Compile Data Set for Download or QSAR

Found 455 hits with Last Name = 'langlois' and Initial = 'jb'   

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))	BDBM50505407 (CHEMBL4436124) Show SMILES [H][C@]12Cc3c(nc(nc3N3CCOC[C@H]3C)-c3cnc(N)nc3)N1CCOC2 |r| Show InChI InChI=1S/C18H23N7O2/c1-11-9-26-4-2-24(11)16-14-6-13-10-27-5-3-25(13)17(14)23-15(22-16)12-7-20-18(19)21-8-12/h7-8,11,13H,2-6,9-10H2,1H3,(H2,19,20,21)/t11-,13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibition of alexa fluor 647-labeled kinase tracer 314 binding to recombinant human N-terminal GST-fused mTOR (1360 to 2549 residues) expressed in b...				J Med Chem 62: 8609-8630 (2019) Article DOI: 10.1021/acs.jmedchem.9b00972 BindingDB Entry DOI: 10.7270/Q2DJ5JW1
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50469484 (CHEMBL4279881) Show SMILES Nc1cc(C(F)F)c(cn1)-c1nc(nc(n1)N1CC2CCC(C1)O2)N1CCOCC1 Show InChI InChI=1S/C19H23F2N7O2/c20-16(21)13-7-15(22)23-8-14(13)17-24-18(27-3-5-29-6-4-27)26-19(25-17)28-9-11-1-2-12(10-28)30-11/h7-8,11-12,16H,1-6,9-10H2,(H2,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Binding affinity to recombinant human GST-tagged mTOR catalytic domain (1360 to 2549 residues) expressed in baculovirus after 1 hr by TR-FRET displac...				J Med Chem 61: 10084-10105 (2018) Article DOI: 10.1021/acs.jmedchem.8b01262 BindingDB Entry DOI: 10.7270/Q2X92F07
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50469481 (CHEMBL4277247) Show SMILES C[C@H]1COC[C@@H](C)N1c1nc(nc(n1)-c1cnc(N)cc1C(F)F)N1[C@@H](C)COC[C@H]1C |r| Show InChI InChI=1S/C21H29F2N7O2/c1-11-7-31-8-12(2)29(11)20-26-19(16-6-25-17(24)5-15(16)18(22)23)27-21(28-20)30-13(3)9-32-10-14(30)4/h5-6,11-14,18H,7-10H2,1-4H3,(H2,24,25)/t11-,12+,13-,14+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Binding affinity to recombinant human GST-tagged mTOR catalytic domain (1360 to 2549 residues) expressed in baculovirus after 1 hr by TR-FRET displac...				J Med Chem 61: 10084-10105 (2018) Article DOI: 10.1021/acs.jmedchem.8b01262 BindingDB Entry DOI: 10.7270/Q2X92F07
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50469473 (CHEMBL4280087) Show SMILES Nc1cc(C(F)F)c(cn1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C17H21F2N7O2/c18-14(19)11-9-13(20)21-10-12(11)15-22-16(25-1-5-27-6-2-25)24-17(23-15)26-3-7-28-8-4-26/h9-10,14H,1-8H2,(H2,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Binding affinity to recombinant human GST-tagged mTOR catalytic domain (1360 to 2549 residues) expressed in baculovirus after 1 hr by TR-FRET displac...				J Med Chem 61: 10084-10105 (2018) Article DOI: 10.1021/acs.jmedchem.8b01262 BindingDB Entry DOI: 10.7270/Q2X92F07
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50505410 (CHEMBL4551080) Show SMILES [H][C@]12Cc3c(nc(nc3N3CCOC[C@H]3C)-c3cnc(N)cn3)N1CCOC2 |r| Show InChI InChI=1S/C18H23N7O2/c1-11-9-26-4-2-24(11)17-13-6-12-10-27-5-3-25(12)18(13)23-16(22-17)14-7-21-15(19)8-20-14/h7-8,11-12H,2-6,9-10H2,1H3,(H2,19,21)/t11-,12-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibition of alexa fluor 647-labeled kinase tracer 314 binding to recombinant human N-terminal GST-fused mTOR (1360 to 2549 residues) expressed in b...				J Med Chem 62: 8609-8630 (2019) Article DOI: 10.1021/acs.jmedchem.9b00972 BindingDB Entry DOI: 10.7270/Q2DJ5JW1
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50505421 (CHEMBL4458426) Show SMILES [H][C@]12Cc3c(nc(nc3N3CCOC[C@@H]3C)-c3ccc(N)nc3)N1CCOC2 |r| Show InChI InChI=1S/C19H24N6O2/c1-12-10-26-6-4-24(12)18-15-8-14-11-27-7-5-25(14)19(15)23-17(22-18)13-2-3-16(20)21-9-13/h2-3,9,12,14H,4-8,10-11H2,1H3,(H2,20,21)/t12-,14+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibition of alexa fluor 647-labeled kinase tracer 314 binding to recombinant human N-terminal GST-fused mTOR (1360 to 2549 residues) expressed in b...				J Med Chem 62: 8609-8630 (2019) Article DOI: 10.1021/acs.jmedchem.9b00972 BindingDB Entry DOI: 10.7270/Q2DJ5JW1
