Compile Data Set for Download or QSAR
Found 109 Enz. Inhib. hit(s) with all data for entry = 50000131
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
University of Basel

Curated by ChEMBL
LigandPNGBDBM50240988(CHEMBL4100862)
Show SMILES FC(F)(F)c1cc(Cl)ncc1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C17H18ClF3N6O2/c18-13-9-12(17(19,20)21)11(10-22-13)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
Affinity DataKi:  1.10nMAssay Description:Inhibition of human C-terminal GST-tagged mTOR (1360 to 2549 residues) expressed in baculovirus expression system using after 1 hr AlexaFluor647-labe...More data for this Ligand-Target Pair
LigandPNGBDBM50240995(CHEMBL4071370)
Show SMILES Nc1ncc(cc1C(F)(F)F)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C17H20F3N7O2/c18-17(19,20)12-9-11(10-22-13(12)21)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)
Affinity DataKi:  4.30nMAssay Description:Inhibition of human N-terminal His6-tagged PI3K p110alpha/p85alpha expressed in baculovirus expression system after 1 hr using AlexaFluor647-labeled ...More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
University of Basel

Curated by ChEMBL
LigandPNGBDBM50240987(CHEMBL4062723)
Show SMILES FC(F)(F)c1cc(Br)ncc1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C17H18BrF3N6O2/c18-13-9-12(17(19,20)21)11(10-22-13)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
Affinity DataKi:  6.60nMAssay Description:Displacement of [3H]baclofen from gamma-aminobutyric-acid B receptorMore data for this Ligand-Target Pair
LigandPNGBDBM50240973(CHEMBL4102855)
Show SMILES Nc1ncc(-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)c(n1)C(F)(F)F
Show InChI InChI=1S/C16H19F3N8O2/c17-16(18,19)11-10(9-21-13(20)22-11)12-23-14(26-1-5-28-6-2-26)25-15(24-12)27-3-7-29-8-4-27/h9H,1-8H2,(H2,20,21,22)
Affinity DataKi:  8.10nMAssay Description:Inhibition of human N-terminal His6-tagged PI3K p110alpha/p85alpha expressed in baculovirus expression system after 1 hr using AlexaFluor647-labeled ...More data for this Ligand-Target Pair
LigandPNGBDBM50240989(CHEMBL4081904)
Show SMILES CC(=O)Nc1cc(c(cn1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1)C(F)(F)F
Show InChI InChI=1S/C19H22F3N7O3/c1-12(30)24-15-10-14(19(20,21)22)13(11-23-15)16-25-17(28-2-6-31-7-3-28)27-18(26-16)29-4-8-32-9-5-29/h10-11H,2-9H2,1H3,(H,23,24,30)
Affinity DataKi:  9.70nMAssay Description:Inhibition of human N-terminal His6-tagged PI3K p110alpha/p85alpha expressed in baculovirus expression system after 1 hr using AlexaFluor647-labeled ...More data for this Ligand-Target Pair
LigandPNGBDBM50240991(CHEMBL4092165)
Show SMILES Cc1nc(N)ncc1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C16H22N8O2/c1-11-12(10-18-14(17)19-11)13-20-15(23-2-6-25-7-3-23)22-16(21-13)24-4-8-26-9-5-24/h10H,2-9H2,1H3,(H2,17,18,19)
Affinity DataKi:  13nMAssay Description:Inhibition of human N-terminal His6-tagged PI3K p110alpha/p85alpha expressed in baculovirus expression system after 1 hr using AlexaFluor647-labeled ...More data for this Ligand-Target Pair
LigandPNGBDBM50240975(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)
Affinity DataKi:  17nMAssay Description:Inhibition of human N-terminal His6-tagged PI3K p110alpha/p85alpha expressed in baculovirus expression system after 1 hr using AlexaFluor647-labeled ...More data for this Ligand-Target Pair
LigandPNGBDBM50240992(CHEMBL4097282)
Show SMILES Nc1ncc(cn1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C15H20N8O2/c16-13-17-9-11(10-18-13)12-19-14(22-1-5-24-6-2-22)21-15(20-12)23-3-7-25-8-4-23/h9-10H,1-8H2,(H2,16,17,18)
Affinity DataKi:  46nMAssay Description:Inhibition of human N-terminal His6-tagged PI3K p110alpha/p85alpha expressed in baculovirus expression system after 1 hr using AlexaFluor647-labeled ...More data for this Ligand-Target Pair
LigandPNGBDBM50240977(CHEMBL4071150)
Show SMILES Cc1cc(N)ncc1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C17H23N7O2/c1-12-10-14(18)19-11-13(12)15-20-16(23-2-6-25-7-3-23)22-17(21-15)24-4-8-26-9-5-24/h10-11H,2-9H2,1H3,(H2,18,19)
Affinity DataKi:  61nMAssay Description:Inhibition of human N-terminal His6-tagged PI3K p110alpha/p85alpha expressed in baculovirus expression system after 1 hr using AlexaFluor647-labeled ...More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
University of Basel

