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PubMed code 20334367

Compile data set for download or QSAR
Found 78 hits of Enzyme Inhibition Constant Data   
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


(Homo sapiens (Human))
BDBM50315759
PNG
(CHEMBL1092073 | N-[2-(Dimethylamino)ethyl]-4-[({4-...)
Show SMILES CN(C)CCNC(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3ccn(CC(F)(F)F)c3n2)cc1
Show InChI InChI=1S/C30H33F3N8O3/c1-39(2)14-12-34-28(42)21-5-9-23(10-6-21)36-29(43)35-22-7-3-20(4-8-22)25-37-26(40-15-17-44-18-16-40)24-11-13-41(27(24)38-25)19-30(31,32)33/h3-11,13H,12,14-19H2,1-2H3,(H,34,42)(H2,35,36,43)
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n/an/a 0.400n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR by DELFIA


J Med Chem 53: 3169-82 (2010)


Article DOI: 10.1021/jm901783v
BindingDB Entry DOI: 10.7270/Q21J99XP
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50315762
PNG
(CHEMBL1092402 | N-[2-(Dimethylamino)ethyl]-4-({[4-...)
Show SMILES CCn1ccc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)C(=O)NCCN(C)C)cc1)N1CCOCC1
Show InChI InChI=1S/C30H36N8O3/c1-4-37-15-13-25-27(37)34-26(35-28(25)38-17-19-41-20-18-38)21-5-9-23(10-6-21)32-30(40)33-24-11-7-22(8-12-24)29(39)31-14-16-36(2)3/h5-13,15H,4,14,16-20H2,1-3H3,(H,31,39)(H2,32,33,40)
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n/an/a 0.5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR by DELFIA


J Med Chem 53: 3169-82 (2010)


Article DOI: 10.1021/jm901783v
BindingDB Entry DOI: 10.7270/Q21J99XP
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50315758
PNG
(CHEMBL1092072 | N-[2-(Dimethylamino)ethyl]-N-methy...)
Show SMILES CN(C)CCN(C)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3ccn(CC(F)(F)F)c3n2)cc1
Show InChI InChI=1S/C31H35F3N8O3/c1-39(2)14-15-40(3)29(43)22-6-10-24(11-7-22)36-30(44)35-23-8-4-21(5-9-23)26-37-27(41-16-18-45-19-17-41)25-12-13-42(28(25)38-26)20-31(32,33)34/h4-13H,14-20H2,1-3H3,(H2,35,36,44)
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n/an/a 0.600n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR by DELFIA


J Med Chem 53: 3169-82 (2010)


Article DOI: 10.1021/jm901783v
BindingDB Entry DOI: 10.7270/Q21J99XP
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50315754
PNG
(1-[4-(7-Ethyl-4-morpholin-4-yl-7H-pyrrolo[2,3-d]py...)
Show SMILES CCn1ccc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)C(=O)N2CCNCC2)cc1)N1CCOCC1
Show InChI InChI=1S/C30H34N8O3/c1-2-36-14-11-25-27(36)34-26(35-28(25)37-17-19-41-20-18-37)21-3-7-23(8-4-21)32-30(40)33-24-9-5-22(6-10-24)29(39)38-15-12-31-13-16-38/h3-11,14,31H,2,12-13,15-20H2,1H3,(H2,32,33,40)
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n/an/a 0.800n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha by fluorescence polarization format assay


J Med Chem 53: 3169-82 (2010)


Article DOI: 10.1021/jm901783v
BindingDB Entry DOI: 10.7270/Q21J99XP
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50315754
PNG
(1-[4-(7-Ethyl-4-morpholin-4-yl-7H-pyrrolo[2,3-d]py...)
Show SMILES CCn1ccc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)C(=O)N2CCNCC2)cc1)N1CCOCC1
Show InChI InChI=1S/C30H34N8O3/c1-2-36-14-11-25-27(36)34-26(35-28(25)37-17-19-41-20-18-37)21-3-7-23(8-4-21)32-30(40)33-24-9-5-22(6-10-24)29(39)38-15-12-31-13-16-38/h3-11,14,31H,2,12-13,15-20H2,1H3,(H2,32,33,40)
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n/an/a 0.900n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR by DELFIA


J Med Chem 53: 3169-82 (2010)


Article DOI: 10.1021/jm901783v
BindingDB Entry DOI: 10.7270/Q21J99XP
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50315758
PNG
(CHEMBL1092072 | N-[2-(Dimethylamino)ethyl]-N-methy...)
Show SMILES CN(C)CCN(C)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3ccn(CC(F)(F)F)c3n2)cc1
Show InChI InChI=1S/C31H35F3N8O3/c1-39(2)14-15-40(3)29(43)22-6-10-24(11-7-22)36-30(44)35-23-8-4-21(5-9-23)26-37-27(41-16-18-45-19-17-41)25-12-13-42(28(25)38-26)20-31(32,33)34/h4-13H,14-20H2,1-3H3,(H2,35,36,44)
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n/an/a 0.900n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha by fluorescence polarization format assay


J Med Chem 53: 3169-82 (2010)


Article DOI: 10.1021/jm901783v
BindingDB Entry DOI: 10.7270/Q21J99XP
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50315746
PNG
(1-[4-(4-Morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-...)
Show SMILES O=C(Nc1ccncc1)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cc[nH]c2n1
Show InChI InChI=1S/C22H21N7O2/c30-22(26-17-5-8-23-9-6-17)25-16-3-1-15(2-4-16)19-27-20-18(7-10-24-20)21(28-19)29-11-13-31-14-12-29/h1-10H,11-14H2,(H,24,27,28)(H2,23,25,26,30)
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n/an/a 1n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR by DELFIA


J Med Chem 53: 3169-82 (2010)


Article DOI: 10.1021/jm901783v
BindingDB Entry DOI: 10.7270/Q21J99XP
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50315747
PNG
(1-{4-[4-Morpholin-4-yl-7-(2,2,2-trifluoroethyl)-7H...)
Show SMILES FC(F)(F)Cn1ccc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccncc2)cc1)N1CCOCC1
Show InChI InChI=1S/C24H22F3N7O2/c25-24(26,27)15-34-10-7-19-21(33-11-13-36-14-12-33)31-20(32-22(19)34)16-1-3-17(4-2-16)29-23(35)30-18-5-8-28-9-6-18/h1-10H,11-15H2,(H2,28,29,30,35)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR by DELFIA


J Med Chem 53: 3169-82 (2010)


Article DOI: 10.1021/jm901783v
BindingDB Entry DOI: 10.7270/Q21J99XP
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50315748
PNG
(1-{4-[7-(2,2-Dimethoxyethyl)-4-morpholin-4-yl-7H-p...)
Show SMILES COC(Cn1ccc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccncc2)cc1)N1CCOCC1)OC
Show InChI InChI=1S/C26H29N7O4/c1-35-22(36-2)17-33-12-9-21-24(32-13-15-37-16-14-32)30-23(31-25(21)33)18-3-5-19(6-4-18)28-26(34)29-20-7-10-27-11-8-20/h3-12,22H,13-17H2,1-2H3,(H2,27,28,29,34)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR by DELFIA