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50469476 (CHEMBL4287799) Show SMILES C[C@@H]1COCCN1c1nc(nc(n1)-c1cnc(N)cc1C(F)F)N1CCOCC1 |r| Show InChI InChI=1S/C18H23F2N7O2/c1-11-10-29-7-4-27(11)18-24-16(13-9-22-14(21)8-12(13)15(19)20)23-17(25-18)26-2-5-28-6-3-26/h8-9,11,15H,2-7,10H2,1H3,(H2,21,22)/t11-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	9.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Binding affinity to recombinant human GST-tagged mTOR catalytic domain (1360 to 2549 residues) expressed in baculovirus after 1 hr by TR-FRET displac...				J Med Chem 61: 10084-10105 (2018) Article DOI: 10.1021/acs.jmedchem.8b01262 BindingDB Entry DOI: 10.7270/Q2X92F07
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50469457 (CHEMBL4286698) Show SMILES Nc1cc(C(F)F)c(cn1)-c1nc(nc(n1)N1C2CCC1COC2)N1C2CCC1COC2 Show InChI InChI=1S/C21H25F2N7O2/c22-18(23)15-5-17(24)25-6-16(15)19-26-20(29-11-1-2-12(29)8-31-7-11)28-21(27-19)30-13-3-4-14(30)10-32-9-13/h5-6,11-14,18H,1-4,7-10H2,(H2,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Binding affinity to recombinant human GST-tagged mTOR catalytic domain (1360 to 2549 residues) expressed in baculovirus after 1 hr by TR-FRET displac...				J Med Chem 61: 10084-10105 (2018) Article DOI: 10.1021/acs.jmedchem.8b01262 BindingDB Entry DOI: 10.7270/Q2X92F07
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50469454 (CHEMBL4279445) Show SMILES Nc1cc(C(F)F)c(cn1)-c1nc(nc(n1)N1CCOCC1)N1C2CCC1COC2 Show InChI InChI=1S/C19H23F2N7O2/c20-16(21)13-7-15(22)23-8-14(13)17-24-18(27-3-5-29-6-4-27)26-19(25-17)28-11-1-2-12(28)10-30-9-11/h7-8,11-12,16H,1-6,9-10H2,(H2,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Binding affinity to recombinant human GST-tagged mTOR catalytic domain (1360 to 2549 residues) expressed in baculovirus after 1 hr by TR-FRET displac...				J Med Chem 61: 10084-10105 (2018) Article DOI: 10.1021/acs.jmedchem.8b01262 BindingDB Entry DOI: 10.7270/Q2X92F07
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50469457 (CHEMBL4286698) Show SMILES Nc1cc(C(F)F)c(cn1)-c1nc(nc(n1)N1C2CCC1COC2)N1C2CCC1COC2 Show InChI InChI=1S/C21H25F2N7O2/c22-18(23)15-5-17(24)25-6-16(15)19-26-20(29-11-1-2-12(29)8-31-7-11)28-21(27-19)30-13-3-4-14(30)10-32-9-13/h5-6,11-14,18H,1-4,7-10H2,(H2,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibition of alexa fluor 647-labeled kinase tracer 314 binding to recombinant human N-terminal GST-fused mTOR (1360 to 2549 residues) expressed in b...				J Med Chem 62: 8609-8630 (2019) Article DOI: 10.1021/acs.jmedchem.9b00972 BindingDB Entry DOI: 10.7270/Q2DJ5JW1
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50469473 (CHEMBL4280087) Show SMILES Nc1cc(C(F)F)c(cn1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C17H21F2N7O2/c18-14(19)11-9-13(20)21-10-12(11)15-22-16(25-1-5-27-6-2-25)24-17(23-15)26-3-7-28-8-4-26/h9-10,14H,1-8H2,(H2,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Binding affinity to recombinant N-terminal His6-tagged P110alpha catalytic domain (unknown origin) after 1 hr by TR-FRET displacement assay				J Med Chem 61: 10084-10105 (2018) Article DOI: 10.1021/acs.jmedchem.8b01262 BindingDB Entry DOI: 10.7270/Q2X92F07
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50469468 (CHEMBL4277797) Show SMILES Nc1cc(C(F)F)c(cn1)-c1cc(nc(n1)N1C2CCC1COC2)N1C2CCC1COC2 Show InChI InChI=1S/C22H26F2N6O2/c23-21(24)16-5-19(25)26-7-17(16)18-6-20(29-12-1-2-13(29)9-31-8-12)28-22(27-18)30-14-3-4-15(30)11-32-10-14/h5-7,12-15,21H,1-4,8-11H2,(H2,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Binding affinity to recombinant human GST-tagged mTOR catalytic domain (1360 to 2549 residues) expressed in baculovirus after 1 hr by TR-FRET displac...				J Med Chem 61: 10084-10105 (2018) Article DOI: 10.1021/acs.jmedchem.8b01262 BindingDB Entry DOI: 10.7270/Q2X92F07