Curated by ChEMBL
LigandPNGBDBM50240975(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)
Affinity DataKi:  62nMAssay Description:Inhibition of human C-terminal GST-tagged mTOR (1360 to 2549 residues) expressed in baculovirus expression system using after 1 hr AlexaFluor647-labe...More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
University of Basel

Curated by ChEMBL
LigandPNGBDBM50240992(CHEMBL4097282)
Show SMILES Nc1ncc(cn1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C15H20N8O2/c16-13-17-9-11(10-18-13)12-19-14(22-1-5-24-6-2-22)21-15(20-12)23-3-7-25-8-4-23/h9-10H,1-8H2,(H2,16,17,18)
Affinity DataKi:  106nMAssay Description:Inhibition of human C-terminal GST-tagged mTOR (1360 to 2549 residues) expressed in baculovirus expression system using after 1 hr AlexaFluor647-labe...More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
University of Basel

Curated by ChEMBL
LigandPNGBDBM50240984(CHEMBL4068426)
Show SMILES Nc1ccc(cn1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C16H21N7O2/c17-13-2-1-12(11-18-13)14-19-15(22-3-7-24-8-4-22)21-16(20-14)23-5-9-25-10-6-23/h1-2,11H,3-10H2,(H2,17,18)
Affinity DataKi:  110nMAssay Description:Inhibition of human C-terminal GST-tagged mTOR (1360 to 2549 residues) expressed in baculovirus expression system using after 1 hr AlexaFluor647-labe...More data for this Ligand-Target Pair
LigandPNGBDBM50240984(CHEMBL4068426)
Show SMILES Nc1ccc(cn1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C16H21N7O2/c17-13-2-1-12(11-18-13)14-19-15(22-3-7-24-8-4-22)21-16(20-14)23-5-9-25-10-6-23/h1-2,11H,3-10H2,(H2,17,18)
Affinity DataKi:  123nMAssay Description:Inhibition of human N-terminal His6-tagged PI3K p110alpha/p85alpha expressed in baculovirus expression system after 1 hr using AlexaFluor647-labeled ...More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
University of Basel

Curated by ChEMBL
LigandPNGBDBM50240983(CHEMBL4079258)
Show SMILES Nc1cnc(cn1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C15H20N8O2/c16-12-10-17-11(9-18-12)13-19-14(22-1-5-24-6-2-22)21-15(20-13)23-3-7-25-8-4-23/h9-10H,1-8H2,(H2,16,18)
Affinity DataKi:  185nMAssay Description:Inhibition of human C-terminal GST-tagged mTOR (1360 to 2549 residues) expressed in baculovirus expression system using after 1 hr AlexaFluor647-labe...More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
University of Basel

Curated by ChEMBL
LigandPNGBDBM50240973(CHEMBL4102855)
Show SMILES Nc1ncc(-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)c(n1)C(F)(F)F
Show InChI InChI=1S/C16H19F3N8O2/c17-16(18,19)11-10(9-21-13(20)22-11)12-23-14(26-1-5-28-6-2-26)25-15(24-12)27-3-7-29-8-4-27/h9H,1-8H2,(H2,20,21,22)
Affinity DataKi:  203nMAssay Description:Inhibition of human C-terminal GST-tagged mTOR (1360 to 2549 residues) expressed in baculovirus expression system using after 1 hr AlexaFluor647-labe...More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
University of Basel

Curated by ChEMBL
LigandPNGBDBM50240991(CHEMBL4092165)
Show SMILES Cc1nc(N)ncc1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C16H22N8O2/c1-11-12(10-18-14(17)19-11)13-20-15(23-2-6-25-7-3-23)22-16(21-13)24-4-8-26-9-5-24/h10H,2-9H2,1H3,(H2,17,18,19)
Affinity DataKi:  224nMAssay Description:Inhibition of human C-terminal GST-tagged mTOR (1360 to 2549 residues) expressed in baculovirus expression system using after 1 hr AlexaFluor647-labe...More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
University of Basel

