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SMILES: C[C@H]1CN(CC(=O)Nc2ccc(-c3cccc4c3oc(cc4=O)N3CCOCC3)c3sc4ccccc4c23)C[C@@H](C)O1

InChI Key: InChIKey=GAOKFSLWKGQHNR-OYRHEFFESA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50439870   
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))		BDBM50439870
PNG
(CHEMBL2420439)
Show SMILES C[C@H]1CN(CC(=O)Nc2ccc(-c3cccc4c3oc(cc4=O)N3CCOCC3)c3sc4ccccc4c23)C[C@@H](C)O1 |r|
Show InChI InChI=1S/C33H33N3O5S/c1-20-17-35(18-21(2)40-20)19-29(38)34-26-11-10-23(33-31(26)25-6-3-4-9-28(25)42-33)22-7-5-8-24-27(37)16-30(41-32(22)24)36-12-14-39-15-13-36/h3-11,16,20-21H,12-15,17-19H2,1-2H3,(H,34,38)/t20-,21+
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Similars
Article
PubMed
n/an/a 4n/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