J Med Chem 53: 3169-82 (2010)


Article DOI: 10.1021/jm901783v
BindingDB Entry DOI: 10.7270/Q21J99XP
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50315753
PNG
(1-[4-(7-Ethyl-4-morpholin-4-yl-7H-pyrrolo[2,3-d]py...)
Show SMILES CCn1ccc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)C(=O)N2CCN(C)CC2)cc1)N1CCOCC1
Show InChI InChI=1S/C31H36N8O3/c1-3-37-13-12-26-28(37)34-27(35-29(26)38-18-20-42-21-19-38)22-4-8-24(9-5-22)32-31(41)33-25-10-6-23(7-11-25)30(40)39-16-14-36(2)15-17-39/h4-13H,3,14-21H2,1-2H3,(H2,32,33,41)
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n/an/a 1.40n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR by DELFIA


J Med Chem 53: 3169-82 (2010)


Article DOI: 10.1021/jm901783v
BindingDB Entry DOI: 10.7270/Q21J99XP
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50315759
PNG
(CHEMBL1092073 | N-[2-(Dimethylamino)ethyl]-4-[({4-...)
Show SMILES CN(C)CCNC(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3ccn(CC(F)(F)F)c3n2)cc1
Show InChI InChI=1S/C30H33F3N8O3/c1-39(2)14-12-34-28(42)21-5-9-23(10-6-21)36-29(43)35-22-7-3-20(4-8-22)25-37-26(40-15-17-44-18-16-40)24-11-13-41(27(24)38-25)19-30(31,32)33/h3-11,13H,12,14-19H2,1-2H3,(H,34,42)(H2,35,36,43)
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n/an/a 1.40n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha by fluorescence polarization format assay


J Med Chem 53: 3169-82 (2010)


Article DOI: 10.1021/jm901783v
BindingDB Entry DOI: 10.7270/Q21J99XP
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50315761
PNG
(1-(4-{[4-(Dimethylamino)piperidin-1-yl]carbonyl}ph...)
Show SMILES CN(C)C1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3ccn(CC(F)(F)F)c3n2)cc1
Show InChI InChI=1S/C33H37F3N8O3/c1-41(2)26-11-14-43(15-12-26)31(45)23-5-9-25(10-6-23)38-32(46)37-24-7-3-22(4-8-24)28-39-29(42-17-19-47-20-18-42)27-13-16-44(30(27)40-28)21-33(34,35)36/h3-10,13,16,26H,11-12,14-15,17-21H2,1-2H3,(H2,37,38,46)
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n/an/a 1.70n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR by DELFIA


J Med Chem 53: 3169-82 (2010)


Article DOI: 10.1021/jm901783v
BindingDB Entry DOI: 10.7270/Q21J99XP
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50315760
PNG
(1-{4-[(4-Methylpiperazin-1-yl)carbonyl]phenyl}-3-{...)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3ccn(CC(F)(F)F)c3n2)cc1
Show InChI InChI=1S/C31H33F3N8O3/c1-39-12-14-41(15-13-39)29(43)22-4-8-24(9-5-22)36-30(44)35-23-6-2-21(3-7-23)26-37-27(40-16-18-45-19-17-40)25-10-11-42(28(25)38-26)20-31(32,33)34/h2-11H,12-20H2,1H3,(H2,35,36,44)
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n/an/a 1.70n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR by DELFIA


J Med Chem 53: 3169-82 (2010)


Article DOI: 10.1021/jm901783v
BindingDB Entry DOI: 10.7270/Q21J99XP
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50315762
PNG
(CHEMBL1092402 | N-[2-(Dimethylamino)ethyl]-4-({[4-...)
Show SMILES CCn1ccc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)C(=O)NCCN(C)C)cc1)N1CCOCC1
Show InChI InChI=1S/C30H36N8O3/c1-4-37-15-13-25-27(37)34-26(35-28(25)38-17-19-41-20-18-38)21-5-9-23(10-6-21)32-30(40)33-24-11-7-22(8-12-24)29(39)31-14-16-36(2)3/h5-13,15H,4,14,16-20H2,1-3H3,(H,31,39)(H2,32,33,40)
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n/an/a 1.80n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha by fluorescence polarization format assay


J Med Chem 53: 3169-82 (2010)


Article DOI: 10.1021/jm901783v
BindingDB Entry DOI: 10.7270/Q21J99XP
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50315742
PNG
(1-(4-{7-[2-(Dimethylamino)ethyl]-4-morpholin-4-yl-...)
Show SMILES CN(C)CCn1ccc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccncc2)cc1)N1CCOCC1
Show InChI InChI=1S/C26H30N8O2/c1-32(2)13-14-33-12-9-22-24(33)30-23(31-25(22)34-15-17-36-18-16-34)19-3-5-20(6-4-19)28-26(35)29-21-7-10-27-11-8-21/h3-12H,13-18H2,1-2H3,(H2,27,28,29,35)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR by DELFIA


J Med Chem 53: 3169-82 (2010)


Article DOI: 10.1021/jm901783v
BindingDB Entry DOI: 10.7270/Q21J99XP
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50315757
PNG
(1-{4-[7-(2-Hydroxyethyl)-4-morpholin-4-yl-7H-pyrro...)
Show SMILES OCCn1ccc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccncc2)cc1)N1CCOCC1
Show InChI InChI=1S/C24H25N7O3/c32-14-11-30-10-7-20-22(30)28-21(29-23(20)31-12-15-34-16-13-31)17-1-3-18(4-2-17)26-24(33)27-19-5-8-25-9-6-19/h1-10,32H,11-16H2,(H2,25,26,27,33)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR by DELFIA


J Med Chem 53: 3169-82 (2010)


Article DOI: 10.1021/jm901783v
BindingDB Entry DOI: 10.7270/Q21J99XP
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50315749
PNG
(1-{4-[4-Morpholin-4-yl-7-(2-oxoethyl)-7H-pyrrolo[2...)
Show SMILES O=CCn1ccc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccncc2)cc1)N1CCOCC1
Show InChI InChI=1S/C24H23N7O3/c32-14-11-30-10-7-20-22(30)28-21(29-23(20)31-12-15-34-16-13-31)17-1-3-18(4-2-17)26-24(33)27-19-5-8-25-9-6-19/h1-10,14H,11-13,15-16H2,(H2,25,26,27,33)
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n/an/a 2n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha by fluorescence polarization format assay


J Med Chem 53: 3169-82 (2010)


Article DOI: 10.1021/jm901783v
BindingDB Entry DOI: 10.7270/Q21J99XP
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50315760
PNG
(1-{4-[(4-Methylpiperazin-1-yl)carbonyl]phenyl}-3-{...)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3ccn(CC(F)(F)F)c3n2)cc1
Show InChI InChI=1S/C31H33F3N8O3/c1-39-12-14-41(15-13-39)29(43)22-4-8-24(9-5-22)36-30(44)35-23-6-2-21(3-7-23)26-37-27(40-16-18-45-19-17-40)25-10-11-42(28(25)38-26)20-31(32,33)34/h2-11H,12-20H2,1H3,(H2,35,36,44)
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n/an/a 2.40n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha by fluorescence polarization format assay


