Compile Data Set for Download or QSAR

Found 896 hits with Last Name = 'feldberg' and Initial = 'l'   

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
Mitogen-activated protein kinase 1/3 (Homo sapiens (Human))	BDBM28123 (3-cyanoquinoline, 8 | 4-({3-chloro-4-[(1-methyl-1H...) Show SMILES COc1cc2c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c(cnc2cc1OCCCN1CCOCC1)C#N Show InChI InChI=1S/C28H29ClN6O3S/c1-34-8-6-31-28(34)39-26-5-4-20(14-22(26)29)33-27-19(17-30)18-32-23-16-25(24(36-2)15-21(23)27)38-11-3-7-35-9-12-37-13-10-35/h4-6,8,14-16,18H,3,7,9-13H2,1-2H3,(H,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.0100	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of MEK1 phosphorylation in LoVo cells				Bioorg Med Chem Lett 13: 3031-4 (2003) BindingDB Entry DOI: 10.7270/Q2P84B8T
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50349619 (CHEMBL1808977) Show SMILES CN(C)CCN(C)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(O[C@H]3CCOC3)nc(n2)N2CCOCC2)cc1 |r| Show InChI InChI=1S/C30H38N8O5/c1-36(2)13-14-37(3)27(39)22-6-10-24(11-7-22)32-29(40)31-23-8-4-21(5-9-23)26-33-28(38-15-18-41-19-16-38)35-30(34-26)43-25-12-17-42-20-25/h4-11,25H,12-20H2,1-3H3,(H2,31,32,40)/t25-/m0/s1	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	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human PI3Kalpha expressed in SF9 insect cells after 2 hrs by fluorescence polarization assay				Bioorg Med Chem Lett 21: 4773-8 (2011) Article DOI: 10.1016/j.bmcl.2011.06.063 BindingDB Entry DOI: 10.7270/Q20C4W4G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50349628 (CHEMBL1808986) Show SMILES CC(C)Oc1nc(nc(n1)-c1ccc(NC(=O)Nc2ccc(cc2)C(=O)N(C)CCN(C)C)cc1)N1CCOCC1 Show InChI InChI=1S/C29H38N8O4/c1-20(2)41-29-33-25(32-27(34-29)37-16-18-40-19-17-37)21-6-10-23(11-7-21)30-28(39)31-24-12-8-22(9-13-24)26(38)36(5)15-14-35(3)4/h6-13,20H,14-19H2,1-5H3,(H2,30,31,39)	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	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mTOR				Bioorg Med Chem Lett 21: 4773-8 (2011) Article DOI: 10.1016/j.bmcl.2011.06.063 BindingDB Entry DOI: 10.7270/Q20C4W4G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50349632 (CHEMBL1808990) Show SMILES O=C(Nc1ccc(cc1)C(=O)NCCN1CCCC1)Nc1ccc(cc1)-c1nc(O[C@H]2CCOC2)nc(n1)N1CCOCC1 |r| Show InChI InChI=1S/C31H38N8O5/c40-28(32-12-15-38-13-1-2-14-38)23-5-9-25(10-6-23)34-30(41)33-24-7-3-22(4-8-24)27-35-29(39-16-19-42-20-17-39)37-31(36-27)44-26-11-18-43-21-26/h3-10,26H,1-2,11-21H2,(H,32,40)(H2,33,34,41)/t26-/m0/s1	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	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mTOR				Bioorg Med Chem Lett 21: 4773-8 (2011) Article DOI: 10.1016/j.bmcl.2011.06.063 BindingDB Entry DOI: 10.7270/Q20C4W4G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50308782 (4-{3-[4-(3-Isopropyl-7-morpholin-4-yl-3H-[1,2,3]-t...) Show SMILES CC(C)n1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)C(N)=O)cc1)N1CCOCC1 Show InChI InChI=1S/C25H27N9O3/c1-15(2)34-24-20(31-32-34)23(33-11-13-37-14-12-33)29-22(30-24)17-5-9-19(10-6-17)28-25(36)27-18-7-3-16(4-8-18)21(26)35/h3-10,15H,11-14H2,1-2H3,(H2,26,35)(H2,27,28,36)	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	0.310	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
