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SMILES: O=C(CNCCN1CCOCC1)Nc1ccc(-c2cccc3c2oc(cc3=O)N2CCOCC2)c2sc3ccccc3c12

InChI Key: InChIKey=QNKOBOYSDAEFCK-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50439905   
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))		BDBM50439905
PNG
(CHEMBL2420435)
Show SMILES O=C(CNCCN1CCOCC1)Nc1ccc(-c2cccc3c2oc(cc3=O)N2CCOCC2)c2sc3ccccc3c12
Show InChI InChI=1S/C33H34N4O5S/c38-27-20-30(37-14-18-41-19-15-37)42-32-22(5-3-6-24(27)32)23-8-9-26(31-25-4-1-2-7-28(25)43-33(23)31)35-29(39)21-34-10-11-36-12-16-40-17-13-36/h1-9,20,34H,10-19,21H2,(H,35,39)
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Similars
Article
PubMed
n/an/a 12n/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