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50505414 (CHEMBL4594206) Show SMILES [H][C@]12Cc3c(nc(nc3N3CCOC[C@H]3C)-c3ccc(N)nc3)N1CCOC2 |r| Show InChI InChI=1S/C19H24N6O2/c1-12-10-26-6-4-24(12)18-15-8-14-11-27-7-5-25(14)19(15)23-17(22-18)13-2-3-16(20)21-9-13/h2-3,9,12,14H,4-8,10-11H2,1H3,(H2,20,21)/t12-,14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibition of alexa fluor 647-labeled kinase tracer 314 binding to recombinant human N-terminal GST-fused mTOR (1360 to 2549 residues) expressed in b...				J Med Chem 62: 8609-8630 (2019) Article DOI: 10.1021/acs.jmedchem.9b00972 BindingDB Entry DOI: 10.7270/Q2DJ5JW1
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50469477 (CHEMBL4290128) Show SMILES C[C@@H]1COCCN1c1nc(nc(n1)-c1cnc(N)cc1C(F)F)N1CCOC[C@H]1C |r| Show InChI InChI=1S/C19H25F2N7O2/c1-11-9-29-5-3-27(11)18-24-17(14-8-23-15(22)7-13(14)16(20)21)25-19(26-18)28-4-6-30-10-12(28)2/h7-8,11-12,16H,3-6,9-10H2,1-2H3,(H2,22,23)/t11-,12-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Binding affinity to recombinant human GST-tagged mTOR catalytic domain (1360 to 2549 residues) expressed in baculovirus after 1 hr by TR-FRET displac...				J Med Chem 61: 10084-10105 (2018) Article DOI: 10.1021/acs.jmedchem.8b01262 BindingDB Entry DOI: 10.7270/Q2X92F07
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50469463 (CHEMBL4281768) Show SMILES CC[C@@H]1COCCN1c1nc(nc(n1)-c1cnc(N)cc1C(F)F)N1CCOC[C@H]1CC |r| Show InChI InChI=1S/C21H29F2N7O2/c1-3-13-11-31-7-5-29(13)20-26-19(16-10-25-17(24)9-15(16)18(22)23)27-21(28-20)30-6-8-32-12-14(30)4-2/h9-10,13-14,18H,3-8,11-12H2,1-2H3,(H2,24,25)/t13-,14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Binding affinity to recombinant human GST-tagged mTOR catalytic domain (1360 to 2549 residues) expressed in baculovirus after 1 hr by TR-FRET displac...				J Med Chem 61: 10084-10105 (2018) Article DOI: 10.1021/acs.jmedchem.8b01262 BindingDB Entry DOI: 10.7270/Q2X92F07
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50469460 (CHEMBL4294600) Show SMILES Nc1cc(C(F)F)c(cn1)-c1nc(nc(n1)N1CC2CCC(C1)O2)N1CC2CCC(C1)O2 Show InChI InChI=1S/C21H25F2N7O2/c22-18(23)15-5-17(24)25-6-16(15)19-26-20(29-7-11-1-2-12(8-29)31-11)28-21(27-19)30-9-13-3-4-14(10-30)32-13/h5-6,11-14,18H,1-4,7-10H2,(H2,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Binding affinity to recombinant human GST-tagged mTOR catalytic domain (1360 to 2549 residues) expressed in baculovirus after 1 hr by TR-FRET displac...				J Med Chem 61: 10084-10105 (2018) Article DOI: 10.1021/acs.jmedchem.8b01262 BindingDB Entry DOI: 10.7270/Q2X92F07
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50240975 (CHEMBL4084907) Show SMILES Nc1cc(c(cn1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1)C(F)(F)F Show InChI InChI=1S/C17H20F3N7O2/c18-17(19,20)12-9-13(21)22-10-11(12)14-23-15(26-1-5-28-6-2-26)25-16(24-14)27-3-7-29-8-4-27/h9-10H,1-8H2,(H2,21,22)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibition of alexa fluor 647-labeled kinase tracer 314 binding to recombinant human full-length N-terminal His6-tagged p110alpha/p85alpha expressed ...				J Med Chem 62: 8609-8630 (2019) Article DOI: 10.1021/acs.jmedchem.9b00972 BindingDB Entry DOI: 10.7270/Q2DJ5JW1
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50469479 (CHEMBL4284651) Show SMILES Nc1cc(C(F)F)c(cn1)-c1cc(nc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C18H22F2N6O2/c19-17(20)12-9-15(21)22-11-13(12)14-10-16(25-1-5-27-6-2-25)24-18(23-14)26-3-7-28-8-4-26/h9-11,17H,1-8H2,(H2,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Binding affinity to recombinant N-terminal His6-tagged P110alpha catalytic domain (unknown origin) after 1 hr by TR-FRET displacement assay				J Med Chem 61: 10084-10105 (2018) Article DOI: 10.1021/acs.jmedchem.8b01262 BindingDB Entry DOI: 10.7270/Q2X92F07
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50469471 (CHEMBL4277562) Show SMILES [H][C@]12CN(c3nc(nc(n3)-c3cnc(N)cc3C(F)F)N3C[C@]4([H])C[C@@]3([H])CO4)[C@]([H])(CO1)C2 |r| Show InChI InChI=1S/C19H21F2N7O2/c20-16(21)13-3-15(22)23-4-14(13)17-24-18(27-5-11-1-9(27)7-29-11)26-19(25-17)28-6-12-2-10(28)8-30-12/h3-4,9-12,16H,1-2,5-8H2,(H2,22,23)/t9-,10-,11-,12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Binding affinity to recombinant human GST-tagged mTOR catalytic domain (1360 to 2549 residues) expressed in baculovirus after 1 hr by TR-FRET displac...				J Med Chem 61: 10084-10105 (2018) Article DOI: 10.1021/acs.jmedchem.8b01262 BindingDB Entry DOI: 10.7270/Q2X92F07
