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Compile Data Set for Download or QSAR

Found 193 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase mTOR'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Serine/threonine-protein kinase mTOR


(Rattus norvegicus)
BDBM50315095
PNG
(1-(4-(4,6-bis((R)-3-methylmorpholino)-1,3,5-triazi...)
Show SMILES C[C@@H]1COCCN1c1nc(nc(n1)-c1ccc(NC(=O)Nc2cccnc2)cc1)N1CCOC[C@H]1C |r|
Show InChI InChI=1S/C25H30N8O3/c1-17-15-35-12-10-32(17)23-29-22(30-24(31-23)33-11-13-36-16-18(33)2)19-5-7-20(8-6-19)27-25(34)28-21-4-3-9-26-14-21/h3-9,14,17-18H,10-13,15-16H2,1-2H3,(H2,27,28,34)/t17-,18-/m1/s1
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of rat brain mTOR assessed as p70S6k-GST protein phosphorylation after 30 mins by ELISA


Bioorg Med Chem Lett 20: 2654-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.029
BindingDB Entry DOI: 10.7270/Q2959HQ5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Rattus norvegicus)
BDBM50315097
PNG
(1-(4-(4,6-bis((R)-3-methylmorpholino)-1,3,5-triazi...)
Show SMILES C[C@@H]1COCCN1c1nc(nc(n1)-c1ccc(NC(=O)Nc2ccncc2)cc1)N1CCOC[C@H]1C |r|
Show InChI InChI=1S/C25H30N8O3/c1-17-15-35-13-11-32(17)23-29-22(30-24(31-23)33-12-14-36-16-18(33)2)19-3-5-20(6-4-19)27-25(34)28-21-7-9-26-10-8-21/h3-10,17-18H,11-16H2,1-2H3,(H2,26,27,28,34)/t17-,18-/m1/s1
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of rat brain mTOR assessed as p70S6k-GST protein phosphorylation after 30 mins by ELISA


Bioorg Med Chem Lett 20: 2654-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.029
BindingDB Entry DOI: 10.7270/Q2959HQ5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Rattus norvegicus)
BDBM50315087
PNG
(1-(4-(4,6-bis((R)-3-methylmorpholino)-1,3,5-triazi...)
Show SMILES C[C@@H]1COCCN1c1nc(nc(n1)-c1ccc(NC(=O)Nc2ccc(cc2)C(=O)N2CCC(CC2)N(C)C)cc1)N1CCOC[C@H]1C |r|
Show InChI InChI=1S/C34H45N9O4/c1-23-21-46-19-17-42(23)32-37-30(38-33(39-32)43-18-20-47-22-24(43)2)25-5-9-27(10-6-25)35-34(45)36-28-11-7-26(8-12-28)31(44)41-15-13-29(14-16-41)40(3)4/h5-12,23-24,29H,13-22H2,1-4H3,(H2,35,36,45)/t23-,24-/m1/s1
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of rat brain mTOR assessed as p70S6k-GST protein phosphorylation after 30 mins by ELISA


Bioorg Med Chem Lett 20: 2654-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.029
BindingDB Entry DOI: 10.7270/Q2959HQ5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Rattus norvegicus)
BDBM50315088
PNG
(4-(3-(4-(4,6-bis((R)-3-methylmorpholino)-1,3,5-tri...)
Show SMILES C[C@@H]1COCCN1c1nc(nc(n1)-c1ccc(NC(=O)Nc2ccc(cc2)C(=O)N(C)C)cc1)N1CCOC[C@H]1C |r|
Show InChI InChI=1S/C29H36N8O4/c1-19-17-40-15-13-36(19)27-32-25(33-28(34-27)37-14-16-41-18-20(37)2)21-5-9-23(10-6-21)30-29(39)31-24-11-7-22(8-12-24)26(38)35(3)4/h5-12,19-20H,13-18H2,1-4H3,(H2,30,31,39)/t19-,20-/m1/s1
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of rat brain mTOR assessed as p70S6k-GST protein phosphorylation after 30 mins by ELISA


Bioorg Med Chem Lett 20: 2654-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.029
BindingDB Entry DOI: 10.7270/Q2959HQ5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Rattus norvegicus)
BDBM50315219
PNG
(1-(4-(4,6-di(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-...)
Show SMILES O=C(Nc1ccncc1)Nc1ccc(cc1)-c1nc(nc(n1)N1CC2CCC(C1)O2)N1CC2CCC(C1)O2 |TLB:18:30:37:33.34,20:22:29:25.26|
Show InChI InChI=1S/C27H30N8O3/c36-27(30-19-9-11-28-12-10-19)29-18-3-1-17(2-4-18)24-31-25(34-13-20-5-6-21(14-34)37-20)33-26(32-24)35-15-22-7-8-23(16-35)38-22/h1-4,9-12,20-23H,5-8,13-16H2,(H2,28,29,30,36)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of rat brain mTOR assessed as p70S6K-GST protein phosphorylation after 30 mins by ELISA


Bioorg Med Chem Lett 20: 2644-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.045
BindingDB Entry DOI: 10.7270/Q2HQ402X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Rattus norvegicus)
BDBM50315096
PNG
((R)-1-(4-(4-(3-methylmorpholino)-6-(tetrahydro-2H-...)
Show SMILES C[C@@H]1COCCN1c1nc(nc(n1)-c1ccc(NC(=O)Nc2cccnc2)cc1)C1CCOCC1 |r|
Show InChI InChI=1S/C25H29N7O3/c1-17-16-35-14-11-32(17)24-30-22(29-23(31-24)19-8-12-34-13-9-19)18-4-6-20(7-5-18)27-25(33)28-21-3-2-10-26-15-21/h2-7,10,15,17,19H,8-9,11-14,16H2,1H3,(H2,27,28,33)/t17-/m1/s1
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of rat brain mTOR assessed as p70S6k-GST protein phosphorylation after 30 mins by ELISA