J Med Chem 53: 3169-82 (2010)


Article DOI: 10.1021/jm901783v
BindingDB Entry DOI: 10.7270/Q21J99XP
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50315753
PNG
(1-[4-(7-Ethyl-4-morpholin-4-yl-7H-pyrrolo[2,3-d]py...)
Show SMILES CCn1ccc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)C(=O)N2CCN(C)CC2)cc1)N1CCOCC1
Show InChI InChI=1S/C31H36N8O3/c1-3-37-13-12-26-28(37)34-27(35-29(26)38-18-20-42-21-19-38)22-4-8-24(9-5-22)32-31(41)33-25-10-6-23(7-11-25)30(40)39-16-14-36(2)15-17-39/h4-13H,3,14-21H2,1-2H3,(H2,32,33,41)
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n/an/a 2.70n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha by fluorescence polarization format assay


J Med Chem 53: 3169-82 (2010)


Article DOI: 10.1021/jm901783v
BindingDB Entry DOI: 10.7270/Q21J99XP
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50315741
PNG
(1-(4-{7-[2-(Dimethylamino)ethyl]-4-morpholin-4-yl-...)
Show SMILES CN(C)CCn1ccc2c(nc(nc12)-c1ccc(NC(=O)Nc2cccnc2)cc1)N1CCOCC1
Show InChI InChI=1S/C26H30N8O2/c1-32(2)12-13-33-11-9-22-24(33)30-23(31-25(22)34-14-16-36-17-15-34)19-5-7-20(8-6-19)28-26(35)29-21-4-3-10-27-18-21/h3-11,18H,12-17H2,1-2H3,(H2,28,29,35)
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n/an/a 3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR by DELFIA


J Med Chem 53: 3169-82 (2010)


Article DOI: 10.1021/jm901783v
BindingDB Entry DOI: 10.7270/Q21J99XP
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50315749
PNG
(1-{4-[4-Morpholin-4-yl-7-(2-oxoethyl)-7H-pyrrolo[2...)
Show SMILES O=CCn1ccc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccncc2)cc1)N1CCOCC1
Show InChI InChI=1S/C24H23N7O3/c32-14-11-30-10-7-20-22(30)28-21(29-23(20)31-12-15-34-16-13-31)17-1-3-18(4-2-17)26-24(33)27-19-5-8-25-9-6-19/h1-10,14H,11-13,15-16H2,(H2,25,26,27,33)
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n/an/a 3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR by DELFIA


J Med Chem 53: 3169-82 (2010)


Article DOI: 10.1021/jm901783v
BindingDB Entry DOI: 10.7270/Q21J99XP
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50315757
PNG
(1-{4-[7-(2-Hydroxyethyl)-4-morpholin-4-yl-7H-pyrro...)
Show SMILES OCCn1ccc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccncc2)cc1)N1CCOCC1
Show InChI InChI=1S/C24H25N7O3/c32-14-11-30-10-7-20-22(30)28-21(29-23(20)31-12-15-34-16-13-31)17-1-3-18(4-2-17)26-24(33)27-19-5-8-25-9-6-19/h1-10,32H,11-16H2,(H2,25,26,27,33)
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n/an/a 5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha by fluorescence polarization format assay


J Med Chem 53: 3169-82 (2010)


Article DOI: 10.1021/jm901783v
BindingDB Entry DOI: 10.7270/Q21J99XP
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50315761
PNG
(1-(4-{[4-(Dimethylamino)piperidin-1-yl]carbonyl}ph...)
Show SMILES CN(C)C1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3ccn(CC(F)(F)F)c3n2)cc1
Show InChI InChI=1S/C33H37F3N8O3/c1-41(2)26-11-14-43(15-12-26)31(45)23-5-9-25(10-6-23)38-32(46)37-24-7-3-22(4-8-24)28-39-29(42-17-19-47-20-18-42)27-13-16-44(30(27)40-28)21-33(34,35)36/h3-10,13,16,26H,11-12,14-15,17-21H2,1-2H3,(H2,37,38,46)
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n/an/a 6n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha by fluorescence polarization format assay


J Med Chem 53: 3169-82 (2010)


Article DOI: 10.1021/jm901783v
BindingDB Entry DOI: 10.7270/Q21J99XP
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50315740
PNG
(1-(4-{7-[2-(Dimethylamino)ethyl]-4-morpholin-4-yl-...)
Show SMILES CN(C)CCn1ccc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccccn2)cc1)N1CCOCC1
Show InChI InChI=1S/C26H30N8O2/c1-32(2)13-14-33-12-10-21-24(33)30-23(31-25(21)34-15-17-36-18-16-34)19-6-8-20(9-7-19)28-26(35)29-22-5-3-4-11-27-22/h3-12H,13-18H2,1-2H3,(H2,27,28,29,35)
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n/an/a 7n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR by DELFIA


J Med Chem 53: 3169-82 (2010)


Article DOI: 10.1021/jm901783v
BindingDB Entry DOI: 10.7270/Q21J99XP
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50315756
PNG
(1-{4-[4-Morpholin-4-yl-7-(2-piperazin-1-ylethyl)-7...)
Show SMILES O=C(Nc1ccncc1)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2ccn(CCN3CCNCC3)c2n1
Show InChI InChI=1S/C28H33N9O2/c38-28(32-23-5-8-29-9-6-23)31-22-3-1-21(2-4-22)25-33-26-24(27(34-25)37-17-19-39-20-18-37)7-12-36(26)16-15-35-13-10-30-11-14-35/h1-9,12,30H,10-11,13-20H2,(H2,29,31,32,38)
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n/an/a 7n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha by fluorescence polarization format assay


J Med Chem 53: 3169-82 (2010)


Article DOI: 10.1021/jm901783v
BindingDB Entry DOI: 10.7270/Q21J99XP
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50315750
PNG
(1-{4-[4-Morpholin-4-yl-7-(2-pyrrolidin-1-ylethyl)-...)
Show SMILES O=C(Nc1ccncc1)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2ccn(CCN3CCCC3)c2n1
Show InChI InChI=1S/C28H32N8O2/c37-28(31-23-7-10-29-11-8-23)30-22-5-3-21(4-6-22)25-32-26-24(27(33-25)36-17-19-38-20-18-36)9-14-35(26)16-15-34-12-1-2-13-34/h3-11,14H,1-2,12-13,15-20H2,(H2,29,30,31,37)
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n/an/a 7n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR by DELFIA


J Med Chem 53: 3169-82 (2010)


