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Compile Data Set for Download or QSAR

Found 36 hits Enz. Inhib. hit(s) with all data for entry = 50031544   
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)
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)
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)
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)
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)
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)
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)
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)
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)
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


(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)
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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
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 PI3Kalpha assessed as PIP3 accumulation after 24 mins by HTRF assay


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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
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 PI3Kalpha assessed as PIP3 accumulation after 24 mins by HTRF assay


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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
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 PI3Kalpha assessed as PIP3 accumulation after 24 mins by HTRF assay


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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
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 PI3Kalpha assessed as PIP3 accumulation after 24 mins by HTRF assay


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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
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 PI3Kalpha assessed as PIP3 accumulation after 24 mins by HTRF assay


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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
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 PI3Kalpha assessed as PIP3 accumulation after 24 mins by HTRF assay


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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
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 PI3Kalpha assessed as PIP3 accumulation after 24 mins by HTRF assay


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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
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 PI3Kalpha assessed as PIP3 accumulation after 24 mins by HTRF assay


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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
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 PI3Kalpha assessed as PIP3 accumulation after 24 mins by HTRF assay


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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
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 PI3Kalpha assessed as PIP3 accumulation after 24 mins by HTRF assay


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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
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 PI3Kalpha assessed as PIP3 accumulation after 24 mins by HTRF assay


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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
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 PI3Kalpha assessed as PIP3 accumulation after 24 mins by HTRF assay


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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
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 PI3Kalpha assessed as PIP3 accumulation after 24 mins by HTRF assay


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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
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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n/an/a 414n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha assessed as PIP3 accumulation after 24 mins by HTRF assay


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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
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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n/an/a 593n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha assessed as PIP3 accumulation after 24 mins by HTRF assay


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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
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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n/an/a 644n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha assessed as PIP3 accumulation after 24 mins by HTRF assay


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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
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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n/an/a 846n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha assessed as PIP3 accumulation after 24 mins by HTRF assay


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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
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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n/an/a 1.90E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha assessed as PIP3 accumulation after 24 mins by HTRF assay


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