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50380363 (CHEMBL2017974 | US10173995, Compound 1) Show SMILES Nc1cc(c(cn1)-c1cc(nc(n1)N1CCOCC1)N1CCOCC1)C(F)(F)F Show InChI InChI=1S/C18H21F3N6O2/c19-18(20,21)13-9-15(22)23-11-12(13)14-10-16(26-1-5-28-6-2-26)25-17(24-14)27-3-7-29-8-4-27/h9-11H,1-8H2,(H2,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Binding affinity to recombinant N-terminal His6-tagged P110alpha catalytic domain (unknown origin) after 1 hr by TR-FRET displacement assay				J Med Chem 61: 10084-10105 (2018) Article DOI: 10.1021/acs.jmedchem.8b01262 BindingDB Entry DOI: 10.7270/Q2X92F07
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50469476 (CHEMBL4287799) Show SMILES C[C@@H]1COCCN1c1nc(nc(n1)-c1cnc(N)cc1C(F)F)N1CCOCC1 |r| Show InChI InChI=1S/C18H23F2N7O2/c1-11-10-29-7-4-27(11)18-24-16(13-9-22-14(21)8-12(13)15(19)20)23-17(25-18)26-2-5-28-6-3-26/h8-9,11,15H,2-7,10H2,1H3,(H2,21,22)/t11-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Binding affinity to recombinant N-terminal His6-tagged P110alpha catalytic domain (unknown origin) after 1 hr by TR-FRET displacement assay				J Med Chem 61: 10084-10105 (2018) Article DOI: 10.1021/acs.jmedchem.8b01262 BindingDB Entry DOI: 10.7270/Q2X92F07
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM228153 ((S)-5-(4-morpholino-5a,6,8,9-tetrahydro-5H- pyrimi...) Show SMILES Nc1cc(c(cn1)-c1nc2N3CCOC[C@@H]3Cc2c(n1)N1CCOCC1)C(F)(F)F |r| Show InChI InChI=1S/C19H21F3N6O2/c20-19(21,22)14-8-15(23)24-9-13(14)16-25-17(27-1-4-29-5-2-27)12-7-11-10-30-6-3-28(11)18(12)26-16/h8-9,11H,1-7,10H2,(H2,23,24)/t11-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibition of alexa fluor 647-labeled kinase tracer 314 binding to recombinant human full-length N-terminal His6-tagged p110alpha/p85alpha expressed ...				J Med Chem 62: 8609-8630 (2019) Article DOI: 10.1021/acs.jmedchem.9b00972 BindingDB Entry DOI: 10.7270/Q2DJ5JW1
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50469456 (CHEMBL4285600) Show SMILES C[C@H]1COC[C@H](C)N1c1nc(nc(n1)-c1cnc(N)cc1C(F)F)N1[C@@H](C)COC[C@@H]1C |r| Show InChI InChI=1S/C21H29F2N7O2/c1-11-7-31-8-12(2)29(11)20-26-19(16-6-25-17(24)5-15(16)18(22)23)27-21(28-20)30-13(3)9-32-10-14(30)4/h5-6,11-14,18H,7-10H2,1-4H3,(H2,24,25)/t11-,12-,13-,14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Binding affinity to recombinant human GST-tagged mTOR catalytic domain (1360 to 2549 residues) expressed in baculovirus after 1 hr by TR-FRET displac...				J Med Chem 61: 10084-10105 (2018) Article DOI: 10.1021/acs.jmedchem.8b01262 BindingDB Entry DOI: 10.7270/Q2X92F07
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50505429 (CHEMBL4446578) Show SMILES [H][C@@]12Cc3c(nc(nc3N3CCOCC3)-c3cnc(N)cc3C(F)(F)F)N1CCCC2 |r| Show InChI InChI=1S/C20H23F3N6O/c21-20(22,23)15-10-16(24)25-11-14(15)17-26-18(28-5-7-30-8-6-28)13-9-12-3-1-2-4-29(12)19(13)27-17/h10-12H,1-9H2,(H2,24,25)/t12-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibition of alexa fluor 647-labeled kinase tracer 314 binding to recombinant human full-length N-terminal His6-tagged p110alpha/p85alpha expressed ...				J Med Chem 62: 8609-8630 (2019) Article DOI: 10.1021/acs.jmedchem.9b00972 BindingDB Entry DOI: 10.7270/Q2DJ5JW1
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50505419 (CHEMBL4474564) Show SMILES [H][C@]12Cc3c(nc(nc3N3CCOCC3)-c3ccc(N)nc3)N1CCOC2 |r| Show InChI InChI=1S/C18H22N6O2/c19-15-2-1-12(10-20-15)16-21-17(23-3-6-25-7-4-23)14-9-13-11-26-8-5-24(13)18(14)22-16/h1-2,10,13H,3-9,11H2,(H2,19,20)/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibition of alexa fluor 647-labeled kinase tracer 314 binding to recombinant human N-terminal GST-fused mTOR (1360 to 2549 residues) expressed in b...				J Med Chem 62: 8609-8630 (2019) Article DOI: 10.1021/acs.jmedchem.9b00972 BindingDB Entry DOI: 10.7270/Q2DJ5JW1
