BDBM50144968 CHEMBL3765728

SMILES: COc1cc2ncnc(-n3nc(nc3N)-c3ccccn3)c2cc1OCCN(C(C)C)C(C)C

InChI Key: InChIKey=SMKIYQJARBFROF-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 = 50144968   

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))	BDBM50144968 (CHEMBL3765728) Show SMILES COc1cc2ncnc(-n3nc(nc3N)-c3ccccn3)c2cc1OCCN(C(C)C)C(C)C Show InChI InChI=1S/C24H30N8O2/c1-15(2)31(16(3)4)10-11-34-21-12-17-19(13-20(21)33-5)27-14-28-23(17)32-24(25)29-22(30-32)18-8-6-7-9-26-18/h6-9,12-16H,10-11H2,1-5H3,(H2,25,29,30)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	6.10E+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