Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase ATR' and Ligand = 'BDBM50459001'   

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))	BDBM50459001 (CHEMBL4205675) Show SMILES CNC(=O)c1nnc2ccc(cc2c1N[C@@H](C)C1CCOCC1)-c1ccc(OCCN(C)C)nc1 |r| Show InChI InChI=1S/C26H34N6O3/c1-17(18-9-12-34-13-10-18)29-24-21-15-19(5-7-22(21)30-31-25(24)26(33)27-2)20-6-8-23(28-16-20)35-14-11-32(3)4/h5-8,15-18H,9-14H2,1-4H3,(H,27,33)(H,29,30)/t17-/m0/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+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 measured after 1 hr by Hoechst 33258 staining based fluorescence assay				ACS Med Chem Lett 9: 809-814 (2018) Article DOI: 10.1021/acsmedchemlett.8b00200 BindingDB Entry DOI: 10.7270/Q27D2XRQ
					More data for this Ligand-Target Pair