Curated by ChEMBL
LigandPNGBDBM50240976(CHEMBL4098203)
Show SMILES Cc1cc(cnc1N)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C17H23N7O2/c1-12-10-13(11-19-14(12)18)15-20-16(23-2-6-25-7-3-23)22-17(21-15)24-4-8-26-9-5-24/h10-11H,2-9H2,1H3,(H2,18,19)
Affinity DataKi:  241nMAssay Description:Inhibition of human C-terminal GST-tagged mTOR (1360 to 2549 residues) expressed in baculovirus expression system using after 1 hr AlexaFluor647-labe...More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
University of Basel

Curated by ChEMBL
LigandPNGBDBM50240995(CHEMBL4071370)
Show SMILES Nc1ncc(cc1C(F)(F)F)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C17H20F3N7O2/c18-17(19,20)12-9-11(10-22-13(12)21)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)
Affinity DataKi:  284nMAssay Description:Inhibition of human C-terminal GST-tagged mTOR (1360 to 2549 residues) expressed in baculovirus expression system using after 1 hr AlexaFluor647-labe...More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
University of Basel

Curated by ChEMBL
LigandPNGBDBM50240985(CHEMBL4089567)
Show SMILES Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C17H22N6O2/c18-14-3-1-13(2-4-14)15-19-16(22-5-9-24-10-6-22)21-17(20-15)23-7-11-25-12-8-23/h1-4H,5-12,18H2
Affinity DataKi:  396nMAssay Description:Inhibition of human C-terminal GST-tagged mTOR (1360 to 2549 residues) expressed in baculovirus expression system using after 1 hr AlexaFluor647-labe...More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
University of Basel

Curated by ChEMBL
LigandPNGBDBM50240977(CHEMBL4071150)
Show SMILES Cc1cc(N)ncc1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C17H23N7O2/c1-12-10-14(18)19-11-13(12)15-20-16(23-2-6-25-7-3-23)22-17(21-15)24-4-8-26-9-5-24/h10-11H,2-9H2,1H3,(H2,18,19)
Affinity DataKi:  609nMAssay Description:Inhibition of human C-terminal GST-tagged mTOR (1360 to 2549 residues) expressed in baculovirus expression system using after 1 hr AlexaFluor647-labe...More data for this Ligand-Target Pair
LigandPNGBDBM50240993(CHEMBL4074098)
Show SMILES CONc1cc(c(cn1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1)C(F)(F)F
Show InChI InChI=1S/C18H22F3N7O3/c1-29-26-14-10-13(18(19,20)21)12(11-22-14)15-23-16(27-2-6-30-7-3-27)25-17(24-15)28-4-8-31-9-5-28/h10-11H,2-9H2,1H3,(H,22,26)
Affinity DataKi:  689nMAssay Description:Inhibition of human N-terminal His6-tagged PI3K p110alpha/p85alpha expressed in baculovirus expression system after 1 hr using AlexaFluor647-labeled ...More data for this Ligand-Target Pair
LigandPNGBDBM50240983(CHEMBL4079258)
Show SMILES Nc1cnc(cn1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C15H20N8O2/c16-12-10-17-11(9-18-12)13-19-14(22-1-5-24-6-2-22)21-15(20-13)23-3-7-25-8-4-23/h9-10H,1-8H2,(H2,16,18)
Affinity DataKi:  911nMAssay Description:Inhibition of human N-terminal His6-tagged PI3K p110alpha/p85alpha expressed in baculovirus expression system after 1 hr using AlexaFluor647-labeled ...More data for this Ligand-Target Pair
LigandPNGBDBM50240976(CHEMBL4098203)
Show SMILES Cc1cc(cnc1N)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C17H23N7O2/c1-12-10-13(11-19-14(12)18)15-20-16(23-2-6-25-7-3-23)22-17(21-15)24-4-8-26-9-5-24/h10-11H,2-9H2,1H3,(H2,18,19)
Affinity DataKi:  1.21E+3nMAssay Description:Inhibition of human N-terminal His6-tagged PI3K p110alpha/p85alpha expressed in baculovirus expression system after 1 hr using AlexaFluor647-labeled ...More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
University of Basel