Bioorg Med Chem Lett 20: 2654-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.029
BindingDB Entry DOI: 10.7270/Q2959HQ5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Rattus norvegicus)
BDBM50315085
PNG
(1-(4-(4,6-bis((R)-3-methylmorpholino)-1,3,5-triazi...)
Show SMILES C[C@@H]1COCCN1c1nc(nc(n1)-c1ccc(NC(=O)Nc2ccc(OCCN(C)C)cc2)cc1)N1CCOC[C@H]1C |r|
Show InChI InChI=1S/C30H40N8O4/c1-21-19-40-16-14-37(21)28-33-27(34-29(35-28)38-15-17-41-20-22(38)2)23-5-7-24(8-6-23)31-30(39)32-25-9-11-26(12-10-25)42-18-13-36(3)4/h5-12,21-22H,13-20H2,1-4H3,(H2,31,32,39)/t21-,22-/m1/s1
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of rat brain mTOR assessed as p70S6k-GST protein phosphorylation after 30 mins by ELISA


Bioorg Med Chem Lett 20: 2654-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.029
BindingDB Entry DOI: 10.7270/Q2959HQ5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Rattus norvegicus)
BDBM50315082
PNG
((R)-1-(4-(4-isopropylpiperazine-1-carbonyl)phenyl)...)
Show SMILES CC(C)N1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOC[C@H]2C)C2CCOCC2)cc1 |r|
Show InChI InChI=1S/C34H44N8O4/c1-23(2)40-14-16-41(17-15-40)32(43)27-6-10-29(11-7-27)36-34(44)35-28-8-4-25(5-9-28)30-37-31(26-12-19-45-20-13-26)39-33(38-30)42-18-21-46-22-24(42)3/h4-11,23-24,26H,12-22H2,1-3H3,(H2,35,36,44)/t24-/m1/s1
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of rat brain mTOR assessed as p70S6k-GST protein phosphorylation after 30 mins by ELISA


Bioorg Med Chem Lett 20: 2654-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.029
BindingDB Entry DOI: 10.7270/Q2959HQ5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Rattus norvegicus)
BDBM50315090
PNG
((R)-1-(4-(4-(3-methylmorpholino)-6-(tetrahydro-2H-...)
Show SMILES C[C@@H]1COCCN1c1nc(nc(n1)-c1ccc(NC(=O)Nc2ccc(cc2)N2CCN(C)CC2)cc1)C1CCOCC1 |r|
Show InChI InChI=1S/C31H40N8O3/c1-22-21-42-20-17-39(22)30-35-28(34-29(36-30)24-11-18-41-19-12-24)23-3-5-25(6-4-23)32-31(40)33-26-7-9-27(10-8-26)38-15-13-37(2)14-16-38/h3-10,22,24H,11-21H2,1-2H3,(H2,32,33,40)/t22-/m1/s1
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of rat brain mTOR assessed as p70S6k-GST protein phosphorylation after 30 mins by ELISA


Bioorg Med Chem Lett 20: 2654-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.029
BindingDB Entry DOI: 10.7270/Q2959HQ5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Rattus norvegicus)
BDBM50315091
PNG
((R)-1-(4-(4-(3-methylmorpholino)-6-(tetrahydro-2H-...)
Show SMILES C[C@@H]1COCCN1c1nc(nc(n1)-c1ccc(NC(=O)Nc2ccc(cc2)N2CCNCC2)cc1)C1CCOCC1 |r|
Show InChI InChI=1S/C30H38N8O3/c1-21-20-41-19-16-38(21)29-35-27(34-28(36-29)23-10-17-40-18-11-23)22-2-4-24(5-3-22)32-30(39)33-25-6-8-26(9-7-25)37-14-12-31-13-15-37/h2-9,21,23,31H,10-20H2,1H3,(H2,32,33,39)/t21-/m1/s1
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of rat brain mTOR assessed as p70S6k-GST protein phosphorylation after 30 mins by ELISA


Bioorg Med Chem Lett 20: 2654-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.029
BindingDB Entry DOI: 10.7270/Q2959HQ5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR (mTOR)


(Mus musculus (Mouse))
BDBM50328603
PNG
(1-(4-(4-(cyclopropanecarbonyl)piperazin-1-yl)-3-(t...)
Show SMILES FC(F)(F)c1cc(ccc1N1CCN(CC1)C(=O)C1CC1)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnc2ccccc2c1
Show InChI InChI=1S/C36H28F3N5O2/c37-36(38,39)29-19-27(9-11-32(29)42-13-15-43(16-14-42)35(46)22-5-6-22)44-33(45)12-8-25-20-41-31-10-7-23(18-28(31)34(25)44)26-17-24-3-1-2-4-30(24)40-21-26/h1-4,7-12,17-22H,5-6,13-16H2
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Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of mTOR in p53-deficient MEF assessed as phosphorylation of S6K1 at Thr389 by immunoblotting


J Med Chem 53: 7146-55 (2010)


Article DOI: 10.1021/jm101144f
BindingDB Entry DOI: 10.7270/Q2M32W0R
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Rattus norvegicus)
BDBM50315093
PNG
((R)-1-(4-(4-(3-methylmorpholino)-6-(tetrahydro-2H-...)
Show SMILES C[C@@H]1COCCN1c1nc(nc(n1)-c1ccc(NC(=O)Nc2ccc(cc2)C(=O)N2CCN(C)CC2)cc1)C1CCOCC1 |r|
Show InChI InChI=1S/C32H40N8O4/c1-22-21-44-20-17-40(22)31-36-28(35-29(37-31)24-11-18-43-19-12-24)23-3-7-26(8-4-23)33-32(42)34-27-9-5-25(6-10-27)30(41)39-15-13-38(2)14-16-39/h3-10,22,24H,11-21H2,1-2H3,(H2,33,34,42)/t22-/m1/s1
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of rat brain mTOR assessed as p70S6k-GST protein phosphorylation after 30 mins by ELISA


