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 = 'BDBM224468'   

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))	BDBM224468 (US10080750, Compound 146 | US9321760, 146 | US9662...) Show SMILES Nc1ncnc(N2CCC(CC2)C(OCCN2CCCC2)c2ccc(F)cc2)c1-c1ccc(F)cc1 Show InChI InChI=1S/C28H33F2N5O/c29-23-7-3-20(4-8-23)25-27(31)32-19-33-28(25)35-15-11-22(12-16-35)26(21-5-9-24(30)10-6-21)36-18-17-34-13-1-2-14-34/h3-10,19,22,26H,1-2,11-18H2,(H2,31,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	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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