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50327426 (1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...) Show SMILES OCCc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2C3CCC2COC3)cc1 Show InChI InChI=1S/C28H33N7O4/c36-14-11-19-1-5-21(6-2-19)29-28(37)30-22-7-3-20(4-8-22)25-31-26(34-12-15-38-16-13-34)33-27(32-25)35-23-9-10-24(35)18-39-17-23/h1-8,23-24,36H,9-18H2,(H2,29,30,37)	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	0.320	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mTOR				Bioorg Med Chem Lett 20: 5869-73 (2010) Article DOI: 10.1016/j.bmcl.2010.07.104 BindingDB Entry DOI: 10.7270/Q2XP755V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50308780 (1-(4-Hydroxymethylphenyl)-3-[4-(3-isopropyl-7-morp...) Show SMILES CC(C)n1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(CO)cc2)cc1)N1CCOCC1 Show InChI InChI=1S/C25H28N8O3/c1-16(2)33-24-21(30-31-33)23(32-11-13-36-14-12-32)28-22(29-24)18-5-9-20(10-6-18)27-25(35)26-19-7-3-17(15-34)4-8-19/h3-10,16,34H,11-15H2,1-2H3,(H2,26,27,35)	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	0.320	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
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50308784 (1-[4-(3-Isopropyl-7-morpholin-4-yl-3H-[1,2,3]-tria...) Show SMILES CC(C)n1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)N2CCOCC2)cc1)N1CCOCC1 Show InChI InChI=1S/C28H33N9O3/c1-19(2)37-27-24(33-34-37)26(36-13-17-40-18-14-36)31-25(32-27)20-3-5-21(6-4-20)29-28(38)30-22-7-9-23(10-8-22)35-11-15-39-16-12-35/h3-10,19H,11-18H2,1-2H3,(H2,29,30,38)	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	0.350	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
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50308781 (4-(3-(4-(3-ethyl-7-morpholino-3H-[1,2,3]triazolo[4...) Show SMILES CCn1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)C(N)=O)cc1)N1CCOCC1 Show InChI InChI=1S/C24H25N9O3/c1-2-33-23-19(30-31-33)22(32-11-13-36-14-12-32)28-21(29-23)16-5-9-18(10-6-16)27-24(35)26-17-7-3-15(4-8-17)20(25)34/h3-10H,2,11-14H2,1H3,(H2,25,34)(H2,26,27,35)	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	0.390	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
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50349629 (CHEMBL1808987) Show SMILES CC(C)Oc1nc(nc(n1)-c1ccc(NC(=O)Nc2ccc(cc2)C(=O)NCCN(C)C)cc1)N1CCOCC1 Show InChI InChI=1S/C28H36N8O4/c1-19(2)40-28-33-24(32-26(34-28)36-15-17-39-18-16-36)20-5-9-22(10-6-20)30-27(38)31-23-11-7-21(8-12-23)25(37)29-13-14-35(3)4/h5-12,19H,13-18H2,1-4H3,(H,29,37)(H2,30,31,38)	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	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mTOR				Bioorg Med Chem Lett 21: 4773-8 (2011) Article DOI: 10.1016/j.bmcl.2011.06.063 BindingDB Entry DOI: 10.7270/Q20C4W4G
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50378663 (CHEMBL1204015) Show SMILES CN(C)CCN(C)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1 Show InChI InChI=1S/C30H39N9O4/c1-36(2)12-13-37(3)27(40)23-6-10-25(11-7-23)32-30(41)31-24-8-4-22(5-9-24)26-33-28(38-14-18-42-19-15-38)35-29(34-26)39-16-20-43-21-17-39/h4-11H,12-21H2,1-3H3,(H2,31,32,41)	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	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha				J Med Chem 53: 2636-45 (2010) Article DOI: 10.1021/jm901830p BindingDB Entry DOI: 10.7270/Q2862HDH
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50349631 (CHEMBL1808989) Show SMILES O=C(Nc1ccc(cc1)C(=O)NCCN1CCCCC1)Nc1ccc(cc1)-c1nc(O[C@H]2CCOC2)nc(n1)N1CCOCC1 |r| Show InChI InChI=1S/C32H40N8O5/c41-29(33-13-16-39-14-2-1-3-15-39)24-6-10-26(11-7-24)35-31(42)34-25-8-4-23(5-9-25)28-36-30(40-17-20-43-21-18-40)38-32(37-28)45-27-12-19-44-22-27/h4-11,27H,1-3,12-22H2,(H,33,41)(H2,34,35,42)/t27-/m0/s1	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	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mTOR				Bioorg Med Chem Lett 21: 4773-8 (2011) Article DOI: 10.1016/j.bmcl.2011.06.063 BindingDB Entry DOI: 10.7270/Q20C4W4G
