Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase mTOR' and Ligand = 'BDBM50059642'   

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))	BDBM50059642 (CHEMBL3393593) Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2ccc3n(ccc3c2n1)S(C)(=O)=O Show InChI InChI=1S/C23H24N6O4S/c1-24-23(30)25-16-5-3-15(4-6-16)21-26-20-17-9-10-29(34(2,31)32)19(17)8-7-18(20)22(27-21)28-11-13-33-14-12-28/h3-10H,11-14H2,1-2H3,(H2,24,25,30)	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	2	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital Hradec Kralove Curated by ChEMBL					Assay Description Inhibition of mTOR (unknown origin)				J Med Chem 58: 41-71 (2015) Article DOI: 10.1021/jm501026z BindingDB Entry DOI: 10.7270/Q2P84DJ7
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