Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ribosomal protein S6 kinase beta-1 [T412E]' and Ligand = 'BDBM224347'   

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
Ribosomal protein S6 kinase beta-1 [T412E] (Homo sapiens (Human))	BDBM224347 (US10080750, Compound 24 | US9321760, 24 | US966233...) Show SMILES NCC(N1CCN(CC1)c1ncnc(N)c1C1=CCCCC1)c1ccc(cc1)C(F)(F)F |t:18| Show InChI InChI=1S/C23H29F3N6/c24-23(25,26)18-8-6-16(7-9-18)19(14-27)31-10-12-32(13-11-31)22-20(21(28)29-15-30-22)17-4-2-1-3-5-17/h4,6-9,15,19H,1-3,5,10-14,27H2,(H2,28,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.30	n/a	n/a	n/a	n/a	7.5	n/a
Merck Patent GmbH US Patent					Assay Description P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...				US Patent US10080750 (2018) BindingDB Entry DOI: 10.7270/Q2WS8W9F
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