Article DOI: 10.1021/jm901783v
BindingDB Entry DOI: 10.7270/Q21J99XP
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50315742
PNG
(1-(4-{7-[2-(Dimethylamino)ethyl]-4-morpholin-4-yl-...)
Show SMILES CN(C)CCn1ccc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccncc2)cc1)N1CCOCC1
Show InChI InChI=1S/C26H30N8O2/c1-32(2)13-14-33-12-9-22-24(33)30-23(31-25(22)34-15-17-36-18-16-34)19-3-5-20(6-4-19)28-26(35)29-21-7-10-27-11-8-21/h3-12H,13-18H2,1-2H3,(H2,27,28,29,35)
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n/an/a 8n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha by fluorescence polarization format assay


J Med Chem 53: 3169-82 (2010)


Article DOI: 10.1021/jm901783v
BindingDB Entry DOI: 10.7270/Q21J99XP
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50315743
PNG
(1-(4-{7-[2-(Dimethylamino)ethyl]-4-morpholin-4-yl-...)
Show SMILES CN(C)CCn1ccc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(F)cc2)cc1)N1CCOCC1
Show InChI InChI=1S/C27H30FN7O2/c1-33(2)13-14-34-12-11-23-25(34)31-24(32-26(23)35-15-17-37-18-16-35)19-3-7-21(8-4-19)29-27(36)30-22-9-5-20(28)6-10-22/h3-12H,13-18H2,1-2H3,(H2,29,30,36)
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n/an/a 8n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR by DELFIA


J Med Chem 53: 3169-82 (2010)


Article DOI: 10.1021/jm901783v
BindingDB Entry DOI: 10.7270/Q21J99XP
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50315747
PNG
(1-{4-[4-Morpholin-4-yl-7-(2,2,2-trifluoroethyl)-7H...)
Show SMILES FC(F)(F)Cn1ccc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccncc2)cc1)N1CCOCC1
Show InChI InChI=1S/C24H22F3N7O2/c25-24(26,27)15-34-10-7-19-21(33-11-13-36-14-12-33)31-20(32-22(19)34)16-1-3-17(4-2-16)29-23(35)30-18-5-8-28-9-6-18/h1-10H,11-15H2,(H2,28,29,30,35)
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n/an/a 10n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha by fluorescence polarization format assay


J Med Chem 53: 3169-82 (2010)


Article DOI: 10.1021/jm901783v
BindingDB Entry DOI: 10.7270/Q21J99XP
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50315752
PNG
(1-{4-[7-(2-{[2-(Dimethylamino)ethyl]amino}ethyl)-4...)
Show SMILES CN(C)CCNCCn1ccc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccncc2)cc1)N1CCOCC1
Show InChI InChI=1S/C28H35N9O2/c1-35(2)15-12-30-13-16-36-14-9-24-26(36)33-25(34-27(24)37-17-19-39-20-18-37)21-3-5-22(6-4-21)31-28(38)32-23-7-10-29-11-8-23/h3-11,14,30H,12-13,15-20H2,1-2H3,(H2,29,31,32,38)
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n/an/a 11n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR by DELFIA


J Med Chem 53: 3169-82 (2010)


Article DOI: 10.1021/jm901783v
BindingDB Entry DOI: 10.7270/Q21J99XP
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50315756
PNG
(1-{4-[4-Morpholin-4-yl-7-(2-piperazin-1-ylethyl)-7...)
Show SMILES O=C(Nc1ccncc1)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2ccn(CCN3CCNCC3)c2n1
Show InChI InChI=1S/C28H33N9O2/c38-28(32-23-5-8-29-9-6-23)31-22-3-1-21(2-4-22)25-33-26-24(27(34-25)37-17-19-39-20-18-37)7-12-36(26)16-15-35-13-10-30-11-14-35/h1-9,12,30H,10-11,13-20H2,(H2,29,31,32,38)
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n/an/a 14n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR by DELFIA


J Med Chem 53: 3169-82 (2010)


Article DOI: 10.1021/jm901783v
BindingDB Entry DOI: 10.7270/Q21J99XP
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50315741
PNG
(1-(4-{7-[2-(Dimethylamino)ethyl]-4-morpholin-4-yl-...)
Show SMILES CN(C)CCn1ccc2c(nc(nc12)-c1ccc(NC(=O)Nc2cccnc2)cc1)N1CCOCC1
Show InChI InChI=1S/C26H30N8O2/c1-32(2)12-13-33-11-9-22-24(33)30-23(31-25(22)34-14-16-36-17-15-34)19-5-7-20(8-6-19)28-26(35)29-21-4-3-10-27-18-21/h3-11,18H,12-17H2,1-2H3,(H2,28,29,35)
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n/an/a 16n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha by fluorescence polarization format assay


J Med Chem 53: 3169-82 (2010)


Article DOI: 10.1021/jm901783v
BindingDB Entry DOI: 10.7270/Q21J99XP
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50315748
PNG
(1-{4-[7-(2,2-Dimethoxyethyl)-4-morpholin-4-yl-7H-p...)
Show SMILES COC(Cn1ccc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccncc2)cc1)N1CCOCC1)OC
Show InChI InChI=1S/C26H29N7O4/c1-35-22(36-2)17-33-12-9-21-24(32-13-15-37-16-14-32)30-23(31-25(21)33)18-3-5-19(6-4-18)28-26(34)29-20-7-10-27-11-8-20/h3-12,22H,13-17H2,1-2H3,(H2,27,28,29,34)
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n/an/a 17n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha by fluorescence polarization format assay


J Med Chem 53: 3169-82 (2010)


Article DOI: 10.1021/jm901783v
BindingDB Entry DOI: 10.7270/Q21J99XP
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50315729
PNG
(3-{7-[(Dimethylamino)methyl]-4-morpholin-4-yl-5H-p...)
Show SMILES CN(C)Cc1c[nH]c2c(nc(nc12)-c1cccc(CO)c1)N1CCOCC1
Show InChI InChI=1S/C20H25N5O2/c1-24(2)12-16-11-21-18-17(16)22-19(15-5-3-4-14(10-15)13-26)23-20(18)25-6-8-27-9-7-25/h3-5,10-11,21,26H,6-9,12-13H2,1-2H3
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n/an/a 20n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha by fluorescence polarization format assay


J Med Chem 53: 3169-82 (2010)


Article DOI: 10.1021/jm901783v
BindingDB Entry DOI: 10.7270/Q21J99XP
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50315730
PNG
(CHEMBL1088790 | {3-[4-Morpholin-4-yl-7-(pyrrolidin...)
Show SMILES OCc1cccc(c1)-c1nc(N2CCOCC2)c2[nH]cc(CN3CCCC3)c2n1
Show InChI InChI=1S/C22H27N5O2/c28-15-16-4-3-5-17(12-16)21-24-19-18(14-26-6-1-2-7-26)13-23-20(19)22(25-21)27-8-10-29-11-9-27/h3-5,12-13,23,28H,1-2,6-11,14-15H2
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n/an/a 21n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha by fluorescence polarization format assay


J Med Chem 53: 3169-82 (2010)


