BDBM50347198 CHEMBL1795750

SMILES: O=c1nc(oc2cc3c(OCc4cccnc4)cccc3cc12)N1CCOCC1

InChI Key: InChIKey=VUPOSOFDZXONOZ-UHFFFAOYSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50347198   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50347198 (CHEMBL1795750) Show SMILES O=c1nc(oc2cc3c(OCc4cccnc4)cccc3cc12)N1CCOCC1 Show InChI InChI=1S/C22H19N3O4/c26-21-18-11-16-4-1-5-19(28-14-15-3-2-6-23-13-15)17(16)12-20(18)29-22(24-21)25-7-9-27-10-8-25/h1-6,11-13H,7-10,14H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
La Trobe University Curated by ChEMBL					Assay Description Inhibition of purified DNA-PK by ADP-Glo Kinase assay				Bioorg Med Chem 19: 3983-94 (2011) Article DOI: 10.1016/j.bmc.2011.05.032 BindingDB Entry DOI: 10.7270/Q20Z73M7
					More data for this Ligand-Target Pair