Bioorg Med Chem Lett 20: 2654-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.029
BindingDB Entry DOI: 10.7270/Q2959HQ5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Rattus norvegicus)
BDBM50315047
PNG
(1-(4-(4,6-di(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-...)
Show SMILES CN1CCN(CC1)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2C3CCC2COC3)N2C3CCC2COC3)cc1
Show InChI InChI=1S/C33H41N9O3/c1-39-14-16-40(17-15-39)25-8-6-24(7-9-25)35-33(43)34-23-4-2-22(3-5-23)30-36-31(41-26-10-11-27(41)19-44-18-26)38-32(37-30)42-28-12-13-29(42)21-45-20-28/h2-9,26-29H,10-21H2,1H3,(H2,34,35,43)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of rat brain mTOR assessed as p70S6K-GST protein phosphorylation after 30 mins by ELISA


Bioorg Med Chem Lett 20: 2644-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.045
BindingDB Entry DOI: 10.7270/Q2HQ402X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Rattus norvegicus)
BDBM50315099
PNG
(1-(4-(4,6-bis((R)-3-methylmorpholino)-1,3,5-triazi...)
Show SMILES C[C@@H]1COCCN1c1nc(nc(n1)-c1ccc(NC(=O)Nc2ccc(cc2)N2CCN(C)CC2)cc1)N1CCOC[C@H]1C |r|
Show InChI InChI=1S/C31H41N9O3/c1-22-20-42-18-16-39(22)29-34-28(35-30(36-29)40-17-19-43-21-23(40)2)24-4-6-25(7-5-24)32-31(41)33-26-8-10-27(11-9-26)38-14-12-37(3)13-15-38/h4-11,22-23H,12-21H2,1-3H3,(H2,32,33,41)/t22-,23-/m1/s1
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of rat brain mTOR assessed as p70S6k-GST protein phosphorylation after 30 mins by ELISA


Bioorg Med Chem Lett 20: 2654-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.029
BindingDB Entry DOI: 10.7270/Q2959HQ5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Rattus norvegicus)
BDBM50315209
PNG
(1-(4-(4,6-di(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-...)
Show SMILES CN1CCN(CC1)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CC3CCC(C2)O3)N2CC3CCC(C2)O3)cc1 |TLB:25:27:34:30.31,23:35:42:38.39|
Show InChI InChI=1S/C33H41N9O3/c1-39-14-16-40(17-15-39)25-8-6-24(7-9-25)35-33(43)34-23-4-2-22(3-5-23)30-36-31(41-18-26-10-11-27(19-41)44-26)38-32(37-30)42-20-28-12-13-29(21-42)45-28/h2-9,26-29H,10-21H2,1H3,(H2,34,35,43)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of rat brain mTOR assessed as p70S6K-GST protein phosphorylation after 30 mins by ELISA


Bioorg Med Chem Lett 20: 2644-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.045
BindingDB Entry DOI: 10.7270/Q2HQ402X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Rattus norvegicus)
BDBM50315086
PNG
(1-(4-(4,6-bis((R)-3-methylmorpholino)-1,3,5-triazi...)
Show SMILES C[C@@H]1COCCN1c1nc(nc(n1)-c1ccc(NC(=O)Nc2ccc(cc2)C(=O)N2CCN(C)CC2)cc1)N1CCOC[C@H]1C |r|
Show InChI InChI=1S/C32H41N9O4/c1-22-20-44-18-16-40(22)30-35-28(36-31(37-30)41-17-19-45-21-23(41)2)24-4-8-26(9-5-24)33-32(43)34-27-10-6-25(7-11-27)29(42)39-14-12-38(3)13-15-39/h4-11,22-23H,12-21H2,1-3H3,(H2,33,34,43)/t22-,23-/m1/s1
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of rat brain mTOR assessed as p70S6k-GST protein phosphorylation after 30 mins by ELISA


Bioorg Med Chem Lett 20: 2654-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.029
BindingDB Entry DOI: 10.7270/Q2959HQ5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Rattus norvegicus)
BDBM50315098
PNG
(1-(4-(4,6-bis((R)-3-methylmorpholino)-1,3,5-triazi...)
Show SMILES C[C@@H]1COCCN1c1nc(nc(n1)-c1ccc(NC(=O)Nc2ccc(nc2)N2CCN(C)CC2)cc1)N1CCOC[C@H]1C |r|
Show InChI InChI=1S/C30H40N10O3/c1-21-19-42-16-14-39(21)28-34-27(35-29(36-28)40-15-17-43-20-22(40)2)23-4-6-24(7-5-23)32-30(41)33-25-8-9-26(31-18-25)38-12-10-37(3)11-13-38/h4-9,18,21-22H,10-17,19-20H2,1-3H3,(H2,32,33,41)/t21-,22-/m1/s1
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of rat brain mTOR assessed as p70S6k-GST protein phosphorylation after 30 mins by ELISA


Bioorg Med Chem Lett 20: 2654-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.029
BindingDB Entry DOI: 10.7270/Q2959HQ5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Rattus norvegicus)
BDBM50315092
PNG
((R)-1-(4-(4-(dimethylamino)piperidin-1-yl)phenyl)-...)
Show SMILES C[C@@H]1COCCN1c1nc(nc(n1)-c1ccc(NC(=O)Nc2ccc(cc2)N2CCC(CC2)N(C)C)cc1)C1CCOCC1 |r|
Show InChI InChI=1S/C33H44N8O3/c1-23-22-44-21-18-41(23)32-37-30(36-31(38-32)25-14-19-43-20-15-25)24-4-6-26(7-5-24)34-33(42)35-27-8-10-29(11-9-27)40-16-12-28(13-17-40)39(2)3/h4-11,23,25,28H,12-22H2,1-3H3,(H2,34,35,42)/t23-/m1/s1
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of rat brain mTOR assessed as p70S6k-GST protein phosphorylation after 30 mins by ELISA