Article DOI: 10.1021/jm901783v
BindingDB Entry DOI: 10.7270/Q21J99XP
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50315743
PNG
(1-(4-{7-[2-(Dimethylamino)ethyl]-4-morpholin-4-yl-...)
Show SMILES CN(C)CCn1ccc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(F)cc2)cc1)N1CCOCC1
Show InChI InChI=1S/C27H30FN7O2/c1-33(2)13-14-34-12-11-23-25(34)31-24(32-26(23)35-15-17-37-18-16-35)19-3-7-21(8-4-19)29-27(36)30-22-9-5-20(28)6-10-22/h3-12H,13-18H2,1-2H3,(H2,29,30,36)
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n/an/a 24n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha by fluorescence polarization format assay


J Med Chem 53: 3169-82 (2010)


Article DOI: 10.1021/jm901783v
BindingDB Entry DOI: 10.7270/Q21J99XP
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50315755
PNG
(1-(4-{7-[2-(4-Methylpiperazin-1-yl)ethyl]-4-morpho...)
Show SMILES CN1CCN(CCn2ccc3c(nc(nc23)-c2ccc(NC(=O)Nc3ccncc3)cc2)N2CCOCC2)CC1
Show InChI InChI=1S/C29H35N9O2/c1-35-12-14-36(15-13-35)16-17-37-11-8-25-27(37)33-26(34-28(25)38-18-20-40-21-19-38)22-2-4-23(5-3-22)31-29(39)32-24-6-9-30-10-7-24/h2-11H,12-21H2,1H3,(H2,30,31,32,39)
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n/an/a 24n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR by DELFIA


J Med Chem 53: 3169-82 (2010)


Article DOI: 10.1021/jm901783v
BindingDB Entry DOI: 10.7270/Q21J99XP
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50315746
PNG
(1-[4-(4-Morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-...)
Show SMILES O=C(Nc1ccncc1)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cc[nH]c2n1
Show InChI InChI=1S/C22H21N7O2/c30-22(26-17-5-8-23-9-6-17)25-16-3-1-15(2-4-16)19-27-20-18(7-10-24-20)21(28-19)29-11-13-31-14-12-29/h1-10H,11-14H2,(H,24,27,28)(H2,23,25,26,30)
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n/an/a 28n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha by fluorescence polarization format assay


J Med Chem 53: 3169-82 (2010)


Article DOI: 10.1021/jm901783v
BindingDB Entry DOI: 10.7270/Q21J99XP
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50315750
PNG
(1-{4-[4-Morpholin-4-yl-7-(2-pyrrolidin-1-ylethyl)-...)
Show SMILES O=C(Nc1ccncc1)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2ccn(CCN3CCCC3)c2n1
Show InChI InChI=1S/C28H32N8O2/c37-28(31-23-7-10-29-11-8-23)30-22-5-3-21(4-6-22)25-32-26-24(27(33-25)36-17-19-38-20-18-36)9-14-35(26)16-15-34-12-1-2-13-34/h3-11,14H,1-2,12-13,15-20H2,(H2,29,30,31,37)
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n/an/a 30n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha by fluorescence polarization format assay


J Med Chem 53: 3169-82 (2010)


Article DOI: 10.1021/jm901783v
BindingDB Entry DOI: 10.7270/Q21J99XP
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50315744
PNG
(1-(4-{7-[2-(Dimethylamino)ethyl]-4-morpholin-4-yl-...)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2ccn(CCN(C)C)c2n1
Show InChI InChI=1S/C23H31N7O2/c1-4-24-23(31)25-18-7-5-17(6-8-18)20-26-21-19(9-10-29(21)12-11-28(2)3)22(27-20)30-13-15-32-16-14-30/h5-10H,4,11-16H2,1-3H3,(H2,24,25,31)
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n/an/a 30n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR by DELFIA


J Med Chem 53: 3169-82 (2010)


Article DOI: 10.1021/jm901783v
BindingDB Entry DOI: 10.7270/Q21J99XP
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50315745
PNG
(1-(4-{7-[2-(Dimethylamino)ethyl]-4-morpholin-4-yl-...)
Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2ccn(CCN(C)C)c2n1
Show InChI InChI=1S/C22H29N7O2/c1-23-22(30)24-17-6-4-16(5-7-17)19-25-20-18(8-9-28(20)11-10-27(2)3)21(26-19)29-12-14-31-15-13-29/h4-9H,10-15H2,1-3H3,(H2,23,24,30)
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n/an/a 33n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR by DELFIA


J Med Chem 53: 3169-82 (2010)


Article DOI: 10.1021/jm901783v
BindingDB Entry DOI: 10.7270/Q21J99XP
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50315752
PNG
(1-{4-[7-(2-{[2-(Dimethylamino)ethyl]amino}ethyl)-4...)
Show SMILES CN(C)CCNCCn1ccc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccncc2)cc1)N1CCOCC1
Show InChI InChI=1S/C28H35N9O2/c1-35(2)15-12-30-13-16-36-14-9-24-26(36)33-25(34-27(24)37-17-19-39-20-18-37)21-3-5-22(6-4-21)31-28(38)32-23-7-10-29-11-8-23/h3-11,14,30H,12-13,15-20H2,1-2H3,(H2,29,31,32,38)
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n/an/a 36n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha by fluorescence polarization format assay


J Med Chem 53: 3169-82 (2010)


Article DOI: 10.1021/jm901783v
BindingDB Entry DOI: 10.7270/Q21J99XP
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50315755
PNG
(1-(4-{7-[2-(4-Methylpiperazin-1-yl)ethyl]-4-morpho...)
Show SMILES CN1CCN(CCn2ccc3c(nc(nc23)-c2ccc(NC(=O)Nc3ccncc3)cc2)N2CCOCC2)CC1
Show InChI InChI=1S/C29H35N9O2/c1-35-12-14-36(15-13-35)16-17-37-11-8-25-27(37)33-26(34-28(25)38-18-20-40-21-19-38)22-2-4-23(5-3-22)31-29(39)32-24-6-9-30-10-7-24/h2-11H,12-21H2,1H3,(H2,30,31,32,39)
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n/an/a 42n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha by fluorescence polarization format assay


J Med Chem 53: 3169-82 (2010)


Article DOI: 10.1021/jm901783v
BindingDB Entry DOI: 10.7270/Q21J99XP
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50315738
PNG
((3-{7-[2-(Dimethylamino)ethyl]-4-morpholin-4-yl-7H...)
Show SMILES CN(C)CCn1ccc2c(nc(nc12)-c1cccc(CO)c1)N1CCOCC1
Show InChI InChI=1S/C21H27N5O2/c1-24(2)8-9-25-7-6-18-20(25)22-19(17-5-3-4-16(14-17)15-27)23-21(18)26-10-12-28-13-11-26/h3-7,14,27H,8-13,15H2,1-2H3
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n/an/a 42n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha by fluorescence polarization format assay


J Med Chem 53: 3169-82 (2010)


Article DOI: 10.1021/jm901783v
BindingDB Entry DOI: 10.7270/Q21J99XP
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50315737
PNG
(3-(4-Morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-y...)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2cc[nH]c2n1
Show InChI InChI=1S/C16H16N4O2/c21-12-3-1-2-11(10-12)14-18-15-13(4-5-17-15)16(19-14)20-6-8-22-9-7-20/h1-5,10,21H,6-9H2,(H,17,18,19)
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n/an/a 43n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha by fluorescence polarization format assay


