BDBM50347193 CHEMBL1795745

SMILES: O=c1nc(oc2c3ccccc3c(OCc3ccccn3)cc12)N1CCOCC1

InChI Key: InChIKey=JXWWFVSTCOSXLK-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50347193   

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))	BDBM50347193 (CHEMBL1795745) Show SMILES O=c1nc(oc2c3ccccc3c(OCc3ccccn3)cc12)N1CCOCC1 Show InChI InChI=1S/C22H19N3O4/c26-21-18-13-19(28-14-15-5-3-4-8-23-15)16-6-1-2-7-17(16)20(18)29-22(24-21)25-9-11-27-12-10-25/h1-8,13H,9-12,14H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.43E+3	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