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50308156 (CHEMBL592615 | N-[2-(Dimethylamino)ethyl]-4-({[4-(...) Show SMILES CN(C)CCNC(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1 Show InChI InChI=1S/C29H37N9O4/c1-36(2)12-11-30-26(39)22-5-9-24(10-6-22)32-29(40)31-23-7-3-21(4-8-23)25-33-27(37-13-17-41-18-14-37)35-28(34-25)38-15-19-42-20-16-38/h3-10H,11-20H2,1-2H3,(H,30,39)(H2,31,32,40)	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	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha				J Med Chem 53: 2636-45 (2010) Article DOI: 10.1021/jm901830p BindingDB Entry DOI: 10.7270/Q2862HDH
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50315759 (CHEMBL1092073 | N-[2-(Dimethylamino)ethyl]-4-[({4-...) Show SMILES CN(C)CCNC(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3ccn(CC(F)(F)F)c3n2)cc1 Show InChI InChI=1S/C30H33F3N8O3/c1-39(2)14-12-34-28(42)21-5-9-23(10-6-21)36-29(43)35-22-7-3-20(4-8-22)25-37-26(40-15-17-44-18-16-40)24-11-13-41(27(24)38-25)19-30(31,32)33/h3-11,13H,12,14-19H2,1-2H3,(H,34,42)(H2,35,36,43)	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	0.400	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: 3169-82 (2010) Article DOI: 10.1021/jm901783v BindingDB Entry DOI: 10.7270/Q21J99XP
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50308135 (1-(4-{[4-(Dimethylamino)piperidin-1-yl]carbonyl}ph...) Show SMILES CN(C)C1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1 Show InChI InChI=1S/C32H41N9O4/c1-38(2)27-11-13-39(14-12-27)29(42)24-5-9-26(10-6-24)34-32(43)33-25-7-3-23(4-8-25)28-35-30(40-15-19-44-20-16-40)37-31(36-28)41-17-21-45-22-18-41/h3-10,27H,11-22H2,1-2H3,(H2,33,34,43)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human PI3Kalpha expressed in SF9 insect cells after 2 hrs by fluorescence polarization assay				Bioorg Med Chem Lett 21: 4773-8 (2011) Article DOI: 10.1016/j.bmcl.2011.06.063 BindingDB Entry DOI: 10.7270/Q20C4W4G
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50349621 (CHEMBL1808979) Show SMILES COc1nc(nc(n1)-c1ccc(NC(=O)Nc2ccc(cc2)C(=O)N(C)CCN(C)C)cc1)N1CCOCC1 Show InChI InChI=1S/C27H34N8O4/c1-33(2)13-14-34(3)24(36)20-7-11-22(12-8-20)29-26(37)28-21-9-5-19(6-10-21)23-30-25(32-27(31-23)38-4)35-15-17-39-18-16-35/h5-12H,13-18H2,1-4H3,(H2,28,29,37)	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	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human PI3Kalpha expressed in SF9 insect cells after 2 hrs by fluorescence polarization assay				Bioorg Med Chem Lett 21: 4773-8 (2011) Article DOI: 10.1016/j.bmcl.2011.06.063 BindingDB Entry DOI: 10.7270/Q20C4W4G
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50308135 (1-(4-{[4-(Dimethylamino)piperidin-1-yl]carbonyl}ph...) Show SMILES CN(C)C1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1 Show InChI InChI=1S/C32H41N9O4/c1-38(2)27-11-13-39(14-12-27)29(42)24-5-9-26(10-6-24)34-32(43)33-25-7-3-23(4-8-25)28-35-30(40-15-19-44-20-16-40)37-31(36-28)41-17-21-45-22-18-41/h3-10,27H,11-22H2,1-2H3,(H2,33,34,43)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha				J Med Chem 53: 2636-45 (2010) Article DOI: 10.1021/jm901830p BindingDB Entry DOI: 10.7270/Q2862HDH
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50308135 (1-(4-{[4-(Dimethylamino)piperidin-1-yl]carbonyl}ph...) Show SMILES CN(C)C1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1 Show InChI InChI=1S/C32H41N9O4/c1-38(2)27-11-13-39(14-12-27)29(42)24-5-9-26(10-6-24)34-32(43)33-25-7-3-23(4-8-25)28-35-30(40-15-19-44-20-16-40)37-31(36-28)41-17-21-45-22-18-41/h3-10,27H,11-22H2,1-2H3,(H2,33,34,43)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mTOR				Bioorg Med Chem Lett 21: 4773-8 (2011) Article DOI: 10.1016/j.bmcl.2011.06.063 BindingDB Entry DOI: 10.7270/Q20C4W4G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50327419 (1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...) Show SMILES