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50505422 (CHEMBL4562100) Show SMILES [H][C@]12Cc3c(nc(nc3N3CCOCC3(C)C)-c3ccc(N)nc3)N1CCOC2 |r| Show InChI InChI=1S/C20H26N6O2/c1-20(2)12-28-8-6-26(20)19-15-9-14-11-27-7-5-25(14)18(15)23-17(24-19)13-3-4-16(21)22-10-13/h3-4,10,14H,5-9,11-12H2,1-2H3,(H2,21,22)/t14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibition of alexa fluor 647-labeled kinase tracer 314 binding to recombinant human N-terminal GST-fused mTOR (1360 to 2549 residues) expressed in b...				J Med Chem 62: 8609-8630 (2019) Article DOI: 10.1021/acs.jmedchem.9b00972 BindingDB Entry DOI: 10.7270/Q2DJ5JW1
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50469484 (CHEMBL4279881) Show SMILES Nc1cc(C(F)F)c(cn1)-c1nc(nc(n1)N1CC2CCC(C1)O2)N1CCOCC1 Show InChI InChI=1S/C19H23F2N7O2/c20-16(21)13-7-15(22)23-8-14(13)17-24-18(27-3-5-29-6-4-27)26-19(25-17)28-9-11-1-2-12(10-28)30-11/h7-8,11-12,16H,1-6,9-10H2,(H2,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Binding affinity to recombinant N-terminal His6-tagged P110alpha catalytic domain (unknown origin) after 1 hr by TR-FRET displacement assay				J Med Chem 61: 10084-10105 (2018) Article DOI: 10.1021/acs.jmedchem.8b01262 BindingDB Entry DOI: 10.7270/Q2X92F07
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50469454 (CHEMBL4279445) Show SMILES Nc1cc(C(F)F)c(cn1)-c1nc(nc(n1)N1CCOCC1)N1C2CCC1COC2 Show InChI InChI=1S/C19H23F2N7O2/c20-16(21)13-7-15(22)23-8-14(13)17-24-18(27-3-5-29-6-4-27)26-19(25-17)28-11-1-2-12(28)10-30-9-11/h7-8,11-12,16H,1-6,9-10H2,(H2,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Binding affinity to recombinant N-terminal His6-tagged P110alpha catalytic domain (unknown origin) after 1 hr by TR-FRET displacement assay				J Med Chem 61: 10084-10105 (2018) Article DOI: 10.1021/acs.jmedchem.8b01262 BindingDB Entry DOI: 10.7270/Q2X92F07
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50505423 (CHEMBL4458687) Show SMILES [H][C@]12Cc3c(nc(nc3N3CC4CCC(C3)O4)-c3ccc(N)nc3)N1CCOC2 |r| Show InChI InChI=1S/C20H24N6O2/c21-17-4-1-12(8-22-17)18-23-19(25-9-14-2-3-15(10-25)28-14)16-7-13-11-27-6-5-26(13)20(16)24-18/h1,4,8,13-15H,2-3,5-7,9-11H2,(H2,21,22)/t13-,14?,15?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibition of alexa fluor 647-labeled kinase tracer 314 binding to recombinant human N-terminal GST-fused mTOR (1360 to 2549 residues) expressed in b...				J Med Chem 62: 8609-8630 (2019) Article DOI: 10.1021/acs.jmedchem.9b00972 BindingDB Entry DOI: 10.7270/Q2DJ5JW1
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50469483 (CHEMBL4288037) Show SMILES Nc1cc(C(F)F)c(cn1)-c1nc(cc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C18H22F2N6O2/c19-17(20)12-9-14(21)22-11-13(12)18-23-15(25-1-5-27-6-2-25)10-16(24-18)26-3-7-28-8-4-26/h9-11,17H,1-8H2,(H2,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Binding affinity to recombinant N-terminal His6-tagged P110alpha catalytic domain (unknown origin) after 1 hr by TR-FRET displacement assay				J Med Chem 61: 10084-10105 (2018) Article DOI: 10.1021/acs.jmedchem.8b01262 BindingDB Entry DOI: 10.7270/Q2X92F07
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50469467 (CHEMBL4285727) Show SMILES Nc1cc(c(cn1)-c1cc(nc(n1)N1C2CCC1COC2)N1C2CCC1COC2)C(F)(F)F Show InChI InChI=1S/C22H25F3N6O2/c23-22(24,25)17-5-19(26)27-7-16(17)18-6-20(30-12-1-2-13(30)9-32-8-12)29-21(28-18)31-14-3-4-15(31)11-33-10-14/h5-7,12-15H,1-4,8-11H2,(H2,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Binding affinity to recombinant human GST-tagged mTOR catalytic domain (1360 to 2549 residues) expressed in baculovirus after 1 hr by TR-FRET displac...				J Med Chem 61: 10084-10105 (2018) Article DOI: 10.1021/acs.jmedchem.8b01262 BindingDB Entry DOI: 10.7270/Q2X92F07