J Med Chem 53: 3169-82 (2010)


Article DOI: 10.1021/jm901783v
BindingDB Entry DOI: 10.7270/Q21J99XP
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50315751
PNG
(1-{4-[4-Morpholin-4-yl-7-(2-piperidin-1-ylethyl)-7...)
Show SMILES O=C(Nc1ccncc1)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2ccn(CCN3CCCCC3)c2n1
Show InChI InChI=1S/C29H34N8O2/c38-29(32-24-8-11-30-12-9-24)31-23-6-4-22(5-7-23)26-33-27-25(28(34-26)37-18-20-39-21-19-37)10-15-36(27)17-16-35-13-2-1-3-14-35/h4-12,15H,1-3,13-14,16-21H2,(H2,30,31,32,38)
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n/an/a 52n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR by DELFIA


J Med Chem 53: 3169-82 (2010)


Article DOI: 10.1021/jm901783v
BindingDB Entry DOI: 10.7270/Q21J99XP
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50315751
PNG
(1-{4-[4-Morpholin-4-yl-7-(2-piperidin-1-ylethyl)-7...)
Show SMILES O=C(Nc1ccncc1)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2ccn(CCN3CCCCC3)c2n1
Show InChI InChI=1S/C29H34N8O2/c38-29(32-24-8-11-30-12-9-24)31-23-6-4-22(5-7-23)26-33-27-25(28(34-26)37-18-20-39-21-19-37)10-15-36(27)17-16-35-13-2-1-3-14-35/h4-12,15H,1-3,13-14,16-21H2,(H2,30,31,32,38)
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n/an/a 53n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha by fluorescence polarization format assay


J Med Chem 53: 3169-82 (2010)


Article DOI: 10.1021/jm901783v
BindingDB Entry DOI: 10.7270/Q21J99XP
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50315745
PNG
(1-(4-{7-[2-(Dimethylamino)ethyl]-4-morpholin-4-yl-...)
Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2ccn(CCN(C)C)c2n1
Show InChI InChI=1S/C22H29N7O2/c1-23-22(30)24-17-6-4-16(5-7-17)19-25-20-18(8-9-28(20)11-10-27(2)3)21(26-19)29-12-14-31-15-13-29/h4-9H,10-15H2,1-3H3,(H2,23,24,30)
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n/an/a 54n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha by fluorescence polarization format assay


J Med Chem 53: 3169-82 (2010)


Article DOI: 10.1021/jm901783v
BindingDB Entry DOI: 10.7270/Q21J99XP
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50305306
PNG
((3-(9-(1-benzylpiperidin-4-yl)-6-morpholino-9H-pur...)
Show SMILES OCc1cccc(c1)-c1nc(N2CCOCC2)c2ncn(C3CCN(Cc4ccccc4)CC3)c2n1
Show InChI InChI=1S/C28H32N6O2/c35-19-22-7-4-8-23(17-22)26-30-27(33-13-15-36-16-14-33)25-28(31-26)34(20-29-25)24-9-11-32(12-10-24)18-21-5-2-1-3-6-21/h1-8,17,20,24,35H,9-16,18-19H2
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n/an/a 63n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha by fluorescence polarization format assay


J Med Chem 53: 3169-82 (2010)


Article DOI: 10.1021/jm901783v
BindingDB Entry DOI: 10.7270/Q21J99XP
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50315737
PNG
(3-(4-Morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-y...)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2cc[nH]c2n1
Show InChI InChI=1S/C16H16N4O2/c21-12-3-1-2-11(10-12)14-18-15-13(4-5-17-15)16(19-14)20-6-8-22-9-7-20/h1-5,10,21H,6-9H2,(H,17,18,19)
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n/an/a 64n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR by DELFIA


J Med Chem 53: 3169-82 (2010)


Article DOI: 10.1021/jm901783v
BindingDB Entry DOI: 10.7270/Q21J99XP
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50315725
PNG
(CHEMBL1089767 | [3-(4-Morpholin-4-yl-5H-pyrrolo[3,...)
Show SMILES OCc1cccc(c1)-c1nc(N2CCOCC2)c2[nH]ccc2n1
Show InChI InChI=1S/C17H18N4O2/c22-11-12-2-1-3-13(10-12)16-19-14-4-5-18-15(14)17(20-16)21-6-8-23-9-7-21/h1-5,10,18,22H,6-9,11H2
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n/an/a 65n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha by fluorescence polarization format assay


J Med Chem 53: 3169-82 (2010)


Article DOI: 10.1021/jm901783v
BindingDB Entry DOI: 10.7270/Q21J99XP
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50315727
PNG
(3-(4-morpholino-5H-pyrrolo[3,2-d]pyrimidin-2-yl)ph...)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2[nH]ccc2n1
Show InChI InChI=1S/C16H16N4O2/c21-12-3-1-2-11(10-12)15-18-13-4-5-17-14(13)16(19-15)20-6-8-22-9-7-20/h1-5,10,17,21H,6-9H2
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n/an/a 70n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha by fluorescence polarization format assay


J Med Chem 53: 3169-82 (2010)


Article DOI: 10.1021/jm901783v
BindingDB Entry DOI: 10.7270/Q21J99XP
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50315739
PNG
(3-{7-[2-(Dimethylamino)ethyl]-4-morpholin-4-yl-7H-...)
Show SMILES CN(C)CCn1ccc2c(nc(nc12)-c1cccc(O)c1)N1CCOCC1
Show InChI InChI=1S/C20H25N5O2/c1-23(2)8-9-24-7-6-17-19(24)21-18(15-4-3-5-16(26)14-15)22-20(17)25-10-12-27-13-11-25/h3-7,14,26H,8-13H2,1-2H3
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n/an/a 76n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha by fluorescence polarization format assay


J Med Chem 53: 3169-82 (2010)


Article DOI: 10.1021/jm901783v
BindingDB Entry DOI: 10.7270/Q21J99XP
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50315736
PNG
(CHEMBL1088833 | [3-(4-Morpholin-4-yl-7H-pyrrolo[2,...)
Show SMILES OCc1cccc(c1)-c1nc(N2CCOCC2)c2cc[nH]c2n1
Show InChI InChI=1S/C17H18N4O2/c22-11-12-2-1-3-13(10-12)15-19-16-14(4-5-18-16)17(20-15)21-6-8-23-9-7-21/h1-5,10,22H,6-9,11H2,(H,18,19,20)
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n/an/a 80n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha by fluorescence polarization format assay


J Med Chem 53: 3169-82 (2010)


Article DOI: 10.1021/jm901783v
BindingDB Entry DOI: 10.7270/Q21J99XP
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50315729
PNG
(3-{7-[(Dimethylamino)methyl]-4-morpholin-4-yl-5H-p...)
Show SMILES CN(C)Cc1c[nH]c2c(nc(nc12)-c1cccc(CO)c1)N1CCOCC1
Show InChI InChI=1S/C20H25N5O2/c1-24(2)12-16-11-21-18-17(16)22-19(15-5-3-4-14(10-15)13-26)23-20(18)25-6-8-27-9-7-25/h3-5,10-11,21,26H,6-9,12-13H2,1-2H3
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n/an/a 108n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR by DELFIA


