BDBM50144961 CHEMBL3764983

SMILES: COc1cc2ncnc(-n3nc(nc3N)-c3ccccn3)c2cc1OCCCNC(=O)CN1C[C@H](C)O[C@H](C)C1

InChI Key: InChIKey=ZNVWSOUYDWFMGB-HDICACEKSA-N

Data: 1 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50144961   

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))	BDBM50144961 (CHEMBL3764983) Show SMILES COc1cc2ncnc(-n3nc(nc3N)-c3ccccn3)c2cc1OCCCNC(=O)CN1C[C@H](C)O[C@H](C)C1 |r| Show InChI InChI=1S/C27H33N9O4/c1-17-13-35(14-18(2)40-17)15-24(37)30-9-6-10-39-23-11-19-21(12-22(23)38-3)31-16-32-26(19)36-27(28)33-25(34-36)20-7-4-5-8-29-20/h4-5,7-8,11-12,16-18H,6,9-10,13-15H2,1-3H3,(H,30,37)(H2,28,33,34)/t17-,18+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.70E+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
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