Bioorg Med Chem Lett 20: 2654-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.029
BindingDB Entry DOI: 10.7270/Q2959HQ5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Rattus norvegicus)
BDBM50315083
PNG
(1-(4-(4,6-bis((R)-3-methylmorpholino)-1,3,5-triazi...)
Show SMILES C[C@@H]1COCCN1c1nc(nc(n1)-c1ccc(NC(=O)Nc2ccc(cc2)N2CCC(CC2)N(C)C)cc1)N1CCOC[C@H]1C |r|
Show InChI InChI=1S/C33H45N9O3/c1-23-21-44-19-17-41(23)31-36-30(37-32(38-31)42-18-20-45-22-24(42)2)25-5-7-26(8-6-25)34-33(43)35-27-9-11-29(12-10-27)40-15-13-28(14-16-40)39(3)4/h5-12,23-24,28H,13-22H2,1-4H3,(H2,34,35,43)/t23-,24-/m1/s1
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of rat brain mTOR assessed as p70S6k-GST protein phosphorylation after 30 mins by ELISA


Bioorg Med Chem Lett 20: 2654-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.029
BindingDB Entry DOI: 10.7270/Q2959HQ5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Rattus norvegicus)
BDBM50315084
PNG
(1-(4-(4,6-bis((R)-3-methylmorpholino)-1,3,5-triazi...)
Show SMILES C[C@@H]1COCCN1c1nc(nc(n1)-c1ccc(NC(=O)Nc2ccc(CN(C)C)cc2)cc1)N1CCOC[C@H]1C |r|
Show InChI InChI=1S/C29H38N8O3/c1-20-18-39-15-13-36(20)27-32-26(33-28(34-27)37-14-16-40-19-21(37)2)23-7-11-25(12-8-23)31-29(38)30-24-9-5-22(6-10-24)17-35(3)4/h5-12,20-21H,13-19H2,1-4H3,(H2,30,31,38)/t20-,21-/m1/s1
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of rat brain mTOR assessed as p70S6k-GST protein phosphorylation after 30 mins by ELISA


Bioorg Med Chem Lett 20: 2654-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.029
BindingDB Entry DOI: 10.7270/Q2959HQ5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR (mTOR)


(Mus musculus (Mouse))
BDBM50328584
PNG
(1-(4-(4-Propionylpiperazin-1-yl)-3-(trifluoromethy...)
Show SMILES CCC(=O)N1CCN(CC1)c1ccc(cc1C(F)(F)F)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnc2ccccc2c1
Show InChI InChI=1S/C35H28F3N5O2/c1-2-32(44)42-15-13-41(14-16-42)31-11-9-26(19-28(31)35(36,37)38)43-33(45)12-8-24-20-40-30-10-7-22(18-27(30)34(24)43)25-17-23-5-3-4-6-29(23)39-21-25/h3-12,17-21H,2,13-16H2,1H3
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Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of mTOR in p53-deficient MEF assessed as phosphorylation of S6K1 at Thr389 by immunoblotting


J Med Chem 53: 7146-55 (2010)


Article DOI: 10.1021/jm101144f
BindingDB Entry DOI: 10.7270/Q2M32W0R
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Rattus norvegicus)
BDBM50315212
PNG
(1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-(3...)
Show SMILES CN1CCN(CC1)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CC3CCC(C2)O3)N2C3CCC2COC3)cc1 |TLB:25:27:34:30.31|
Show InChI InChI=1S/C33H41N9O3/c1-39-14-16-40(17-15-39)25-8-6-24(7-9-25)35-33(43)34-23-4-2-22(3-5-23)30-36-31(41-18-28-12-13-29(19-41)45-28)38-32(37-30)42-26-10-11-27(42)21-44-20-26/h2-9,26-29H,10-21H2,1H3,(H2,34,35,43)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of rat brain mTOR assessed as p70S6K-GST protein phosphorylation after 30 mins by ELISA


Bioorg Med Chem Lett 20: 2644-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.045
BindingDB Entry DOI: 10.7270/Q2HQ402X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Rattus norvegicus)
BDBM50315089
PNG
((R)-1-(4-(4-(3-methylmorpholino)-6-(tetrahydro-2H-...)
Show SMILES C[C@@H]1COCCN1c1nc(nc(n1)-c1ccc(NC(=O)Nc2ccc(nc2)N2CCN(C)CC2)cc1)C1CCOCC1 |r|
Show InChI InChI=1S/C30H39N9O3/c1-21-20-42-18-15-39(21)29-35-27(34-28(36-29)23-9-16-41-17-10-23)22-3-5-24(6-4-22)32-30(40)33-25-7-8-26(31-19-25)38-13-11-37(2)12-14-38/h3-8,19,21,23H,9-18,20H2,1-2H3,(H2,32,33,40)/t21-/m1/s1
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of rat brain mTOR assessed as p70S6k-GST protein phosphorylation after 30 mins by ELISA


Bioorg Med Chem Lett 20: 2654-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.029
BindingDB Entry DOI: 10.7270/Q2959HQ5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Rattus norvegicus)
BDBM50315216
PNG
(1-(4-(4,6-di(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-...)
Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(nc(n1)N1CC2CCC(C1)O2)N1CC2CCC(C1)O2 |TLB:15:17:24:20.21,13:25:32:28.29|
Show InChI InChI=1S/C23H29N7O3/c1-24-23(31)25-15-4-2-14(3-5-15)20-26-21(29-10-16-6-7-17(11-29)32-16)28-22(27-20)30-12-18-8-9-19(13-30)33-18/h2-5,16-19H,6-13H2,1H3,(H2,24,25,31)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of rat brain mTOR assessed as p70S6K-GST protein phosphorylation after 30 mins by ELISA


Bioorg Med Chem Lett 20: 2644-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.045
BindingDB Entry DOI: 10.7270/Q2HQ402X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Rattus norvegicus)
BDBM50315218
PNG
(1-cyclopropyl-3-(4-(4,6-di(8-oxa-3-azabicyclo[3.2....)
Show SMILES O=C(NC1CC1)Nc1ccc(cc1)-c1nc(nc(n1)N1CC2CCC(C1)O2)N1CC2CCC(C1)O2 |TLB:17:19:26:22.23,15:27:34:30.31|
Show InChI InChI=1S/C25H31N7O3/c33-25(27-17-5-6-17)26-16-3-1-15(2-4-16)22-28-23(31-11-18-7-8-19(12-31)34-18)30-24(29-22)32-13-20-9-10-21(14-32)35-20/h1-4,17-21H,5-14H2,(H2,26,27,33)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of rat brain mTOR assessed as p70S6K-GST protein phosphorylation after 30 mins by ELISA