J Med Chem 53: 3169-82 (2010)


Article DOI: 10.1021/jm901783v
BindingDB Entry DOI: 10.7270/Q21J99XP
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50315740
PNG
(1-(4-{7-[2-(Dimethylamino)ethyl]-4-morpholin-4-yl-...)
Show SMILES CN(C)CCn1ccc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccccn2)cc1)N1CCOCC1
Show InChI InChI=1S/C26H30N8O2/c1-32(2)13-14-33-12-10-21-24(33)30-23(31-25(21)34-15-17-36-18-16-34)19-6-8-20(9-7-19)28-26(35)29-22-5-3-4-11-27-22/h3-12H,13-18H2,1-2H3,(H2,27,28,29,35)
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n/an/a 142n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha by fluorescence polarization format assay


J Med Chem 53: 3169-82 (2010)


Article DOI: 10.1021/jm901783v
BindingDB Entry DOI: 10.7270/Q21J99XP
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50315735
PNG
(3-{7-[1-(4-Fluorobenzyl)piperidin-4-yl]-4-morpholi...)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2[nH]cc(C3CCN(Cc4ccc(F)cc4)CC3)c2n1
Show InChI InChI=1S/C28H30FN5O2/c29-22-6-4-19(5-7-22)18-33-10-8-20(9-11-33)24-17-30-26-25(24)31-27(21-2-1-3-23(35)16-21)32-28(26)34-12-14-36-15-13-34/h1-7,16-17,20,30,35H,8-15,18H2
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n/an/a 178n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha by fluorescence polarization format assay


J Med Chem 53: 3169-82 (2010)


Article DOI: 10.1021/jm901783v
BindingDB Entry DOI: 10.7270/Q21J99XP
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50315736
PNG
(CHEMBL1088833 | [3-(4-Morpholin-4-yl-7H-pyrrolo[2,...)
Show SMILES OCc1cccc(c1)-c1nc(N2CCOCC2)c2cc[nH]c2n1
Show InChI InChI=1S/C17H18N4O2/c22-11-12-2-1-3-13(10-12)15-19-16-14(4-5-18-16)17(20-15)21-6-8-23-9-7-21/h1-5,10,22H,6-9,11H2,(H,18,19,20)
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n/an/a 205n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR by DELFIA


J Med Chem 53: 3169-82 (2010)


Article DOI: 10.1021/jm901783v
BindingDB Entry DOI: 10.7270/Q21J99XP
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50315744
PNG
(1-(4-{7-[2-(Dimethylamino)ethyl]-4-morpholin-4-yl-...)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2ccn(CCN(C)C)c2n1
Show InChI InChI=1S/C23H31N7O2/c1-4-24-23(31)25-18-7-5-17(6-8-18)20-26-21-19(9-10-29(21)12-11-28(2)3)22(27-20)30-13-15-32-16-14-30/h5-10H,4,11-16H2,1-3H3,(H2,24,25,31)
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n/an/a 226n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha by fluorescence polarization format assay


J Med Chem 53: 3169-82 (2010)


Article DOI: 10.1021/jm901783v
BindingDB Entry DOI: 10.7270/Q21J99XP
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50315734
PNG
(3-[7-(1-benzylpiperidin-4-yl)-4-morpholin-4-yl-5H-...)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2[nH]cc(C3CCN(Cc4ccccc4)CC3)c2n1
Show InChI InChI=1S/C28H31N5O2/c34-23-8-4-7-22(17-23)27-30-25-24(18-29-26(25)28(31-27)33-13-15-35-16-14-33)21-9-11-32(12-10-21)19-20-5-2-1-3-6-20/h1-8,17-18,21,29,34H,9-16,19H2
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n/an/a 340n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha by fluorescence polarization format assay


J Med Chem 53: 3169-82 (2010)


Article DOI: 10.1021/jm901783v
BindingDB Entry DOI: 10.7270/Q21J99XP
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50315733
PNG
(3-(4-Morpholin-4-yl-7-piperidin-4-yl-5H-pyrrolo[3,...)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2[nH]cc(C3CCNCC3)c2n1
Show InChI InChI=1S/C21H25N5O2/c27-16-3-1-2-15(12-16)20-24-18-17(14-4-6-22-7-5-14)13-23-19(18)21(25-20)26-8-10-28-11-9-26/h1-3,12-14,22-23,27H,4-11H2
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n/an/a 354n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha by fluorescence polarization format assay


J Med Chem 53: 3169-82 (2010)


Article DOI: 10.1021/jm901783v
BindingDB Entry DOI: 10.7270/Q21J99XP
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50315727
PNG
(3-(4-morpholino-5H-pyrrolo[3,2-d]pyrimidin-2-yl)ph...)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2[nH]ccc2n1
Show InChI InChI=1S/C16H16N4O2/c21-12-3-1-2-11(10-12)15-18-13-4-5-17-14(13)16(19-15)20-6-8-22-9-7-20/h1-5,10,17,21H,6-9H2
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n/an/a 355n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR by DELFIA


J Med Chem 53: 3169-82 (2010)


Article DOI: 10.1021/jm901783v
BindingDB Entry DOI: 10.7270/Q21J99XP
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50315728
PNG
(3-(4-Morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-y...)
Show SMILES Nc1cccc(c1)-c1nc(N2CCOCC2)c2[nH]ccc2n1
Show InChI InChI=1S/C16H17N5O/c17-12-3-1-2-11(10-12)15-19-13-4-5-18-14(13)16(20-15)21-6-8-22-9-7-21/h1-5,10,18H,6-9,17H2
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n/an/a 430n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR by DELFIA


J Med Chem 53: 3169-82 (2010)


Article DOI: 10.1021/jm901783v
BindingDB Entry DOI: 10.7270/Q21J99XP
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50305306
PNG
((3-(9-(1-benzylpiperidin-4-yl)-6-morpholino-9H-pur...)
Show SMILES OCc1cccc(c1)-c1nc(N2CCOCC2)c2ncn(C3CCN(Cc4ccccc4)CC3)c2n1
Show InChI InChI=1S/C28H32N6O2/c35-19-22-7-4-8-23(17-22)26-30-27(33-13-15-36-16-14-33)25-28(31-26)34(20-29-25)24-9-11-32(12-10-24)18-21-5-2-1-3-6-21/h1-8,17,20,24,35H,9-16,18-19H2
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n/an/a 634n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR by DELFIA


J Med Chem 53: 3169-82 (2010)


Article DOI: 10.1021/jm901783v
BindingDB Entry DOI: 10.7270/Q21J99XP
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50315738
PNG
((3-{7-[2-(Dimethylamino)ethyl]-4-morpholin-4-yl-7H...)
Show SMILES CN(C)CCn1ccc2c(nc(nc12)-c1cccc(CO)c1)N1CCOCC1
Show InChI InChI=1S/C21H27N5O2/c1-24(2)8-9-25-7-6-18-20(25)22-19(17-5-3-4-16(14-17)15-27)23-21(18)26-10-12-28-13-11-26/h3-7,14,27H,8-13,15H2,1-2H3
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n/an/a>800n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR by DELFIA