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50505416 (CHEMBL4574759) Show SMILES [H][C@]12Cc3c(nc(nc3N3C4CCC3COC4)-c3ccc(N)nc3)N1CCOC2 |r| Show InChI InChI=1S/C20H24N6O2/c21-17-4-1-12(8-22-17)18-23-19-16(7-15-11-27-6-5-25(15)19)20(24-18)26-13-2-3-14(26)10-28-9-13/h1,4,8,13-15H,2-3,5-7,9-11H2,(H2,21,22)/t13?,14?,15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibition of alexa fluor 647-labeled kinase tracer 314 binding to recombinant human N-terminal GST-fused mTOR (1360 to 2549 residues) expressed in b...				J Med Chem 62: 8609-8630 (2019) Article DOI: 10.1021/acs.jmedchem.9b00972 BindingDB Entry DOI: 10.7270/Q2DJ5JW1
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50505413 (CHEMBL4555318) Show SMILES [H][C@@]12Cc3c(nc(nc3N3CCOC[C@H]3C)-c3ccc(N)nc3)N1CCOC2 |r| Show InChI InChI=1S/C19H24N6O2/c1-12-10-26-6-4-24(12)18-15-8-14-11-27-7-5-25(14)19(15)23-17(22-18)13-2-3-16(20)21-9-13/h2-3,9,12,14H,4-8,10-11H2,1H3,(H2,20,21)/t12-,14+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibition of alexa fluor 647-labeled kinase tracer 314 binding to recombinant human N-terminal GST-fused mTOR (1360 to 2549 residues) expressed in b...				J Med Chem 62: 8609-8630 (2019) Article DOI: 10.1021/acs.jmedchem.9b00972 BindingDB Entry DOI: 10.7270/Q2DJ5JW1
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50469482 (CHEMBL4278707) Show SMILES Nc1cc(C(F)F)c(cn1)-c1nc(nc(n1)N1C2COCC1COC2)N1C2COCC1COC2 |THB:14:16:22.23.24:18.19.20| Show InChI InChI=1S/C21H25F2N7O4/c22-18(23)15-1-17(24)25-2-16(15)19-26-20(29-11-3-31-5-12(29)6-32-4-11)28-21(27-19)30-13-7-33-9-14(30)10-34-8-13/h1-2,11-14,18H,3-10H2,(H2,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Binding affinity to recombinant human GST-tagged mTOR catalytic domain (1360 to 2549 residues) expressed in baculovirus after 1 hr by TR-FRET displac...				J Med Chem 61: 10084-10105 (2018) Article DOI: 10.1021/acs.jmedchem.8b01262 BindingDB Entry DOI: 10.7270/Q2X92F07
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50469463 (CHEMBL4281768) Show SMILES CC[C@@H]1COCCN1c1nc(nc(n1)-c1cnc(N)cc1C(F)F)N1CCOC[C@H]1CC |r| Show InChI InChI=1S/C21H29F2N7O2/c1-3-13-11-31-7-5-29(13)20-26-19(16-10-25-17(24)9-15(16)18(22)23)27-21(28-20)30-6-8-32-12-14(30)4-2/h9-10,13-14,18H,3-8,11-12H2,1-2H3,(H2,24,25)/t13-,14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Binding affinity to recombinant N-terminal His6-tagged P110alpha catalytic domain (unknown origin) after 1 hr by TR-FRET displacement assay				J Med Chem 61: 10084-10105 (2018) Article DOI: 10.1021/acs.jmedchem.8b01262 BindingDB Entry DOI: 10.7270/Q2X92F07
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50469472 (CHEMBL4278312) Show SMILES Nc1cc(C(F)F)c(cn1)-c1nc(nc(n1)N1CCOCC11CCC1)N1CCOCC11CCC1 Show InChI InChI=1S/C23H29F2N7O2/c24-18(25)15-11-17(26)27-12-16(15)19-28-20(31-7-9-33-13-22(31)3-1-4-22)30-21(29-19)32-8-10-34-14-23(32)5-2-6-23/h11-12,18H,1-10,13-14H2,(H2,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Binding affinity to recombinant human GST-tagged mTOR catalytic domain (1360 to 2549 residues) expressed in baculovirus after 1 hr by TR-FRET displac...				J Med Chem 61: 10084-10105 (2018) Article DOI: 10.1021/acs.jmedchem.8b01262 BindingDB Entry DOI: 10.7270/Q2X92F07
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50505412 (CHEMBL4518075) Show SMILES [H][C@]12Cc3c(nc(nc3N3CCOC[C@H]3C)-c3cnc(N)nc3C(OC)OC)N1CCOC2 |r| Show InChI InChI=1S/C21H29N7O4/c1-12-10-31-6-4-27(12)18-14-8-13-11-32-7-5-28(13)19(14)26-17(25-18)15-9-23-21(22)24-16(15)20(29-2)30-3/h9,12-13,20H,4-8,10-11H2,1-3H3,(H2,22,23,24)/t12-,13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibition of alexa fluor 647-labeled kinase tracer 314 binding to recombinant human N-terminal GST-fused mTOR (1360 to 2549 residues) expressed in b...				J Med Chem 62: 8609-8630 (2019) Article DOI: 10.1021/acs.jmedchem.9b00972 BindingDB Entry DOI: 10.7270/Q2DJ5JW1
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50469479 (CHEMBL4284651) Show SMILES Nc1cc(C(F)F)c(cn1)-c1cc(nc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C18H22F2N6O2/c19-17(20)12-9-15(21)22-11-13(12)14-10-16(25-1-5-27-6-2-25)24-18(23-14)26-3-7-28-8-4-26/h9-11,17H,1-8H2,(H2,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Binding affinity to recombinant human GST-tagged mTOR catalytic domain (1360 to 2549 residues) expressed in baculovirus after 1 hr by TR-FRET displac...				J Med Chem 61: 10084-10105 (2018) Article DOI: 10.1021/acs.jmedchem.8b01262 BindingDB Entry DOI: 10.7270/Q2X92F07
