Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase mTOR' and Ligand = 'BDBM50328603'   

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 (Mus musculus (Mouse))	BDBM50328603 (1-(4-(4-(cyclopropanecarbonyl)piperazin-1-yl)-3-(t...) Show SMILES FC(F)(F)c1cc(ccc1N1CCN(CC1)C(=O)C1CC1)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnc2ccccc2c1 Show InChI InChI=1S/C36H28F3N5O2/c37-36(38,39)29-19-27(9-11-32(29)42-13-15-43(16-14-42)35(46)22-5-6-22)44-33(45)12-8-25-20-41-31-10-7-23(18-28(31)34(25)44)26-17-24-3-1-2-4-30(24)40-21-26/h1-4,7-12,17-22H,5-6,13-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Dana Farber Cancer Institute Curated by ChEMBL					Assay Description Inhibition of mTOR in p53-deficient MEF assessed as phosphorylation of S6K1 at Thr389 by immunoblotting				J Med Chem 53: 7146-55 (2010) Article DOI: 10.1021/jm101144f BindingDB Entry DOI: 10.7270/Q2M32W0R
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50328603 (1-(4-(4-(cyclopropanecarbonyl)piperazin-1-yl)-3-(t...) Show SMILES FC(F)(F)c1cc(ccc1N1CCN(CC1)C(=O)C1CC1)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnc2ccccc2c1 Show InChI InChI=1S/C36H28F3N5O2/c37-36(38,39)29-19-27(9-11-32(29)42-13-15-43(16-14-42)35(46)22-5-6-22)44-33(45)12-8-25-20-41-31-10-7-23(18-28(31)34(25)44)26-17-24-3-1-2-4-30(24)40-21-26/h1-4,7-12,17-22H,5-6,13-16H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
Dana Farber Cancer Institute Curated by ChEMBL					Assay Description Inhibition of human mTOR complex 1 after 30 mins by FRET assay				J Med Chem 53: 7146-55 (2010) Article DOI: 10.1021/jm101144f BindingDB Entry DOI: 10.7270/Q2M32W0R
					More data for this Ligand-Target Pair