Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase ATR' and Ligand = 'BDBM50535986'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM50535986 (CHEMBL4531643) Show SMILES NC(=O)c1cnc2ccc(cc2c1NCC1CCOCC1)-c1cccnc1 Show InChI InChI=1S/C21H22N4O2/c22-21(26)18-13-24-19-4-3-15(16-2-1-7-23-12-16)10-17(19)20(18)25-11-14-5-8-27-9-6-14/h1-4,7,10,12-14H,5-6,8-9,11H2,(H2,22,26)(H,24,25)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of ATR in human HT-29 cells assessed as reduction in Chk1 phosphorylation at Ser-345 residue after 60 mins in presence of 4-nitroquinoline...				J Med Chem 59: 6281-92 (2016) Article DOI: 10.1021/acs.jmedchem.6b00519 BindingDB Entry DOI: 10.7270/Q2NV9NR8
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