BDBM50401464 CHEMBL1276747

SMILES: O=c1nc(oc2cc(OCc3ccncc3)ccc12)N1CCOCC1

InChI Key: InChIKey=PIDKCJXNOJNYNJ-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 = 50401464   

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))	BDBM50401464 (CHEMBL1276747) Show SMILES O=c1nc(oc2cc(OCc3ccncc3)ccc12)N1CCOCC1 Show InChI InChI=1S/C18H17N3O4/c22-17-15-2-1-14(24-12-13-3-5-19-6-4-13)11-16(15)25-18(20-17)21-7-9-23-10-8-21/h1-6,11H,7-10,12H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
La Trobe University Curated by ChEMBL					Assay Description Inhibition of DNA-PK using EPPLSQEAFADLWKK as substrate after 5 mins by ADP-Glo kinase assay				Eur J Med Chem 57: 85-101 (2012) Article DOI: 10.1016/j.ejmech.2012.08.035 BindingDB Entry DOI: 10.7270/Q2XS5WK6
					More data for this Ligand-Target Pair