Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase mTOR' and Ligand = 'BDBM50431521'   

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))	BDBM50431521 (CHEMBL2348864) Show SMILES O=C1CN(CCC2CCOCC2)c2nc(cnc2N1)-c1ccc(cc1)-c1nnc[nH]1 Show InChI InChI=1S/C21H23N7O2/c29-18-12-28(8-5-14-6-9-30-10-7-14)21-20(26-18)22-11-17(25-21)15-1-3-16(4-2-15)19-23-13-24-27-19/h1-4,11,13-14H,5-10,12H2,(H,22,26,29)(H,23,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Corporation Curated by ChEMBL					Assay Description Inhibition of mTOR (unknown origin) by HTR-FRET substrate phosphorylation assay				J Med Chem 58: 5323-33 (2015) Article DOI: 10.1021/acs.jmedchem.5b00626 BindingDB Entry DOI: 10.7270/Q208672F
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50431521 (CHEMBL2348864) Show SMILES O=C1CN(CCC2CCOCC2)c2nc(cnc2N1)-c1ccc(cc1)-c1nnc[nH]1 Show InChI InChI=1S/C21H23N7O2/c29-18-12-28(8-5-14-6-9-30-10-7-14)21-20(26-18)22-11-17(25-21)15-1-3-16(4-2-15)19-23-13-24-27-19/h1-4,11,13-14H,5-10,12H2,(H,22,26,29)(H,23,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Corporation Curated by ChEMBL					Assay Description Inhibition of recombinant mTOR (unknown origin) using GST-p70S6 as substrate after 60 mins by TR-FRET analysis				Bioorg Med Chem Lett 23: 1588-91 (2013) Article DOI: 10.1016/j.bmcl.2013.01.110 BindingDB Entry DOI: 10.7270/Q21N82GM
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50431521 (CHEMBL2348864) Show SMILES O=C1CN(CCC2CCOCC2)c2nc(cnc2N1)-c1ccc(cc1)-c1nnc[nH]1 Show InChI InChI=1S/C21H23N7O2/c29-18-12-28(8-5-14-6-9-30-10-7-14)21-20(26-18)22-11-17(25-21)15-1-3-16(4-2-15)19-23-13-24-27-19/h1-4,11,13-14H,5-10,12H2,(H,22,26,29)(H,23,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114498 BindingDB Entry DOI: 10.7270/Q2ZG6XB2
					More data for this Ligand-Target Pair