Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase ATR' and Ligand = 'BDBM268046'   

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))	BDBM268046 (2-[(3R)-3-methylmorpholin-4-yl]-4-(2-methyl-1,3-th...) Show SMILES C[C@@H]1COCCN1c1cc(-c2cnc(C)s2)c2ccnc(-c3ccnn3C3CCCCO3)c2n1 |r| Show InChI InChI=1S/C25H28N6O2S/c1-16-15-32-12-10-30(16)22-13-19(21-14-27-17(2)34-21)18-6-8-26-25(24(18)29-22)20-7-9-28-31(20)23-5-3-4-11-33-23/h6-9,13-14,16,23H,3-5,10-12,15H2,1-2H3/t16-,23?/m1/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	7.0	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description To determine of binding activity of the test compounds, full-length human ATR protein was expressed and purified together with ATRIP as described abo...				US Patent US9549932 (2017) BindingDB Entry DOI: 10.7270/Q27S7QSC
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