O=C(Nc1ccncc1)Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1C2CCC1COC2 Show InChI InChI=1S/C25H28N8O3/c34-25(28-19-7-9-26-10-8-19)27-18-3-1-17(2-4-18)22-29-23(32-11-13-35-14-12-32)31-24(30-22)33-20-5-6-21(33)16-36-15-20/h1-4,7-10,20-21H,5-6,11-16H2,(H2,26,27,28,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.420	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mTOR				Bioorg Med Chem Lett 20: 5869-73 (2010) Article DOI: 10.1016/j.bmcl.2010.07.104 BindingDB Entry DOI: 10.7270/Q2XP755V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50327425 (1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...) Show SMILES OCc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2C3CCC2COC3)cc1 Show InChI InChI=1S/C27H31N7O4/c35-15-18-1-5-20(6-2-18)28-27(36)29-21-7-3-19(4-8-21)24-30-25(33-11-13-37-14-12-33)32-26(31-24)34-22-9-10-23(34)17-38-16-22/h1-8,22-23,35H,9-17H2,(H2,28,29,36)	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	0.430	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mTOR				Bioorg Med Chem Lett 20: 5869-73 (2010) Article DOI: 10.1016/j.bmcl.2010.07.104 BindingDB Entry DOI: 10.7270/Q2XP755V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50315762 (CHEMBL1092402 | N-[2-(Dimethylamino)ethyl]-4-({[4-...) Show SMILES CCn1ccc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)C(=O)NCCN(C)C)cc1)N1CCOCC1 Show InChI InChI=1S/C30H36N8O3/c1-4-37-15-13-25-27(37)34-26(35-28(25)38-17-19-41-20-18-38)21-5-9-23(10-6-21)32-30(40)33-24-11-7-22(8-12-24)29(39)31-14-16-36(2)3/h5-13,15H,4,14,16-20H2,1-3H3,(H,31,39)(H2,32,33,40)	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: 3169-82 (2010) Article DOI: 10.1021/jm901783v BindingDB Entry DOI: 10.7270/Q21J99XP
					More data for this Ligand-Target Pair
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
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50378662 (CHEMBL1204014) Show SMILES CN1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1 Show InChI InChI=1S/C30H37N9O4/c1-36-10-12-37(13-11-36)27(40)23-4-8-25(9-5-23)32-30(41)31-24-6-2-22(3-7-24)26-33-28(38-14-18-42-19-15-38)35-29(34-26)39-16-20-43-21-17-39/h2-9H,10-21H2,1H3,(H2,31,32,41)	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 PI3Kalpha				J Med Chem 53: 2636-45 (2010) Article DOI: 10.1021/jm901830p BindingDB Entry DOI: 10.7270/Q2862HDH
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50327431 (1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...) Show SMILES O=C(Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1C2CCC1COC2)Nc1cccnc1 Show InChI InChI=1S/C25H28N8O3/c34-25(28-19-2-1-9-26-14-19)27-18-5-3-17(4-6-18)22-29-23(32-10-12-35-13-11-32)31-24(30-22)33-20-7-8-21(33)16-36-15-20/h1-6,9,14,20-21H,7-8,10-13,15-16H2,(H2,27,28,34)	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
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mTOR				Bioorg Med Chem Lett 20: 5869-73 (2010) Article DOI: 10.1016/j.bmcl.2010.07.104 BindingDB Entry DOI: 10.7270/Q2XP755V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50308156 (CHEMBL592615 | N-[2-(Dimethylamino)ethyl]-4-({[4-(...) Show SMILES CN(C)CCNC(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1 Show InChI InChI=1S/C29H37N9O4/c1-36(2)12-11-30-26(39)22-5-9-24(10-6-22)32-29(40)31-23-7-3-21(4-8-23)25-33-27(37-13-17-41-18-14-37)35-28(34-25)38-15-19-42-20-16-38/h3-10H,11-20H2,1-2H3,(H,30,39)(H2,31,32,40)	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				J Med Chem 53: 2636-45 (2010) Article DOI: 10.1021/jm901830p BindingDB Entry DOI: 10.7270/Q2862HDH
