILES: NCCC(=O)Nc1ccc(-c2cccc3c2oc(cc3=O)N2CCOCC2)c2sc3ccccc3c12

InChI Key: InChIKey=ZTRPYBVDSJVCIA-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50439924   
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 catalytic subunit


(Homo sapiens (Human))		BDBM50439924
PNG
(CHEMBL2420294)
Show SMILES NCCC(=O)Nc1ccc(-c2cccc3c2oc(cc3=O)N2CCOCC2)c2sc3ccccc3c12
Show InChI InChI=1S/C28H25N3O4S/c29-11-10-24(33)30-21-9-8-18(28-26(21)20-4-1-2-7-23(20)36-28)17-5-3-6-19-22(32)16-25(35-27(17)19)31-12-14-34-15-13-31/h1-9,16H,10-15,29H2,(H,30,33)
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Similars
Article
PubMed
n/an/a 8n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of human DNA-PK using GST-tagged p53N66 as substrate after 1 hr by ELISA-based chemiluminiscence assay

J Med Chem 56: 6386-401 (2013)


Article DOI: 10.1021/jm400915j
BindingDB Entry DOI: 10.7270/Q2RF5WFD
More data for this
Ligand-Target Pair