Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase mTOR [1360-2549]' and Ligand = 'BDBM251608'   

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
Serine/threonine-protein kinase mTOR [1360-2549] (Homo sapiens (Human))	BDBM251608 (US9453031, 31) Show SMILES CNc1nc2ccccc2n1-c1nc2N3CCOCC3CCOc2c(n1)C(C)(C)S(C)(=O)=O |@:14,@@:26| Show InChI InChI=1S/C22H28N6O4S/c1-22(2,33(4,29)30)18-17-19(27-10-12-31-13-14(27)9-11-32-17)26-21(25-18)28-16-8-6-5-7-15(16)24-20(28)23-3/h5-8,14H,9-13H2,1-4H3,(H,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	586	n/a	n/a	n/a	n/a	7.5	25
Fundación Centro Nacional de Investigaciones Oncológicas Carlos III US Patent					Assay Description The enzymatic mTOR activity was measured using a LanthaScreen kinase activity assay (Invitrogen). The enzyme was purchased from Invitrogen (PV4754), ...				US Patent US9453031 (2016) BindingDB Entry DOI: 10.7270/Q27H1HH8
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