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50469466 (CHEMBL4277399) Show SMILES Nc1cc(c(cn1)-c1nc(cc(n1)N1CCOCC1)N1CCOCC1)C(F)(F)F Show InChI InChI=1S/C18H21F3N6O2/c19-18(20,21)13-9-14(22)23-11-12(13)17-24-15(26-1-5-28-6-2-26)10-16(25-17)27-3-7-29-8-4-27/h9-11H,1-8H2,(H2,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Binding affinity to recombinant N-terminal His6-tagged P110alpha catalytic domain (unknown origin) after 1 hr by TR-FRET displacement assay				J Med Chem 61: 10084-10105 (2018) Article DOI: 10.1021/acs.jmedchem.8b01262 BindingDB Entry DOI: 10.7270/Q2X92F07
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50469483 (CHEMBL4288037) Show SMILES Nc1cc(C(F)F)c(cn1)-c1nc(cc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C18H22F2N6O2/c19-17(20)12-9-14(21)22-11-13(12)18-23-15(25-1-5-27-6-2-25)10-16(24-18)26-3-7-28-8-4-26/h9-11,17H,1-8H2,(H2,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Binding affinity to recombinant human GST-tagged mTOR catalytic domain (1360 to 2549 residues) expressed in baculovirus after 1 hr by TR-FRET displac...				J Med Chem 61: 10084-10105 (2018) Article DOI: 10.1021/acs.jmedchem.8b01262 BindingDB Entry DOI: 10.7270/Q2X92F07
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50505426 (CHEMBL4463962) Show SMILES [H][C@]12Cc3c(nc(nc3N3CCOCC3)-c3cnc(N)cc3C(F)(F)F)N1CCCC2 |r| Show InChI InChI=1S/C20H23F3N6O/c21-20(22,23)15-10-16(24)25-11-14(15)17-26-18(28-5-7-30-8-6-28)13-9-12-3-1-2-4-29(12)19(13)27-17/h10-12H,1-9H2,(H2,24,25)/t12-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibition of alexa fluor 647-labeled kinase tracer 314 binding to recombinant human full-length N-terminal His6-tagged p110alpha/p85alpha expressed ...				J Med Chem 62: 8609-8630 (2019) Article DOI: 10.1021/acs.jmedchem.9b00972 BindingDB Entry DOI: 10.7270/Q2DJ5JW1
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50469474 (CHEMBL4282438) Show SMILES Nc1cc(CF)c(cn1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C17H22FN7O2/c18-10-12-9-14(19)20-11-13(12)15-21-16(24-1-5-26-6-2-24)23-17(22-15)25-3-7-27-8-4-25/h9,11H,1-8,10H2,(H2,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Binding affinity to recombinant human GST-tagged mTOR catalytic domain (1360 to 2549 residues) expressed in baculovirus after 1 hr by TR-FRET displac...				J Med Chem 61: 10084-10105 (2018) Article DOI: 10.1021/acs.jmedchem.8b01262 BindingDB Entry DOI: 10.7270/Q2X92F07
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50505409 (CHEMBL4461914) Show SMILES [H][C@]12Cc3c(nc(nc3N3CCOC[C@H]3C)-c3cnc(N)c(C)c3)N1CCOC2 |r| Show InChI InChI=1S/C20H26N6O2/c1-12-7-14(9-22-17(12)21)18-23-19(25-3-5-27-10-13(25)2)16-8-15-11-28-6-4-26(15)20(16)24-18/h7,9,13,15H,3-6,8,10-11H2,1-2H3,(H2,21,22)/t13-,15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibition of alexa fluor 647-labeled kinase tracer 314 binding to recombinant human N-terminal GST-fused mTOR (1360 to 2549 residues) expressed in b...				J Med Chem 62: 8609-8630 (2019) Article DOI: 10.1021/acs.jmedchem.9b00972 BindingDB Entry DOI: 10.7270/Q2DJ5JW1
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM228130 ((R)-5-(4-morpholino-5a,6,8,9-tetrahydro-5H- pyrimi...) Show SMILES Nc1cc(c(cn1)-c1nc2N3CCOC[C@H]3Cc2c(n1)N1CCOCC1)C(F)(F)F |r| Show InChI InChI=1S/C19H21F3N6O2/c20-19(21,22)14-8-15(23)24-9-13(14)16-25-17(27-1-4-29-5-2-27)12-7-11-10-30-6-3-28(11)18(12)26-16/h8-9,11H,1-7,10H2,(H2,23,24)/t11-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibition of alexa fluor 647-labeled kinase tracer 314 binding to recombinant human full-length N-terminal His6-tagged p110alpha/p85alpha expressed ...				J Med Chem 62: 8609-8630 (2019) Article DOI: 10.1021/acs.jmedchem.9b00972 BindingDB Entry DOI: 10.7270/Q2DJ5JW1
