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Compile Data Set for Download or QSAR

Found 40 hits of ic50 for UniProtKB: P42346   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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)
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)
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)
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)
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)
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)
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)
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


(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)
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)
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)
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)
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)
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)
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)
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


(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


(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


(Rattus norvegicus)
BDBM50520428
PNG
(CHEMBL4518369)
Show SMILES C[C@H]1COCCN1c1nc(N2CCOC[C@H]2C)c2nc(sc2n1)-c1cc[nH]n1 |r|
Show InChI InChI=1S/C18H23N7O2S/c1-11-9-26-7-5-24(11)15-14-17(28-16(20-14)13-3-4-19-23-13)22-18(21-15)25-6-8-27-10-12(25)2/h3-4,11-12H,5-10H2,1-2H3,(H,19,23)/t11-,12+/m1/s1
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR L1460P mutant in rat primary cortical neuron assessed as reduction in PS6 phosphorylation incubated for 4 hrs by Western blot anal...


J Med Chem 63: 1068-1083 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01398
BindingDB Entry DOI: 10.7270/Q29S1VFW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Rattus norvegicus)
BDBM50520428
PNG
(CHEMBL4518369)
Show SMILES C[C@H]1COCCN1c1nc(N2CCOC[C@H]2C)c2nc(sc2n1)-c1cc[nH]n1 |r|
Show InChI InChI=1S/C18H23N7O2S/c1-11-9-26-7-5-24(11)15-14-17(28-16(20-14)13-3-4-19-23-13)22-18(21-15)25-6-8-27-10-12(25)2/h3-4,11-12H,5-10H2,1-2H3,(H,19,23)/t11-,12+/m1/s1
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR S2215Y mutant in rat primary cortical neuron assessed as reduction in PS6 phosphorylation incubated for 4 hrs by Western blot anal...


J Med Chem 63: 1068-1083 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01398
BindingDB Entry DOI: 10.7270/Q29S1VFW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Rattus norvegicus)
BDBM50520428
PNG
(CHEMBL4518369)
Show SMILES C[C@H]1COCCN1c1nc(N2CCOC[C@H]2C)c2nc(sc2n1)-c1cc[nH]n1 |r|
Show InChI InChI=1S/C18H23N7O2S/c1-11-9-26-7-5-24(11)15-14-17(28-16(20-14)13-3-4-19-23-13)22-18(21-15)25-6-8-27-10-12(25)2/h3-4,11-12H,5-10H2,1-2H3,(H,19,23)/t11-,12+/m1/s1
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR S2215F mutant in rat primary cortical neuron assessed as reduction in PS6 phosphorylation incubated for 4 hrs by Western blot anal...


J Med Chem 63: 1068-1083 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01398
BindingDB Entry DOI: 10.7270/Q29S1VFW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Rattus norvegicus)
BDBM50520428
PNG
(CHEMBL4518369)
Show SMILES C[C@H]1COCCN1c1nc(N2CCOC[C@H]2C)c2nc(sc2n1)-c1cc[nH]n1 |r|
Show InChI InChI=1S/C18H23N7O2S/c1-11-9-26-7-5-24(11)15-14-17(28-16(20-14)13-3-4-19-23-13)22-18(21-15)25-6-8-27-10-12(25)2/h3-4,11-12H,5-10H2,1-2H3,(H,19,23)/t11-,12+/m1/s1
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR in rat primary cortical neuron assessed as reduction in PS6 phosphorylation incubated for 4 hrs by Western blot analysis (Rvb = 19...


