BDBM50401455 CHEMBL2204549

SMILES: O=c1nc(oc2cc(OCc3ccccn3)ccc12)N(Cc1ccccn1)c1cccnc1

InChI Key: InChIKey=IHKSBFHRMOMXFW-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 = 50401455   

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))	BDBM50401455 (CHEMBL2204549) Show SMILES O=c1nc(oc2cc(OCc3ccccn3)ccc12)N(Cc1ccccn1)c1cccnc1 Show InChI InChI=1S/C25H19N5O3/c31-24-22-10-9-21(32-17-19-7-2-4-13-28-19)14-23(22)33-25(29-24)30(20-8-5-11-26-15-20)16-18-6-1-3-12-27-18/h1-15H,16-17H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.70E+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