Bioorg Med Chem Lett 20: 2644-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.045
BindingDB Entry DOI: 10.7270/Q2HQ402X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Rattus norvegicus)
BDBM50315217
PNG
(1-(4-(4,6-di(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-...)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc(nc(n1)N1CC2CCC(C1)O2)N1CC2CCC(C1)O2 |TLB:16:18:25:21.22,14:26:33:29.30|
Show InChI InChI=1S/C24H31N7O3/c1-2-25-24(32)26-16-5-3-15(4-6-16)21-27-22(30-11-17-7-8-18(12-30)33-17)29-23(28-21)31-13-19-9-10-20(14-31)34-19/h3-6,17-20H,2,7-14H2,1H3,(H2,25,26,32)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of rat brain mTOR assessed as p70S6K-GST protein phosphorylation after 30 mins by ELISA


Bioorg Med Chem Lett 20: 2644-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.045
BindingDB Entry DOI: 10.7270/Q2HQ402X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR (mTOR)


(Mus musculus (Mouse))
BDBM50328616
PNG
(1-(4-(4-Acetylpiperazin-1-yl)-3-(trifluoromethyl)p...)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(cc1C(F)(F)F)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnc2ccccc2c1
Show InChI InChI=1S/C34H26F3N5O2/c1-21(43)40-12-14-41(15-13-40)31-10-8-26(18-28(31)34(35,36)37)42-32(44)11-7-24-19-39-30-9-6-22(17-27(30)33(24)42)25-16-23-4-2-3-5-29(23)38-20-25/h2-11,16-20H,12-15H2,1H3
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Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of mTOR in p53-deficient MEF assessed as phosphorylation of S6K1 at Thr389 by immunoblotting


J Med Chem 53: 7146-55 (2010)


Article DOI: 10.1021/jm101144f
BindingDB Entry DOI: 10.7270/Q2M32W0R
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Rattus norvegicus)
BDBM50315094
PNG
(1-(4-(4-((1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5...)
Show SMILES C[C@@H]1COCCN1c1nc(nc(n1)-c1ccc(NC(=O)Nc2cccnc2)cc1)N1C[C@@H]2C[C@H]1CO2 |r|
Show InChI InChI=1S/C25H28N8O3/c1-16-14-35-10-9-32(16)23-29-22(30-24(31-23)33-13-21-11-20(33)15-36-21)17-4-6-18(7-5-17)27-25(34)28-19-3-2-8-26-12-19/h2-8,12,16,20-21H,9-11,13-15H2,1H3,(H2,27,28,34)/t16-,20+,21+/m1/s1
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of rat brain mTOR assessed as p70S6k-GST protein phosphorylation after 30 mins by ELISA


Bioorg Med Chem Lett 20: 2654-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.029
BindingDB Entry DOI: 10.7270/Q2959HQ5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR (mTOR)


(Mus musculus (Mouse))
BDBM50328605
PNG
(1-(4-(4-(2-(4-methylpiperazin-1-yl)acetyl)piperazi...)
Show SMILES CN1CCN(CC(=O)N2CCN(CC2)c2ccc(cc2C(F)(F)F)-n2c3c(ccc2=O)cnc2ccc(cc32)-c2cnc3ccccc3c2)CC1
Show InChI InChI=1S/C39H36F3N7O2/c1-45-12-14-46(15-13-45)25-37(51)48-18-16-47(17-19-48)35-10-8-30(22-32(35)39(40,41)42)49-36(50)11-7-28-23-44-34-9-6-26(21-31(34)38(28)49)29-20-27-4-2-3-5-33(27)43-24-29/h2-11,20-24H,12-19,25H2,1H3
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Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of mTOR in p53-deficient MEF assessed as phosphorylation of S6K1 at Thr389 by immunoblotting


J Med Chem 53: 7146-55 (2010)


Article DOI: 10.1021/jm101144f
BindingDB Entry DOI: 10.7270/Q2M32W0R
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR (mTOR)


(Mus musculus (Mouse))
BDBM50328609
PNG
(1-(4-(1-(2-morpholinoacetyl)piperidin-4-yl)-3-(tri...)
Show SMILES FC(F)(F)c1cc(ccc1C1CCN(CC1)C(=O)CN1CCOCC1)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnc2ccccc2c1
Show InChI InChI=1S/C39H34F3N5O3/c40-39(41,42)33-21-30(7-8-31(33)25-11-13-46(14-12-25)37(49)24-45-15-17-50-18-16-45)47-36(48)10-6-28-22-44-35-9-5-26(20-32(35)38(28)47)29-19-27-3-1-2-4-34(27)43-23-29/h1-10,19-23,25H,11-18,24H2
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Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of mTOR in p53-deficient MEF assessed as phosphorylation of S6K1 at Thr389 by immunoblotting


J Med Chem 53: 7146-55 (2010)


Article DOI: 10.1021/jm101144f
BindingDB Entry DOI: 10.7270/Q2M32W0R
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR (mTOR)


(Mus musculus (Mouse))
BDBM50328607
PNG
(1-(4'-(4-methylpiperazine-1-carbonyl)-2-(trifluoro...)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc(cc1C(F)(F)F)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnc2ccccc2c1
Show InChI InChI=1S/C40H30F3N5O2/c1-46-16-18-47(19-17-46)39(50)26-8-6-25(7-9-26)32-13-12-31(22-34(32)40(41,42)43)48-37(49)15-11-29-23-45-36-14-10-27(21-33(36)38(29)48)30-20-28-4-2-3-5-35(28)44-24-30/h2-15,20-24H,16-19H2,1H3
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Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of mTOR in p53-deficient MEF assessed as phosphorylation of S6K1 at Thr389 by immunoblotting