J Med Chem 63: 1068-1083 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01398
BindingDB Entry DOI: 10.7270/Q29S1VFW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Rattus norvegicus)
BDBM50591240
PNG
(CHEMBL5204586)
Show SMILES Cc1nc2cnc3ccc(cc3c2n1-c1ccc(nc1)C(C)(C)C#N)-c1cnc2[nH]ccc2c1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00572
BindingDB Entry DOI: 10.7270/Q22R3WN7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Rattus norvegicus)
BDBM50520428
PNG
(CHEMBL4518369)
Show SMILES C[C@H]1COCCN1c1nc(N2CCOC[C@H]2C)c2nc(sc2n1)-c1cc[nH]n1 |r|
Show InChI InChI=1S/C18H23N7O2S/c1-11-9-26-7-5-24(11)15-14-17(28-16(20-14)13-3-4-19-23-13)22-18(21-15)25-6-8-27-10-12(25)2/h3-4,11-12H,5-10H2,1-2H3,(H,19,23)/t11-,12+/m1/s1
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR E2419K mutant in rat primary cortical neuron assessed as reduction in PS6 phosphorylation incubated for 4 hrs by Western blot anal...


J Med Chem 63: 1068-1083 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01398
BindingDB Entry DOI: 10.7270/Q29S1VFW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Rattus norvegicus)
BDBM50520428
PNG
(CHEMBL4518369)
Show SMILES C[C@H]1COCCN1c1nc(N2CCOC[C@H]2C)c2nc(sc2n1)-c1cc[nH]n1 |r|
Show InChI InChI=1S/C18H23N7O2S/c1-11-9-26-7-5-24(11)15-14-17(28-16(20-14)13-3-4-19-23-13)22-18(21-15)25-6-8-27-10-12(25)2/h3-4,11-12H,5-10H2,1-2H3,(H,19,23)/t11-,12+/m1/s1
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR L2427P mutant in rat primary cortical neuron assessed as reduction in PS6 phosphorylation incubated for 4 hrs by Western blot anal...


J Med Chem 63: 1068-1083 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01398
BindingDB Entry DOI: 10.7270/Q29S1VFW
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


(Rattus norvegicus)
BDBM50520428
PNG
(CHEMBL4518369)
Show SMILES C[C@H]1COCCN1c1nc(N2CCOC[C@H]2C)c2nc(sc2n1)-c1cc[nH]n1 |r|
Show InChI InChI=1S/C18H23N7O2S/c1-11-9-26-7-5-24(11)15-14-17(28-16(20-14)13-3-4-19-23-13)22-18(21-15)25-6-8-27-10-12(25)2/h3-4,11-12H,5-10H2,1-2H3,(H,19,23)/t11-,12+/m1/s1
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n/an/a 37n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR C1483Y mutant in rat primary cortical neuron assessed as reduction in PS6 phosphorylation incubated for 4 hrs by Western blot anal...


J Med Chem 63: 1068-1083 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01398
BindingDB Entry DOI: 10.7270/Q29S1VFW
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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n/an/a 44n/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


(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


(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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n/an/a 60n/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


(Rattus norvegicus)
BDBM50315210
PNG
(1-(4-(4,6-di((1R,4R)-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,THB:25:27:30:33.32|
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-/m1/s1
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n/an/a 130n/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


(Rattus norvegicus)
BDBM15234
PNG
((1R,3R,5S,9R,18S)-18-(methoxymethyl)-1,5-dimethyl-...)
Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)C[C@@H](OC(C)=O)C1=C2C(=O)c2occ3c2[C@]1(C)[C@@H](COC)OC3=O |r,c:15|
Show InChI InChI=1S/C23H24O8/c1-10(24)30-13-7-22(2)12(5-6-14(22)25)16-18(13)23(3)15(9-28-4)31-21(27)11-8-29-20(17(11)23)19(16)26/h8,12-13,15H,5-7,9H2,1-4H3/t12-,13+,15+,22-,23-/m0/s1
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n/an/a 300n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Rattus norvegicus)
BDBM12915
PNG
(2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one |...)
Show SMILES O=c1cc(oc2c(cccc12)-c1ccccc1)N1CCOCC1
Show InChI InChI=1S/C19H17NO3/c21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13H,9-12H2
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n/an/a 2.50E+3n/an/an/an/an/an/a



University Hospital Hradec Kralove

Curated by ChEMBL


Assay Description
Inhibition of rat derived mTOR using [gamma32P]ATP


J Med Chem 58: 41-71 (2015)


Article DOI: 10.1021/jm501026z
BindingDB Entry DOI: 10.7270/Q2P84DJ7
More data for this
Ligand-Target Pair