Curated by ChEMBL
LigandPNGBDBM50240989(CHEMBL4081904)
Show SMILES CC(=O)Nc1cc(c(cn1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1)C(F)(F)F
Show InChI InChI=1S/C19H22F3N7O3/c1-12(30)24-15-10-14(19(20,21)22)13(11-23-15)16-25-17(28-2-6-31-7-3-28)27-18(26-16)29-4-8-32-9-5-29/h10-11H,2-9H2,1H3,(H,23,24,30)
Affinity DataKi:  1.21E+3nMAssay Description:Inhibition of human C-terminal GST-tagged mTOR (1360 to 2549 residues) expressed in baculovirus expression system using after 1 hr AlexaFluor647-labe...More data for this Ligand-Target Pair
LigandPNGBDBM50240985(CHEMBL4089567)
Show SMILES Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C17H22N6O2/c18-14-3-1-13(2-4-14)15-19-16(22-5-9-24-10-6-22)21-17(20-15)23-7-11-25-12-8-23/h1-4H,5-12,18H2
Affinity DataKi:  1.51E+3nMAssay Description:Inhibition of human N-terminal His6-tagged PI3K p110alpha/p85alpha expressed in baculovirus expression system after 1 hr using AlexaFluor647-labeled ...More data for this Ligand-Target Pair
LigandPNGBDBM50240994(CHEMBL4099904)
Show SMILES Oc1cc(c(cn1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1)C(F)(F)F
Show InChI InChI=1S/C17H19F3N6O3/c18-17(19,20)12-9-13(27)21-10-11(12)14-22-15(25-1-5-28-6-2-25)24-16(23-14)26-3-7-29-8-4-26/h9-10H,1-8H2,(H,21,27)
Affinity DataKi:  2.30E+3nMAssay Description:Inhibition of human N-terminal His6-tagged PI3K p110alpha/p85alpha expressed in baculovirus expression system after 1 hr using AlexaFluor647-labeled ...More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
University of Basel

Curated by ChEMBL
LigandPNGBDBM50240993(CHEMBL4074098)
Show SMILES CONc1cc(c(cn1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1)C(F)(F)F
Show InChI InChI=1S/C18H22F3N7O3/c1-29-26-14-10-13(18(19,20)21)12(11-22-14)15-23-16(27-2-6-30-7-3-27)25-17(24-15)28-4-8-31-9-5-28/h10-11H,2-9H2,1H3,(H,22,26)
Affinity DataKi:  2.54E+3nMAssay Description:Inhibition of human C-terminal GST-tagged mTOR (1360 to 2549 residues) expressed in baculovirus expression system using after 1 hr AlexaFluor647-labe...More data for this Ligand-Target Pair
LigandPNGBDBM50240988(CHEMBL4100862)
Show SMILES FC(F)(F)c1cc(Cl)ncc1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C17H18ClF3N6O2/c18-13-9-12(17(19,20)21)11(10-22-13)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
Affinity DataKi:  3.28E+4nMAssay Description:Inhibition of human N-terminal His6-tagged PI3K p110alpha/p85alpha expressed in baculovirus expression system after 1 hr using AlexaFluor647-labeled ...More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
University of Basel

Curated by ChEMBL
LigandPNGBDBM50240988(CHEMBL4100862)
Show SMILES FC(F)(F)c1cc(Cl)ncc1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C17H18ClF3N6O2/c18-13-9-12(17(19,20)21)11(10-22-13)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
Affinity DataIC50: 1.10nMAssay Description:Inhibition of mTOR in human A2058 cells assessed as reduction in phosphorylation of S6 at ser235/236 residues after 1 hr by in-cell Western methodMore data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
University of Basel

Curated by ChEMBL
LigandPNGBDBM50240994(CHEMBL4099904)
Show SMILES Oc1cc(c(cn1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1)C(F)(F)F
Show InChI InChI=1S/C17H19F3N6O3/c18-17(19,20)12-9-13(27)21-10-11(12)14-22-15(25-1-5-28-6-2-25)24-16(23-14)26-3-7-29-8-4-26/h9-10H,1-8H2,(H,21,27)
Affinity DataIC50: 1.70nMAssay Description:Inhibition of mTOR in human A2058 cells assessed as reduction in phosphorylation of S6 at ser235/236 residues after 1 hr by in-cell Western methodMore data for this Ligand-Target Pair
TargetPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform(Homo sapiens (Human))
University of Basel

