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SMILES: O=C(CNCCN1CCNC1=O)Nc1ccc(-c2cccc3c2oc(cc3=O)N2CCOCC2)c2sc3ccccc3c12

InChI Key: InChIKey=JUGSKLOJQLWPCZ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50439930   
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))		BDBM50439930
PNG
(CHEMBL2420441)
Show SMILES O=C(CNCCN1CCNC1=O)Nc1ccc(-c2cccc3c2oc(cc3=O)N2CCOCC2)c2sc3ccccc3c12
Show InChI InChI=1S/C32H31N5O5S/c38-25-18-28(36-14-16-41-17-15-36)42-30-20(5-3-6-22(25)30)21-8-9-24(29-23-4-1-2-7-26(23)43-31(21)29)35-27(39)19-33-10-12-37-13-11-34-32(37)40/h1-9,18,33H,10-17,19H2,(H,34,40)(H,35,39)
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Similars
Article
PubMed
n/an/a 7n/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