BDBM50144975 CHEMBL3763312

SMILES: COc1cc2ncnc(-n3nc(nc3N)-c3ccccn3)c2cc1OCc1ccccc1

InChI Key: InChIKey=LPDBLXWEGVSHTQ-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 = 50144975   

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
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50144975 (CHEMBL3763312) Show SMILES COc1cc2ncnc(-n3nc(nc3N)-c3ccccn3)c2cc1OCc1ccccc1 Show InChI InChI=1S/C23H19N7O2/c1-31-19-12-18-16(11-20(19)32-13-15-7-3-2-4-8-15)22(27-14-26-18)30-23(24)28-21(29-30)17-9-5-6-10-25-17/h2-12,14H,13H2,1H3,(H2,24,28,29)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duke University School of Medicine Curated by ChEMBL					Assay Description Inhibition of ATM kinase in human MCF7 cells after 1 hr by immunofluorescence assay				J Med Chem 59: 559-77 (2016) BindingDB Entry DOI: 10.7270/Q2TM7D0W
					More data for this Ligand-Target Pair