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50308769 (1-[4-(3-Isopropyl-7-morpholin-4-yl-3H-[1,2,3]-tria...) Show SMILES CC(C)n1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccncc2)cc1)N1CCOCC1 Show InChI InChI=1S/C23H25N9O2/c1-15(2)32-22-19(29-30-32)21(31-11-13-34-14-12-31)27-20(28-22)16-3-5-17(6-4-16)25-23(33)26-18-7-9-24-10-8-18/h3-10,15H,11-14H2,1-2H3,(H2,24,25,26,33)	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	0.510	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
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50308785 (CHEMBL591357 | N-Ethyl-4-({[4-(3-ethyl-7-morpholin...) Show SMILES CCNC(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3nnn(CC)c3n2)cc1 Show InChI InChI=1S/C26H29N9O3/c1-3-27-25(36)18-7-11-20(12-8-18)29-26(37)28-19-9-5-17(6-10-19)22-30-23(34-13-15-38-16-14-34)21-24(31-22)35(4-2)33-32-21/h5-12H,3-4,13-16H2,1-2H3,(H,27,36)(H2,28,29,37)	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	0.560	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
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50308772 (1-[4-(3-Isopropyl-7-morpholin-4-yl-3H-[1,2,3]-tria...) Show SMILES CC(C)n1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2cccnc2)cc1)N1CCOCC1 Show InChI InChI=1S/C23H25N9O2/c1-15(2)32-22-19(29-30-32)21(31-10-12-34-13-11-31)27-20(28-22)16-5-7-17(8-6-16)25-23(33)26-18-4-3-9-24-14-18/h3-9,14-15H,10-13H2,1-2H3,(H2,25,26,33)	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	0.570	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
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50308774 (1-(4-(3-Cyclopropyl-7-morpholino-3H-[1,2,3]-triazo...) Show SMILES O=C(Nc1ccc(cc1)-c1nc(N2CCOCC2)c2nnn(C3CC3)c2n1)Nc1cccnc1 Show InChI InChI=1S/C23H23N9O2/c33-23(26-17-2-1-9-24-14-17)25-16-5-3-15(4-6-16)20-27-21(31-10-12-34-13-11-31)19-22(28-20)32(30-29-19)18-7-8-18/h1-6,9,14,18H,7-8,10-13H2,(H2,25,26,33)	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	0.570	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
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50349626 (CHEMBL1808984) Show SMILES CN1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(OC3COC3)nc(n2)N2CCOCC2)cc1 Show InChI InChI=1S/C29H34N8O5/c1-35-10-12-36(13-11-35)26(38)21-4-8-23(9-5-21)31-28(39)30-22-6-2-20(3-7-22)25-32-27(37-14-16-40-17-15-37)34-29(33-25)42-24-18-41-19-24/h2-9,24H,10-19H2,1H3,(H2,30,31,39)	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	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human PI3Kalpha expressed in SF9 insect cells after 2 hrs by fluorescence polarization assay				Bioorg Med Chem Lett 21: 4773-8 (2011) Article DOI: 10.1016/j.bmcl.2011.06.063 BindingDB Entry DOI: 10.7270/Q20C4W4G
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50349622 (CHEMBL1808980) Show SMILES COc1nc(nc(n1)-c1ccc(NC(=O)Nc2ccc(cc2)C(=O)NCCN(C)C)cc1)N1CCOCC1 Show InChI InChI=1S/C26H32N8O4/c1-33(2)13-12-27-23(35)19-6-10-21(11-7-19)29-25(36)28-20-8-4-18(5-9-20)22-30-24(32-26(31-22)37-3)34-14-16-38-17-15-34/h4-11H,12-17H2,1-3H3,(H,27,35)(H2,28,29,36)	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	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human PI3Kalpha expressed in SF9 insect cells after 2 hrs by fluorescence polarization assay				Bioorg Med Chem Lett 21: 4773-8 (2011) Article DOI: 10.1016/j.bmcl.2011.06.063 BindingDB Entry DOI: 10.7270/Q20C4W4G
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50308137 (1-(4-(1,4'-bipiperidine-1'-carbonyl)phenyl)-3-(4-(...) Show SMILES O=C(Nc1ccc(cc1)C(=O)N1CCC(CC1)N1CCCCC1)Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C35H45N9O4/c45-32(42-16-12-30(13-17-42)41-14-2-1-3-15-41)27-6-10-29(11-7-27)37-35(46)36-28-8-4-26(5-9-28)31-38-33(43-18-22-47-23-19-43)40-34(39-31)44-20-24-48-25-21-44/h4-11,30H,1-3,12-25H2,(H2,36,37,46)	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	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha				J Med Chem 53: 2636-45 (2010) Article DOI: 10.1021/jm901830p BindingDB Entry DOI: 10.7270/Q2862HDH
