Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase mTOR' and Ligand = 'BDBM50451425'   

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 (Homo sapiens (Human))	BDBM50451425 (CHEMBL4212439) Show SMILES CS(=O)(=O)N1CCN(Cc2cc3c(nc(cn3n2)-c2cnc(N)nc2)N2CCOCC2)CC1 Show InChI InChI=1S/C20H27N9O3S/c1-33(30,31)28-4-2-26(3-5-28)13-16-10-18-19(27-6-8-32-9-7-27)24-17(14-29(18)25-16)15-11-22-20(21)23-12-15/h10-12,14H,2-9,13H2,1H3,(H2,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged mTOR catalytic domain (1360 to 2549 residues) expressed in baculovirus expression system by AlexaFluor647-...				Bioorg Med Chem Lett 27: 4794-4799 (2017) Article DOI: 10.1016/j.bmcl.2017.09.059 BindingDB Entry DOI: 10.7270/Q2F76G4X
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