Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase mTOR' and Ligand = 'BDBM50314334'   

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))	BDBM50314334 ((Z)-N-benzyl-N-methyl-1-(1-methyl-3-((3-oxo-5-(3-p...) Show SMILES CN(Cc1ccccc1)C(=O)C1CCN(CC1)c1ccnc2n(C)cc(\C=C3/Oc4ccc(NC(=O)Nc5cccnc5)cc4C3=O)c12 Show InChI InChI=1S/C37H35N7O4/c1-42-23-26(19-32-34(45)29-20-27(10-11-31(29)48-32)40-37(47)41-28-9-6-15-38-21-28)33-30(12-16-39-35(33)42)44-17-13-25(14-18-44)36(46)43(2)22-24-7-4-3-5-8-24/h3-12,15-16,19-21,23,25H,13-14,17-18,22H2,1-2H3,(H2,40,41,47)/b32-19-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	103	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of mTOR				Bioorg Med Chem Lett 20: 2259-63 (2010) Article DOI: 10.1016/j.bmcl.2010.02.012 BindingDB Entry DOI: 10.7270/Q2TB1717
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