Curated by ChEMBL
LigandPNGBDBM50240975(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)
Affinity DataIC50: 33nMAssay Description:Inhibition of PI3Kalpha (unknown origin)More data for this Ligand-Target Pair
TargetPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform(Homo sapiens (Human))
University of Basel

Curated by ChEMBL
LigandPNGBDBM50380363(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)
Affinity DataIC50: 45nMAssay Description:Displacement of [3H]baclofen from gamma-aminobutyric-acid B receptorMore data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
University of Basel

Curated by ChEMBL
LigandPNGBDBM50240975(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)
Affinity DataIC50: 89nMAssay Description:Displacement of [3H]baclofen from gamma-aminobutyric-acid B receptorMore data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
University of Basel

Curated by ChEMBL
LigandPNGBDBM50380363(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)
Affinity DataIC50: 94nMAssay Description:Inhibition of mTOR (unknown origin)More data for this Ligand-Target Pair
TargetPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform(Homo sapiens (Human))
University of Basel

Curated by ChEMBL
LigandPNGBDBM50380363(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)
Affinity DataIC50: 110nMAssay Description:Inhibition of PI3Kdelta (unknown origin)More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
University of Basel

Curated by ChEMBL
LigandPNGBDBM50240975(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)
Affinity DataIC50: 205nMAssay Description:Inhibition of mTOR in human A2058 cells assessed as reduction in phosphorylation of S6 at ser235/236 residues after 1 hr by in-cell Western methodMore data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
University of Basel

Curated by ChEMBL
LigandPNGBDBM50240973(CHEMBL4102855)
Show SMILES Nc1ncc(-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)c(n1)C(F)(F)F
Show InChI InChI=1S/C16H19F3N8O2/c17-16(18,19)11-10(9-21-13(20)22-11)12-23-14(26-1-5-28-6-2-26)25-15(24-12)27-3-7-29-8-4-27/h9H,1-8H2,(H2,20,21,22)
Affinity DataIC50: 312nMAssay Description:Inhibition of mTOR in human A2058 cells assessed as reduction in phosphorylation of S6 at ser235/236 residues after 1 hr by in-cell Western methodMore data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
University of Basel

Curated by ChEMBL
LigandPNGBDBM50240984(CHEMBL4068426)
Show SMILES Nc1ccc(cn1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C16H21N7O2/c17-13-2-1-12(11-18-13)14-19-15(22-3-7-24-8-4-22)21-16(20-14)23-5-9-25-10-6-23/h1-2,11H,3-10H2,(H2,17,18)
Affinity DataIC50: 415nMAssay Description:Inhibition of mTOR in human A2058 cells assessed as reduction in phosphorylation of S6 at ser235/236 residues after 1 hr by in-cell Western methodMore data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
University of Basel

Curated by ChEMBL
LigandPNGBDBM50240992(CHEMBL4097282)
Show SMILES Nc1ncc(cn1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C15H20N8O2/c16-13-17-9-11(10-18-13)12-19-14(22-1-5-24-6-2-22)21-15(20-12)23-3-7-25-8-4-23/h9-10H,1-8H2,(H2,16,17,18)
Affinity DataIC50: 415nMAssay Description:Inhibition of mTOR in human A2058 cells assessed as reduction in phosphorylation of S6 at ser235/236 residues after 1 hr by in-cell Western methodMore data for this Ligand-Target Pair
TargetPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform(Homo sapiens (Human))
University of Basel

Curated by ChEMBL
LigandPNGBDBM50240975(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)
Affinity DataIC50: 451nMAssay Description:Displacement of [3H]baclofen from gamma-aminobutyric-acid B receptorMore data for this Ligand-Target Pair
TargetPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform(Homo sapiens (Human))
University of Basel

Curated by ChEMBL
LigandPNGBDBM50380363(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)
Affinity DataIC50: 607nMAssay Description:Displacement of [3H]baclofen from gamma-aminobutyric-acid B receptorMore data for this Ligand-Target Pair
TargetPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform(Homo sapiens (Human))
University of Basel

Curated by ChEMBL
LigandPNGBDBM50240975(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)
Affinity DataIC50: 661nMAssay Description:Displacement of [3H]baclofen from gamma-aminobutyric-acid B receptorMore data for this Ligand-Target Pair
TargetPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform(Homo sapiens (Human))
University of Basel

