Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase mTOR' and Ligand = 'BDBM50308788'   

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))	BDBM50308788 (CHEMBL590587 | N-[2-(Dimethylamino)ethyl]-4-({[4-(...) Show SMILES CCn1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)C(=O)NCCN(C)C)cc1)N1CCOCC1 Show InChI InChI=1S/C28H34N10O3/c1-4-38-26-23(34-35-38)25(37-15-17-41-18-16-37)32-24(33-26)19-5-9-21(10-6-19)30-28(40)31-22-11-7-20(8-12-22)27(39)29-13-14-36(2)3/h5-12H,4,13-18H2,1-3H3,(H,29,39)(H2,30,31,40)	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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of mTOR by DELFIA				J Med Chem 53: 798-810 (2010) Article DOI: 10.1021/jm9014982 BindingDB Entry DOI: 10.7270/Q2NZ87RZ
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