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50505415 (CHEMBL4563892) Show SMILES [H][C@@]12Cc3c(nc(nc3N3C4CCC3COC4)-c3ccc(N)nc3)N1CCOC2 |r| Show InChI InChI=1S/C20H24N6O2/c21-17-4-1-12(8-22-17)18-23-19-16(7-15-11-27-6-5-25(15)19)20(24-18)26-13-2-3-14(26)10-28-9-13/h1,4,8,13-15H,2-3,5-7,9-11H2,(H2,21,22)/t13?,14?,15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibition of alexa fluor 647-labeled kinase tracer 314 binding to recombinant human N-terminal GST-fused mTOR (1360 to 2549 residues) expressed in b...				J Med Chem 62: 8609-8630 (2019) Article DOI: 10.1021/acs.jmedchem.9b00972 BindingDB Entry DOI: 10.7270/Q2DJ5JW1
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50469465 (CHEMBL4286621) Show SMILES Nc1cc(C(F)F)c(cn1)-c1nc(nc(n1)N1C2CCCC1COC2)N1C2CCCC1COC2 |THB:14:16:22.23.24:18.19.20| Show InChI InChI=1S/C23H29F2N7O2/c24-20(25)17-7-19(26)27-8-18(17)21-28-22(31-13-3-1-4-14(31)10-33-9-13)30-23(29-21)32-15-5-2-6-16(32)12-34-11-15/h7-8,13-16,20H,1-6,9-12H2,(H2,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Binding affinity to recombinant human GST-tagged mTOR catalytic domain (1360 to 2549 residues) expressed in baculovirus after 1 hr by TR-FRET displac...				J Med Chem 61: 10084-10105 (2018) Article DOI: 10.1021/acs.jmedchem.8b01262 BindingDB Entry DOI: 10.7270/Q2X92F07
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50469459 (CHEMBL4281245) Show SMILES Nc1cc(C(F)F)c(cn1)-c1nc(cc(n1)N1C2CCC1COC2)N1C2CCC1COC2 Show InChI InChI=1S/C22H26F2N6O2/c23-21(24)16-5-18(25)26-7-17(16)22-27-19(29-12-1-2-13(29)9-31-8-12)6-20(28-22)30-14-3-4-15(30)11-32-10-14/h5-7,12-15,21H,1-4,8-11H2,(H2,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Binding affinity to recombinant human GST-tagged mTOR catalytic domain (1360 to 2549 residues) expressed in baculovirus after 1 hr by TR-FRET displac...				J Med Chem 61: 10084-10105 (2018) Article DOI: 10.1021/acs.jmedchem.8b01262 BindingDB Entry DOI: 10.7270/Q2X92F07
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50240975 (CHEMBL4084907) Show SMILES Nc1cc(c(cn1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1)C(F)(F)F Show InChI InChI=1S/C17H20F3N7O2/c18-17(19,20)12-9-13(21)22-10-11(12)14-23-15(26-1-5-28-6-2-26)25-16(24-14)27-3-7-29-8-4-27/h9-10H,1-8H2,(H2,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibition of alexa fluor 647-labeled kinase tracer 314 binding to recombinant human N-terminal GST-fused mTOR (1360 to 2549 residues) expressed in b...				J Med Chem 62: 8609-8630 (2019) Article DOI: 10.1021/acs.jmedchem.9b00972 BindingDB Entry DOI: 10.7270/Q2DJ5JW1
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50469456 (CHEMBL4285600) Show SMILES C[C@H]1COC[C@H](C)N1c1nc(nc(n1)-c1cnc(N)cc1C(F)F)N1[C@@H](C)COC[C@@H]1C |r| Show InChI InChI=1S/C21H29F2N7O2/c1-11-7-31-8-12(2)29(11)20-26-19(16-6-25-17(24)5-15(16)18(22)23)27-21(28-20)30-13(3)9-32-10-14(30)4/h5-6,11-14,18H,7-10H2,1-4H3,(H2,24,25)/t11-,12-,13-,14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	64	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Binding affinity to recombinant N-terminal His6-tagged P110alpha catalytic domain (unknown origin) after 1 hr by TR-FRET displacement assay				J Med Chem 61: 10084-10105 (2018) Article DOI: 10.1021/acs.jmedchem.8b01262 BindingDB Entry DOI: 10.7270/Q2X92F07
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50505412 (CHEMBL4518075) Show SMILES [H][C@]12Cc3c(nc(nc3N3CCOC[C@H]3C)-c3cnc(N)nc3C(OC)OC)N1CCOC2 |r| Show InChI InChI=1S/C21H29N7O4/c1-12-10-31-6-4-27(12)18-14-8-13-11-32-7-5-28(13)19(14)26-17(25-18)15-9-23-21(22)24-16(15)20(29-2)30-3/h9,12-13,20H,4-8,10-11H2,1-3H3,(H2,22,23,24)/t12-,13-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibition of alexa fluor 647-labeled kinase tracer 314 binding to recombinant human full-length N-terminal His6-tagged p110alpha/p85alpha expressed ...				J Med Chem 62: 8609-8630 (2019) Article DOI: 10.1021/acs.jmedchem.9b00972 BindingDB Entry DOI: 10.7270/Q2DJ5JW1
					More data for this Ligand-Target Pair

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