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50378663 (CHEMBL1204015) Show SMILES CN(C)CCN(C)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1 Show InChI InChI=1S/C30H39N9O4/c1-36(2)12-13-37(3)27(40)23-6-10-25(11-7-23)32-30(41)31-24-8-4-22(5-9-24)26-33-28(38-14-18-42-19-15-38)35-29(34-26)39-16-20-43-21-17-39/h4-11H,12-21H2,1-3H3,(H2,31,32,41)	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	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of mTOR				J Med Chem 53: 2636-45 (2010) Article DOI: 10.1021/jm901830p BindingDB Entry DOI: 10.7270/Q2862HDH
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50315758 (CHEMBL1092072 | N-[2-(Dimethylamino)ethyl]-N-methy...) Show SMILES CN(C)CCN(C)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3ccn(CC(F)(F)F)c3n2)cc1 Show InChI InChI=1S/C31H35F3N8O3/c1-39(2)14-15-40(3)29(43)22-6-10-24(11-7-22)36-30(44)35-23-8-4-21(5-9-23)26-37-27(41-16-18-45-19-17-41)25-12-13-42(28(25)38-26)20-31(32,33)34/h4-13H,14-20H2,1-3H3,(H2,35,36,44)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	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: 3169-82 (2010) Article DOI: 10.1021/jm901783v BindingDB Entry DOI: 10.7270/Q21J99XP
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50308768 (1-[4-(3-Ethyl-7-morpholin-4-yl-3H-[1,2,3]triazolo-...) Show SMILES CCn1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccncc2)cc1)N1CCOCC1 Show InChI InChI=1S/C22H23N9O2/c1-2-31-21-18(28-29-31)20(30-11-13-33-14-12-30)26-19(27-21)15-3-5-16(6-4-15)24-22(32)25-17-7-9-23-10-8-17/h3-10H,2,11-14H2,1H3,(H2,23,24,25,32)	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	0.630	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
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50308137 (1-(4-(1,4'-bipiperidine-1'-carbonyl)phenyl)-3-(4-(...) Show SMILES O=C(Nc1ccc(cc1)C(=O)N1CCC(CC1)N1CCCCC1)Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C35H45N9O4/c45-32(42-16-12-30(13-17-42)41-14-2-1-3-15-41)27-6-10-29(11-7-27)37-35(46)36-28-8-4-26(5-9-28)31-38-33(43-18-22-47-23-19-43)40-34(39-31)44-20-24-48-25-21-44/h4-11,30H,1-3,12-25H2,(H2,36,37,46)	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	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of mTOR				J Med Chem 53: 2636-45 (2010) Article DOI: 10.1021/jm901830p BindingDB Entry DOI: 10.7270/Q2862HDH
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50308136 (1-[4-(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)-phe...) Show SMILES O=C(Nc1ccc(cc1)C(=O)N1CCC(CC1)N1CCCC1)Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C34H43N9O4/c44-31(41-15-11-29(12-16-41)40-13-1-2-14-40)26-5-9-28(10-6-26)36-34(45)35-27-7-3-25(4-8-27)30-37-32(42-17-21-46-22-18-42)39-33(38-30)43-19-23-47-24-20-43/h3-10,29H,1-2,11-24H2,(H2,35,36,45)	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	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha				J Med Chem 53: 2636-45 (2010) Article DOI: 10.1021/jm901830p BindingDB Entry DOI: 10.7270/Q2862HDH
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50349619 (CHEMBL1808977) Show SMILES CN(C)CCN(C)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(O[C@H]3CCOC3)nc(n2)N2CCOCC2)cc1 |r| Show InChI InChI=1S/C30H38N8O5/c1-36(2)13-14-37(3)27(39)22-6-10-24(11-7-22)32-29(40)31-23-8-4-21(5-9-23)26-33-28(38-15-18-41-19-16-38)35-30(34-26)43-25-12-17-42-20-25/h4-11,25H,12-20H2,1-3H3,(H2,31,32,40)/t25-/m0/s1	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	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mTOR				Bioorg Med Chem Lett 21: 4773-8 (2011) Article DOI: 10.1016/j.bmcl.2011.06.063 BindingDB Entry DOI: 10.7270/Q20C4W4G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50308155 (4-(3-(4-(4,6-Dimorpholino-1,3,5-triazin-2-yl)pheny...) Show SMILES CNC(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1 Show InChI InChI=1S/C26H30N8O4/c1-27-23(35)19-4-8-21(9-5-19)29-26(36)28-20-6-2-18(3-7-20)22-30-24(33-10-14-37-15-11-33)32-25(31-22)34-12-16-38-17-13-34/h2-9H,10-17H2,1H3,(H,27,35)(H2,28,29,36)	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	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of mTOR				J Med Chem 53: 2636-45 (2010) Article DOI: 10.1021/jm901830p BindingDB Entry DOI: 10.7270/Q2862HDH