J Med Chem 53: 7146-55 (2010)


Article DOI: 10.1021/jm101144f
BindingDB Entry DOI: 10.7270/Q2M32W0R
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR (mTOR)


(Mus musculus (Mouse))
BDBM50328608
PNG
(1-(4-(1-propionyl-1,2,3,6-tetrahydropyridin-4-yl)-...)
Show SMILES CCC(=O)N1CCC(=CC1)c1ccc(cc1C(F)(F)F)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnc2ccccc2c1 |c:7|
Show InChI InChI=1S/C36H27F3N4O2/c1-2-33(44)42-15-13-22(14-16-42)28-10-9-27(19-30(28)36(37,38)39)43-34(45)12-8-25-20-41-32-11-7-23(18-29(32)35(25)43)26-17-24-5-3-4-6-31(24)40-21-26/h3-13,17-21H,2,14-16H2,1H3
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Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of mTOR in p53-deficient MEF assessed as phosphorylation of S6K1 at Thr389 by immunoblotting


J Med Chem 53: 7146-55 (2010)


Article DOI: 10.1021/jm101144f
BindingDB Entry DOI: 10.7270/Q2M32W0R
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Rattus norvegicus)
BDBM50315211
PNG
(1-(4-(4,6-di((1S,4S)-2-oxa-5-azabicyclo[2.2.1]hept...)
Show SMILES CN1CCN(CC1)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2C[C@@H]3C[C@H]2CO3)N2C[C@@H]3C[C@H]2CO3)cc1 |r,TLB:23:34:37:39.40,25:27:30:32.33|
Show InChI InChI=1S/C31H37N9O3/c1-37-10-12-38(13-11-37)23-8-6-22(7-9-23)33-31(41)32-21-4-2-20(3-5-21)28-34-29(39-16-26-14-24(39)18-42-26)36-30(35-28)40-17-27-15-25(40)19-43-27/h2-9,24-27H,10-19H2,1H3,(H2,32,33,41)/t24-,25-,26-,27-/m0/s1
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of rat brain mTOR assessed as p70S6K-GST protein phosphorylation after 30 mins by ELISA


Bioorg Med Chem Lett 20: 2644-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.045
BindingDB Entry DOI: 10.7270/Q2HQ402X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR (mTOR)


(Mus musculus (Mouse))
BDBM50328599
PNG
(1-(4-morpholino-3-(trifluoromethyl)phenyl)-9-(quin...)
Show SMILES FC(F)(F)c1cc(ccc1N1CCOCC1)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnc2ccccc2c1
Show InChI InChI=1S/C32H23F3N4O2/c33-32(34,35)26-17-24(7-9-29(26)38-11-13-41-14-12-38)39-30(40)10-6-22-18-37-28-8-5-20(16-25(28)31(22)39)23-15-21-3-1-2-4-27(21)36-19-23/h1-10,15-19H,11-14H2
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n/an/a 35n/an/an/an/an/an/a



Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of mTOR in p53-deficient MEF assessed as phosphorylation of S6K1 at Thr389 by immunoblotting


J Med Chem 53: 7146-55 (2010)


Article DOI: 10.1021/jm101144f
BindingDB Entry DOI: 10.7270/Q2M32W0R
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM251623
PNG
(US9453031, 46)
Show SMILES COc1cc(-c2nc3N4CCOC[C@H]4COc3c(n2)C(C)(C)O)c2cc[nH]c2c1 |r|
Show InChI InChI=1/C21H24N4O4/c1-21(2,26)18-17-20(25-6-7-28-10-12(25)11-29-17)24-19(23-18)15-8-13(27-3)9-16-14(15)4-5-22-16/h4-5,8-9,12,22,26H,6-7,10-11H2,1-3H3/t12-/s2
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n/an/a 38n/an/an/an/a7.525



Fundación Centro Nacional de Investigaciones Oncológicas Carlos III

US Patent


Assay Description
The enzymatic mTOR activity was measured using a LanthaScreen kinase activity assay (Invitrogen). The enzyme was purchased from Invitrogen (PV4754), ...


US Patent US9453031 (2016)


BindingDB Entry DOI: 10.7270/Q27H1HH8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR (mTOR)


(Mus musculus (Mouse))
BDBM50328596
PNG
(9-(benzo[d][1,3]dioxol-5-yl)-1-(4-(piperazin-1-yl)...)
Show SMILES FC(F)(F)c1cc(ccc1N1CCNCC1)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1ccc2OCOc2c1
Show InChI InChI=1S/C30H23F3N4O3/c31-30(32,33)23-15-21(4-6-25(23)36-11-9-34-10-12-36)37-28(38)8-3-20-16-35-24-5-1-18(13-22(24)29(20)37)19-2-7-26-27(14-19)40-17-39-26/h1-8,13-16,34H,9-12,17H2
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Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of mTOR in p53-deficient MEF assessed as phosphorylation of S6K1 at Thr389 by immunoblotting


J Med Chem 53: 7146-55 (2010)


Article DOI: 10.1021/jm101144f
BindingDB Entry DOI: 10.7270/Q2M32W0R
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR (mTOR)


(Mus musculus (Mouse))
BDBM50328588
PNG
(1-(4-(piperazin-1-yl)-3-(trifluoromethyl)phenyl)-9...)
Show SMILES FC(F)(F)c1cc(ccc1N1CCNCC1)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnc2ccccc2c1
Show InChI InChI=1S/C32H24F3N5O/c33-32(34,35)26-17-24(7-9-29(26)39-13-11-36-12-14-39)40-30(41)10-6-22-18-38-28-8-5-20(16-25(28)31(22)40)23-15-21-3-1-2-4-27(21)37-19-23/h1-10,15-19,36H,11-14H2
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Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of mTOR in p53-deficient MEF assessed as phosphorylation of S6K1 at Thr389 by immunoblotting


J Med Chem 53: 7146-55 (2010)


Article DOI: 10.1021/jm101144f
BindingDB Entry DOI: 10.7270/Q2M32W0R
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM251621
PNG
(US9453031, 44)
Show SMILES CC(C)(O)c1nc(nc2N3CCOC[C@H]3COc12)-c1cccc2[nH]ccc12 |r|
Show InChI InChI=1/C20H22N4O3/c1-20(2,25)17-16-19(24-8-9-26-10-12(24)11-27-16)23-18(22-17)14-4-3-5-15-13(14)6-7-21-15/h3-7,12,21,25H,8-11H2,1-2H3/t12-/s2
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n/an/a 44n/an/an/an/a7.525



Fundación Centro Nacional de Investigaciones Oncológicas Carlos III

US Patent


Assay Description
The enzymatic mTOR activity was measured using a LanthaScreen kinase activity assay (Invitrogen). The enzyme was purchased from Invitrogen (PV4754), ...


