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SMILES: CN(C)CCN(C)CCOc1ccc(-c2cccc3c2oc(cc3=O)N2CCOCC2)c2sc3ccccc3c12

InChI Key: InChIKey=FJLJGDFMQOLGRZ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50439863   
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))		BDBM50439863
PNG
(CHEMBL2420285)
Show SMILES CN(C)CCN(C)CCOc1ccc(-c2cccc3c2oc(cc3=O)N2CCOCC2)c2sc3ccccc3c12
Show InChI InChI=1S/C32H35N3O4S/c1-33(2)13-14-34(3)15-20-38-27-12-11-23(32-30(27)25-7-4-5-10-28(25)40-32)22-8-6-9-24-26(36)21-29(39-31(22)24)35-16-18-37-19-17-35/h4-12,21H,13-20H2,1-3H3
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Similars
Article
PubMed
n/an/a 5n/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