Curated by ChEMBL
LigandPNGBDBM50240975(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)
Affinity DataIC50: 708nMAssay Description:Inhibition of PI3Kgamma (unknown origin)More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
University of Basel

Curated by ChEMBL
LigandPNGBDBM50240989(CHEMBL4081904)
Show SMILES CC(=O)Nc1cc(c(cn1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1)C(F)(F)F
Show InChI InChI=1S/C19H22F3N7O3/c1-12(30)24-15-10-14(19(20,21)22)13(11-23-15)16-25-17(28-2-6-31-7-3-28)27-18(26-16)29-4-8-32-9-5-29/h10-11H,2-9H2,1H3,(H,23,24,30)
Affinity DataIC50: 729nMAssay Description:Inhibition of mTOR in human A2058 cells assessed as reduction in phosphorylation of S6 at ser235/236 residues after 1 hr by in-cell Western methodMore data for this Ligand-Target Pair
TargetPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform(Homo sapiens (Human))
University of Basel

Curated by ChEMBL
LigandPNGBDBM50380363(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)
Affinity DataIC50: 778nMAssay Description:Displacement of [3H]baclofen from gamma-aminobutyric-acid B receptorMore data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
University of Basel

Curated by ChEMBL
LigandPNGBDBM50240983(CHEMBL4079258)
Show SMILES Nc1cnc(cn1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C15H20N8O2/c16-12-10-17-11(9-18-12)13-19-14(22-1-5-24-6-2-22)21-15(20-13)23-3-7-25-8-4-23/h9-10H,1-8H2,(H2,16,18)
Affinity DataIC50: 817nMAssay Description:Inhibition of mTOR in human A2058 cells assessed as reduction in phosphorylation of S6 at ser235/236 residues after 1 hr by in-cell Western methodMore data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
University of Basel

Curated by ChEMBL
LigandPNGBDBM50240991(CHEMBL4092165)
Show SMILES Cc1nc(N)ncc1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C16H22N8O2/c1-11-12(10-18-14(17)19-11)13-20-15(23-2-6-25-7-3-23)22-16(21-13)24-4-8-26-9-5-24/h10H,2-9H2,1H3,(H2,17,18,19)
Affinity DataIC50: 831nMAssay Description:Inhibition of mTOR in human A2058 cells assessed as reduction in phosphorylation of S6 at ser235/236 residues after 1 hr by in-cell Western methodMore data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
University of Basel

Curated by ChEMBL
LigandPNGBDBM50240977(CHEMBL4071150)
Show SMILES Cc1cc(N)ncc1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C17H23N7O2/c1-12-10-14(18)19-11-13(12)15-20-16(23-2-6-25-7-3-23)22-17(21-15)24-4-8-26-9-5-24/h10-11H,2-9H2,1H3,(H2,18,19)
Affinity DataIC50: 939nMAssay Description:Inhibition of mTOR in human A2058 cells assessed as reduction in phosphorylation of S6 at ser235/236 residues after 1 hr by in-cell Western methodMore data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
University of Basel

Curated by ChEMBL
LigandPNGBDBM50240976(CHEMBL4098203)
Show SMILES Cc1cc(cnc1N)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C17H23N7O2/c1-12-10-13(11-19-14(12)18)15-20-16(23-2-6-25-7-3-23)22-17(21-15)24-4-8-26-9-5-24/h10-11H,2-9H2,1H3,(H2,18,19)
Affinity DataIC50: 1.11E+3nMAssay Description:Inhibition of mTOR in human A2058 cells assessed as reduction in phosphorylation of S6 at ser235/236 residues after 1 hr by in-cell Western methodMore data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
University of Basel

Curated by ChEMBL
LigandPNGBDBM50240985(CHEMBL4089567)
Show SMILES Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C17H22N6O2/c18-14-3-1-13(2-4-14)15-19-16(22-5-9-24-10-6-22)21-17(20-15)23-7-11-25-12-8-23/h1-4H,5-12,18H2
Affinity DataIC50: 1.28E+3nMAssay Description:Inhibition of mTOR in human A2058 cells assessed as reduction in phosphorylation of S6 at ser235/236 residues after 1 hr by in-cell Western methodMore data for this Ligand-Target Pair
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