US Patent US9453031 (2016)


BindingDB Entry DOI: 10.7270/Q27H1HH8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Rattus norvegicus)
BDBM50315214
PNG
(3,3'-(6-(2-(difluoromethyl)-1H-benzo[d]imidazol-1-...)
Show SMILES FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CC2CCC(C1)O2)N1CC2CCC(C1)O2 |TLB:16:18:25:21.22,14:26:33:29.30|
Show InChI InChI=1S/C23H25F2N7O2/c24-19(25)20-26-17-3-1-2-4-18(17)32(20)23-28-21(30-9-13-5-6-14(10-30)33-13)27-22(29-23)31-11-15-7-8-16(12-31)34-15/h1-4,13-16,19H,5-12H2
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of rat brain mTOR assessed as p70S6K-GST protein phosphorylation after 30 mins by ELISA


Bioorg Med Chem Lett 20: 2644-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.045
BindingDB Entry DOI: 10.7270/Q2HQ402X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Rattus norvegicus)
BDBM50315213
PNG
(2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-t...)
Show SMILES FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C19H21F2N7O2/c20-15(21)16-22-13-3-1-2-4-14(13)28(16)19-24-17(26-5-9-29-10-6-26)23-18(25-19)27-7-11-30-12-8-27/h1-4,15H,5-12H2
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n/an/a 45n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of rat brain mTOR assessed as p70S6K-GST protein phosphorylation after 30 mins by ELISA


Bioorg Med Chem Lett 20: 2644-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.045
BindingDB Entry DOI: 10.7270/Q2HQ402X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM251635
PNG
(US9453031, 72)
Show SMILES COc1cc(-c2nc3N4CCOC[C@H]4COc3c(n2)C(C)(C)S(C)(=O)=O)c2cc[nH]c2c1 |r|
Show InChI InChI=1/C22H26N4O5S/c1-22(2,32(4,27)28)19-18-21(26-7-8-30-11-13(26)12-31-18)25-20(24-19)16-9-14(29-3)10-17-15(16)5-6-23-17/h5-6,9-10,13,23H,7-8,11-12H2,1-4H3/t13-/s2
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n/an/a 45.3n/an/an/an/a7.525



Fundación Centro Nacional de Investigaciones Oncológicas Carlos III

US Patent


Assay Description
The enzymatic mTOR activity was measured using a LanthaScreen kinase activity assay (Invitrogen). The enzyme was purchased from Invitrogen (PV4754), ...


US Patent US9453031 (2016)


BindingDB Entry DOI: 10.7270/Q27H1HH8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM251641
PNG
(US9453031, 78)
Show SMILES COc1cc(-c2nc3N4CCOC[C@H]4COc3c(n2)C2(CCC2)S(C)(=O)=O)c2cc[nH]c2c1 |r|
Show InChI InChI=1/C23H26N4O5S/c1-30-15-10-17(16-4-7-24-18(16)11-15)21-25-20(23(5-3-6-23)33(2,28)29)19-22(26-21)27-8-9-31-12-14(27)13-32-19/h4,7,10-11,14,24H,3,5-6,8-9,12-13H2,1-2H3/t14-/s2
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n/an/a 47n/an/an/an/a7.525



Fundación Centro Nacional de Investigaciones Oncológicas Carlos III

US Patent


Assay Description
The enzymatic mTOR activity was measured using a LanthaScreen kinase activity assay (Invitrogen). The enzyme was purchased from Invitrogen (PV4754), ...


US Patent US9453031 (2016)


BindingDB Entry DOI: 10.7270/Q27H1HH8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR (mTOR)


(Mus musculus (Mouse))
BDBM50328604
PNG
(1-(4-(4-(3-(dimethylamino)propanoyl)piperazin-1-yl...)
Show SMILES CN(C)CCC(=O)N1CCN(CC1)c1ccc(cc1C(F)(F)F)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnc2ccccc2c1
Show InChI InChI=1S/C37H33F3N6O2/c1-43(2)14-13-34(47)45-17-15-44(16-18-45)33-11-9-28(21-30(33)37(38,39)40)46-35(48)12-8-26-22-42-32-10-7-24(20-29(32)36(26)46)27-19-25-5-3-4-6-31(25)41-23-27/h3-12,19-23H,13-18H2,1-2H3
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Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of mTOR in p53-deficient MEF assessed as phosphorylation of S6K1 at Thr389 by immunoblotting


J Med Chem 53: 7146-55 (2010)


Article DOI: 10.1021/jm101144f
BindingDB Entry DOI: 10.7270/Q2M32W0R
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM251622
PNG
(US9453031, 45)
Show SMILES CC(C)(O)c1nc(nc2N3CCOC[C@H]3COc12)-c1cc(F)cc2[nH]ccc12 |r|
Show InChI InChI=1/C20H21FN4O3/c1-20(2,26)17-16-19(25-5-6-27-9-12(25)10-28-16)24-18(23-17)14-7-11(21)8-15-13(14)3-4-22-15/h3-4,7-8,12,22,26H,5-6,9-10H2,1-2H3/t12-/s2
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n/an/a 53n/an/an/an/a7.525



Fundación Centro Nacional de Investigaciones Oncológicas Carlos III

US Patent


Assay Description
The enzymatic mTOR activity was measured using a LanthaScreen kinase activity assay (Invitrogen). The enzyme was purchased from Invitrogen (PV4754), ...


