Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Eukaryotic translation initiation factor 2-alpha kinase 3' and Ligand = 'BDBM102229'   

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
Eukaryotic translation initiation factor 2-alpha kinase 3 (Homo sapiens (Human))	BDBM102229 (US9695165, 23) Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1cc2cnc(cc2n(C)c1=O)-c1cc(NC(=O)C=C)ccc1F |(-2,10.01,;-2,8.47,;-.67,7.7,;.67,8.47,;2,7.7,;3.33,8.47,;4.67,7.7,;2,6.16,;3.33,5.39,;.67,5.39,;-.67,6.16,;-2,5.39,;.67,3.85,;-.67,3.08,;-.67,1.54,;-2,.77,;-2,-.77,;-.67,-1.54,;.67,-.77,;.67,.77,;2,1.54,;3.33,.77,;2,3.08,;3.33,3.85,;-.67,-3.08,;-2,-3.85,;-2,-5.39,;-3.33,-6.16,;-3.33,-7.7,;-2,-8.47,;-4.67,-8.47,;-4.67,-10.01,;-.67,-6.16,;.67,-5.39,;.67,-3.85,;2,-3.08,)| Show InChI InChI=1S/C26H20Cl2FN3O4/c1-5-22(33)31-14-6-7-17(29)15(9-14)18-10-19-13(12-30-18)8-16(26(34)32(19)2)23-24(27)20(35-3)11-21(36-4)25(23)28/h5-12H,1H2,2-4H3,(H,31,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
BLUEPRINT MEDICINES CORPORATION US Patent					Assay Description MDA-MB453 cells were plated in 96-well cell culture plates at a density of 1x105 cells. Cells were allowed to attach, and growth media was replaced w...				US Patent US9695165 (2017) BindingDB Entry DOI: 10.7270/Q25M67QZ
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