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SMILES: O=C(CCNCCN1CCNC1=O)Nc1ccc(-c2cccc3c2oc(cc3=O)N2CCOCC2)c2sc3ccccc3c12

InChI Key: InChIKey=QIVSAWXSVKJSPD-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50439939   
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))		BDBM50439939
PNG
(CHEMBL2420301)
Show SMILES O=C(CCNCCN1CCNC1=O)Nc1ccc(-c2cccc3c2oc(cc3=O)N2CCOCC2)c2sc3ccccc3c12
Show InChI InChI=1S/C33H33N5O5S/c39-26-20-29(37-16-18-42-19-17-37)43-31-21(5-3-6-23(26)31)22-8-9-25(30-24-4-1-2-7-27(24)44-32(22)30)36-28(40)10-11-34-12-14-38-15-13-35-33(38)41/h1-9,20,34H,10-19H2,(H,35,41)(H,36,40)
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Similars
Article
PubMed
n/an/a 6n/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