US Patent US9453031 (2016)


BindingDB Entry DOI: 10.7270/Q27H1HH8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM251652
PNG
(US9453031, 103)
Show SMILES Cc1cc2c(cccc2[nH]1)-c1nc2N3CCOC[C@H]3COc2c(n1)C(C)(C)S(C)(=O)=O |r|
Show InChI InChI=1/C22H26N4O4S/c1-13-10-16-15(6-5-7-17(16)23-13)20-24-19(22(2,3)31(4,27)28)18-21(25-20)26-8-9-29-11-14(26)12-30-18/h5-7,10,14,23H,8-9,11-12H2,1-4H3/t14-/s2
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Fundación Centro Nacional de Investigaciones Oncológicas Carlos III

US Patent


Assay Description
The enzymatic mTOR activity was measured using a LanthaScreen kinase activity assay (Invitrogen). The enzyme was purchased from Invitrogen (PV4754), ...


US Patent US9453031 (2016)


BindingDB Entry DOI: 10.7270/Q27H1HH8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Rattus norvegicus)
BDBM50315215
PNG
(3-(4-(2-(difluoromethyl)-1H-benzo[d]imidazol-1-yl)...)
Show SMILES FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CC2CCC(C1)O2)N1CCOCC1 |TLB:16:18:25:21.22|
Show InChI InChI=1S/C21H23F2N7O2/c22-17(23)18-24-15-3-1-2-4-16(15)30(18)21-26-19(28-7-9-31-10-8-28)25-20(27-21)29-11-13-5-6-14(12-29)32-13/h1-4,13-14,17H,5-12H2
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of rat brain mTOR assessed as p70S6K-GST protein phosphorylation after 30 mins by ELISA


Bioorg Med Chem Lett 20: 2644-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.045
BindingDB Entry DOI: 10.7270/Q2HQ402X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM251638
PNG
(US9453031, 75)
Show SMILES COc1cc(-c2nc3N4CCOC[C@H]4COc3c(n2)C2(CC2)S(C)(=O)=O)c2cc[nH]c2c1 |r|
Show InChI InChI=1/C22H24N4O5S/c1-29-14-9-16(15-3-6-23-17(15)10-14)20-24-19(22(4-5-22)32(2,27)28)18-21(25-20)26-7-8-30-11-13(26)12-31-18/h3,6,9-10,13,23H,4-5,7-8,11-12H2,1-2H3/t13-/s2
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n/an/a 93n/an/an/an/a7.525



Fundación Centro Nacional de Investigaciones Oncológicas Carlos III

US Patent


Assay Description
The enzymatic mTOR activity was measured using a LanthaScreen kinase activity assay (Invitrogen). The enzyme was purchased from Invitrogen (PV4754), ...


US Patent US9453031 (2016)


BindingDB Entry DOI: 10.7270/Q27H1HH8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM251634
PNG
(US9453031, 71)
Show SMILES CC(C)(c1nc(nc2N3CCOC[C@H]3COc12)-c1cc(F)cc2[nH]ccc12)S(C)(=O)=O |r|
Show InChI InChI=1/C21H23FN4O4S/c1-21(2,31(3,27)28)18-17-20(26-6-7-29-10-13(26)11-30-17)25-19(24-18)15-8-12(22)9-16-14(15)4-5-23-16/h4-5,8-9,13,23H,6-7,10-11H2,1-3H3/t13-/s2
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n/an/a 99.3n/an/an/an/a7.525



Fundación Centro Nacional de Investigaciones Oncológicas Carlos III

US Patent


Assay Description
The enzymatic mTOR activity was measured using a LanthaScreen kinase activity assay (Invitrogen). The enzyme was purchased from Invitrogen (PV4754), ...


US Patent US9453031 (2016)


BindingDB Entry DOI: 10.7270/Q27H1HH8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR (mTOR)


(Mus musculus (Mouse))
BDBM50328589
PNG
(9-(4-methoxyphenyl)-1-(4-(piperazin-1-yl)-3-(trifl...)
Show SMILES COc1ccc(cc1)-c1ccc2ncc3ccc(=O)n(-c4ccc(N5CCNCC5)c(c4)C(F)(F)F)c3c2c1
Show InChI InChI=1S/C30H25F3N4O2/c1-39-23-7-2-19(3-8-23)20-4-9-26-24(16-20)29-21(18-35-26)5-11-28(38)37(29)22-6-10-27(25(17-22)30(31,32)33)36-14-12-34-13-15-36/h2-11,16-18,34H,12-15H2,1H3
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Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of mTOR in p53-deficient MEF assessed as phosphorylation of S6K1 at Thr389 by immunoblotting


J Med Chem 53: 7146-55 (2010)


Article DOI: 10.1021/jm101144f
BindingDB Entry DOI: 10.7270/Q2M32W0R
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR (mTOR)


(Mus musculus (Mouse))
BDBM50328610
PNG
(3-methyl-1-(4-(4-propionylpiperazin-1-yl)-3-(trifl...)
Show SMILES CCC(=O)N1CCN(CC1)c1ccc(cc1C(F)(F)F)-n1c2c(cnc3ccc(cc23)-c2cnc3ccccc3c2)cc(C)c1=O
Show InChI InChI=1S/C36H30F3N5O2/c1-3-33(45)43-14-12-42(13-15-43)32-11-9-27(19-29(32)36(37,38)39)44-34-26(16-22(2)35(44)46)21-41-31-10-8-23(18-28(31)34)25-17-24-6-4-5-7-30(24)40-20-25/h4-11,16-21H,3,12-15H2,1-2H3
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Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of mTOR in p53-deficient MEF assessed as phosphorylation of S6K1 at Thr389 by immunoblotting


J Med Chem 53: 7146-55 (2010)


Article DOI: 10.1021/jm101144f
BindingDB Entry DOI: 10.7270/Q2M32W0R
More data for this
Ligand-Target Pair
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