Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Receptor-interacting serine/threonine-protein kinase 3' and Ligand = 'BDBM392985'   

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
Receptor-interacting serine/threonine-protein kinase 3 (Homo sapiens (Human))	BDBM392985 (US10301306, Example 183) Show SMILES COc1cnccc1-c1c(c2c(CCNC2=O)n1Cc1cc(C)nn1C)-c1ccc(F)cc1 |(-2.87,-4.05,;-2.1,-2.72,;-2.87,-1.39,;-4.41,-1.39,;-5.18,-.05,;-4.41,1.28,;-2.87,1.28,;-2.1,-.05,;-.56,-.05,;.34,1.19,;1.81,.72,;1.81,-.82,;3.14,-1.59,;4.47,-.82,;4.47,.72,;3.14,1.49,;3.14,3.03,;.34,-1.3,;-.06,-2.79,;1.03,-3.88,;2.56,-3.71,;3.19,-5.12,;4.7,-5.44,;2.05,-6.15,;.71,-5.38,;-.69,-6.01,;-.06,2.68,;1.03,3.77,;.63,5.26,;-.85,5.66,;-1.25,7.14,;-1.94,4.57,;-1.54,3.08,)| Show InChI InChI=1S/C25H24FN5O2/c1-15-12-18(30(2)29-15)14-31-20-9-11-28-25(32)23(20)22(16-4-6-17(26)7-5-16)24(31)19-8-10-27-13-21(19)33-3/h4-8,10,12-13H,9,11,14H2,1-3H3,(H,28,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<30	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The assays were performed in black 1536-well plates. The final assay volume of 2 μl contained a mixture of a fluorescently labeled HTRF probe, T...				Bioorg Med Chem Lett 18: 5018-22 (2008) BindingDB Entry DOI: 10.7270/Q2M90C19
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