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 = 'BDBM224336'   

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))	BDBM224336 (US10080750, Compound 13 | US9321760, 13 | US966233...) Show SMILES Nc1ncnc(N2CCN(Cc3ccc(cc3)C(F)(F)F)CC2)c1-c1ccc(F)cc1 Show InChI InChI=1S/C22H21F4N5/c23-18-7-3-16(4-8-18)19-20(27)28-14-29-21(19)31-11-9-30(10-12-31)13-15-1-5-17(6-2-15)22(24,25)26/h1-8,14H,9-13H2,(H2,27,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.20	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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