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50327434 (1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...) Show SMILES O=C(Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1C2CCC1COC2)Nc1cncnc1 Show InChI InChI=1S/C24H27N9O3/c34-24(28-18-11-25-15-26-12-18)27-17-3-1-16(2-4-17)21-29-22(32-7-9-35-10-8-32)31-23(30-21)33-19-5-6-20(33)14-36-13-19/h1-4,11-12,15,19-20H,5-10,13-14H2,(H2,27,28,34)	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	0.730	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mTOR				Bioorg Med Chem Lett 20: 5869-73 (2010) Article DOI: 10.1016/j.bmcl.2010.07.104 BindingDB Entry DOI: 10.7270/Q2XP755V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50308786 (4-({[4-(3-Ethyl-7-morpholin-4-yl-3H-[1,2,3]-triazo...) Show SMILES CCn1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)C(=O)N(C)C)cc1)N1CCOCC1 Show InChI InChI=1S/C26H29N9O3/c1-4-35-24-21(31-32-35)23(34-13-15-38-16-14-34)29-22(30-24)17-5-9-19(10-6-17)27-26(37)28-20-11-7-18(8-12-20)25(36)33(2)3/h5-12H,4,13-16H2,1-3H3,(H2,27,28,37)	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	0.75	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
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50308136 (1-[4-(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)-phe...) Show SMILES O=C(Nc1ccc(cc1)C(=O)N1CCC(CC1)N1CCCC1)Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C34H43N9O4/c44-31(41-15-11-29(12-16-41)40-13-1-2-14-40)26-5-9-28(10-6-26)36-34(45)35-27-7-3-25(4-8-27)30-37-32(42-17-21-46-22-18-42)39-33(38-30)43-19-23-47-24-20-43/h3-10,29H,1-2,11-24H2,(H2,35,36,45)	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	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of mTOR				J Med Chem 53: 2636-45 (2010) Article DOI: 10.1021/jm901830p BindingDB Entry DOI: 10.7270/Q2862HDH
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50315754 (1-[4-(7-Ethyl-4-morpholin-4-yl-7H-pyrrolo[2,3-d]py...) Show SMILES CCn1ccc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)C(=O)N2CCNCC2)cc1)N1CCOCC1 Show InChI InChI=1S/C30H34N8O3/c1-2-36-14-11-25-27(36)34-26(35-28(25)37-17-19-41-20-18-37)21-3-7-23(8-4-21)32-30(40)33-24-9-5-22(6-10-24)29(39)38-15-12-31-13-16-38/h3-11,14,31H,2,12-13,15-20H2,1H3,(H2,32,33,40)	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	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human PI3Kalpha by fluorescence polarization format assay				J Med Chem 53: 3169-82 (2010) Article DOI: 10.1021/jm901783v BindingDB Entry DOI: 10.7270/Q21J99XP
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50327436 (1-(4-(4-((6S)-6-hydroxy-3-oxa-8-azabicyclo[3.2.1]o...) Show SMILES O[C@H]1CC2COCC1N2c1nc(nc(n1)-c1ccc(NC(=O)Nc2ccncc2)cc1)N1CCOCC1 |r,TLB:0:1:8:5.4.6| Show InChI InChI=1S/C25H28N8O4/c34-21-13-19-14-37-15-20(21)33(19)24-30-22(29-23(31-24)32-9-11-36-12-10-32)16-1-3-17(4-2-16)27-25(35)28-18-5-7-26-8-6-18/h1-8,19-21,34H,9-15H2,(H2,26,27,28,35)/t19?,20?,21-/m0/s1	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	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mTOR				Bioorg Med Chem Lett 20: 5869-73 (2010) Article DOI: 10.1016/j.bmcl.2010.07.104 BindingDB Entry DOI: 10.7270/Q2XP755V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50327430 (1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...) Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3ccc(cc3)-c3nc(nc(n3)N3CCOCC3)N3C4CCC3COC4)cc2)CC1 Show InChI InChI=1S/C32H41N9O3/c1-38-12-14-39(15-13-38)20-23-2-6-25(7-3-23)33-32(42)34-26-8-4-24(5-9-26)29-35-30(40-16-18-43-19-17-40)37-31(36-29)41-27-10-11-28(41)22-44-21-27/h2-9,27-28H,10-22H2,1H3,(H2,33,34,42)	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	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mTOR				Bioorg Med Chem Lett 20: 5869-73 (2010) Article DOI: 10.1016/j.bmcl.2010.07.104 BindingDB Entry DOI: 10.7270/Q2XP755V
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50349623 (CHEMBL1808981) Show SMILES CNCCN(C)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(OC)nc(n2)N2CCOCC2)cc1 Show InChI InChI=1S/C26H32N8O4/c1-27-12-13-33(2)23(35)19-6-10-21(11-7-19)29-25(36)28-20-8-4-18(5-9-20)22-30-24(32-26(31-22)37-3)34-14-16-38-17-15-34/h4-11,27H,12-17H2,1-3H3,(H2,28,29,36)	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	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human PI3Kalpha expressed in SF9 insect cells after 2 hrs by fluorescence polarization assay				Bioorg Med Chem Lett 21: 4773-8 (2011) Article DOI: 10.1016/j.bmcl.2011.06.063 BindingDB Entry DOI: 10.7270/Q20C4W4G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50308770 (1-(4-(3-Cyclopropyl-7-morpholino-3H-[1,2,3]-triazo...) Show SMILES O=C(Nc1ccncc1)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2nnn(C3CC3)c2n1 Show InChI InChI=1S/C23H23N9O2/c33-23(26-17-7-9-24-10-8-17)25-16-3-1-15(2-4-16)20-27-21(31-11-13-34-14-12-31)19-22(28-20)32(30-29-19)18-5-6-18/h1-4,7-10,18H,5-6,11-14H2,(H2,24,25,26,33)	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	0.840	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
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50308771 (1-[4-(3-Ethyl-7-morpholin-4-yl-3H-[1,2,3]triazolo-...) Show SMILES CCn1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2cccnc2)cc1)N1CCOCC1 Show InChI InChI=1S/C22H23N9O2/c1-2-31-21-18(28-29-31)20(30-10-12-33-13-11-30)26-19(27-21)15-5-7-16(8-6-15)24-22(32)25-17-4-3-9-23-14-17/h3-9,14H,2,10-13H2,1H3,(H2,24,25,32)	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	0.890	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
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50315754 (1-[4-(7-Ethyl-4-morpholin-4-yl-7H-pyrrolo[2,3-d]py...) Show SMILES CCn1ccc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)C(=O)N2CCNCC2)cc1)N1CCOCC1 Show InChI InChI=1S/C30H34N8O3/c1-2-36-14-11-25-27(36)34-26(35-28(25)37-17-19-41-20-18-37)21-3-7-23(8-4-21)32-30(40)33-24-9-5-22(6-10-24)29(39)38-15-12-31-13-16-38/h3-11,14,31H,2,12-13,15-20H2,1H3,(H2,32,33,40)	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	0.900	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: 3169-82 (2010) Article DOI: 10.1021/jm901783v BindingDB Entry DOI: 10.7270/Q21J99XP
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50315758 (CHEMBL1092072 | N-[2-(Dimethylamino)ethyl]-N-methy...) Show SMILES CN(C)CCN(C)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3ccn(CC(F)(F)F)c3n2)cc1 Show InChI InChI=1S/C31H35F3N8O3/c1-39(2)14-15-40(3)29(43)22-6-10-24(11-7-22)36-30(44)35-23-8-4-21(5-9-23)26-37-27(41-16-18-45-19-17-41)25-12-13-42(28(25)38-26)20-31(32,33)34/h4-13H,14-20H2,1-3H3,(H2,35,36,44)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human PI3Kalpha by fluorescence polarization format assay				J Med Chem 53: 3169-82 (2010) Article DOI: 10.1021/jm901783v BindingDB Entry DOI: 10.7270/Q21J99XP
					More data for this Ligand-Target Pair

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