J Med Chem 53: 3169-82 (2010)


Article DOI: 10.1021/jm901783v
BindingDB Entry DOI: 10.7270/Q21J99XP
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50315739
PNG
(3-{7-[2-(Dimethylamino)ethyl]-4-morpholin-4-yl-7H-...)
Show SMILES CN(C)CCn1ccc2c(nc(nc12)-c1cccc(O)c1)N1CCOCC1
Show InChI InChI=1S/C20H25N5O2/c1-23(2)8-9-24-7-6-17-19(24)21-18(15-4-3-5-16(26)14-15)22-20(17)25-10-12-27-13-11-25/h3-7,14,26H,8-13H2,1-2H3
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR by DELFIA


J Med Chem 53: 3169-82 (2010)


Article DOI: 10.1021/jm901783v
BindingDB Entry DOI: 10.7270/Q21J99XP
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50315726
PNG
(2-(3-Methylphenyl)-4-morpholin-4-yl-5H-pyrrolo[3,2...)
Show SMILES Cc1cccc(c1)-c1nc(N2CCOCC2)c2[nH]ccc2n1
Show InChI InChI=1S/C17H18N4O/c1-12-3-2-4-13(11-12)16-19-14-5-6-18-15(14)17(20-16)21-7-9-22-10-8-21/h2-6,11,18H,7-10H2,1H3
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n/an/a 1.51E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha by fluorescence polarization format assay


J Med Chem 53: 3169-82 (2010)


Article DOI: 10.1021/jm901783v
BindingDB Entry DOI: 10.7270/Q21J99XP
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50315725
PNG
(CHEMBL1089767 | [3-(4-Morpholin-4-yl-5H-pyrrolo[3,...)
Show SMILES OCc1cccc(c1)-c1nc(N2CCOCC2)c2[nH]ccc2n1
Show InChI InChI=1S/C17H18N4O2/c22-11-12-2-1-3-13(10-12)16-19-14-4-5-18-15(14)17(20-16)21-6-8-23-9-7-21/h1-5,10,18,22H,6-9,11H2
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n/an/a 1.63E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR by DELFIA


J Med Chem 53: 3169-82 (2010)


Article DOI: 10.1021/jm901783v
BindingDB Entry DOI: 10.7270/Q21J99XP
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50315731
PNG
(CHEMBL1088791 | [3-(5-Methyl-4-morpholin-4-yl-5H-p...)
Show SMILES Cn1ccc2nc(nc(N3CCOCC3)c12)-c1cccc(CO)c1
Show InChI InChI=1S/C18H20N4O2/c1-21-6-5-15-16(21)18(22-7-9-24-10-8-22)20-17(19-15)14-4-2-3-13(11-14)12-23/h2-6,11,23H,7-10,12H2,1H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha by fluorescence polarization format assay


J Med Chem 53: 3169-82 (2010)


Article DOI: 10.1021/jm901783v
BindingDB Entry DOI: 10.7270/Q21J99XP
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50315734
PNG
(3-[7-(1-benzylpiperidin-4-yl)-4-morpholin-4-yl-5H-...)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2[nH]cc(C3CCN(Cc4ccccc4)CC3)c2n1
Show InChI InChI=1S/C28H31N5O2/c34-23-8-4-7-22(17-23)27-30-25-24(18-29-26(25)28(31-27)33-13-15-35-16-14-33)21-9-11-32(12-10-21)19-20-5-2-1-3-6-20/h1-8,17-18,21,29,34H,9-16,19H2
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n/an/a 2.00E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR by DELFIA


J Med Chem 53: 3169-82 (2010)


Article DOI: 10.1021/jm901783v
BindingDB Entry DOI: 10.7270/Q21J99XP
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50315730
PNG
(CHEMBL1088790 | {3-[4-Morpholin-4-yl-7-(pyrrolidin...)
Show SMILES OCc1cccc(c1)-c1nc(N2CCOCC2)c2[nH]cc(CN3CCCC3)c2n1
Show InChI InChI=1S/C22H27N5O2/c28-15-16-4-3-5-17(12-16)21-24-19-18(14-26-6-1-2-7-26)13-23-20(19)22(25-21)27-8-10-29-11-9-27/h3-5,12-13,23,28H,1-2,6-11,14-15H2
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n/an/a 3.60E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR by DELFIA


J Med Chem 53: 3169-82 (2010)


Article DOI: 10.1021/jm901783v
BindingDB Entry DOI: 10.7270/Q21J99XP
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50315735
PNG
(3-{7-[1-(4-Fluorobenzyl)piperidin-4-yl]-4-morpholi...)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2[nH]cc(C3CCN(Cc4ccc(F)cc4)CC3)c2n1
Show InChI InChI=1S/C28H30FN5O2/c29-22-6-4-19(5-7-22)18-33-10-8-20(9-11-33)24-17-30-26-25(24)31-27(21-2-1-3-23(35)16-21)32-28(26)34-12-14-36-15-13-34/h1-7,16-17,20,30,35H,8-15,18H2
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n/an/a 3.65E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR by DELFIA


J Med Chem 53: 3169-82 (2010)


Article DOI: 10.1021/jm901783v
BindingDB Entry DOI: 10.7270/Q21J99XP
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50315732
PNG
(CHEMBL1092568 | {3-[5-Methyl-4-morpholin-4-yl-7-(p...)
Show SMILES Cn1cc(CN2CCCC2)c2nc(nc(N3CCOCC3)c12)-c1cccc(CO)c1
Show InChI InChI=1S/C23H29N5O2/c1-26-14-19(15-27-7-2-3-8-27)20-21(26)23(28-9-11-30-12-10-28)25-22(24-20)18-6-4-5-17(13-18)16-29/h4-6,13-14,29H,2-3,7-12,15-16H2,1H3
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n/an/a>4.00E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR by DELFIA


J Med Chem 53: 3169-82 (2010)


Article DOI: 10.1021/jm901783v
BindingDB Entry DOI: 10.7270/Q21J99XP
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50315731
PNG
(CHEMBL1088791 | [3-(5-Methyl-4-morpholin-4-yl-5H-p...)
Show SMILES Cn1ccc2nc(nc(N3CCOCC3)c12)-c1cccc(CO)c1
Show InChI InChI=1S/C18H20N4O2/c1-21-6-5-15-16(21)18(22-7-9-24-10-8-22)20-17(19-15)14-4-2-3-13(11-14)12-23/h2-6,11,23H,7-10,12H2,1H3
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n/an/a>4.00E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR by DELFIA


J Med Chem 53: 3169-82 (2010)


Article DOI: 10.1021/jm901783v
BindingDB Entry DOI: 10.7270/Q21J99XP
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50315732
PNG
(CHEMBL1092568 | {3-[5-Methyl-4-morpholin-4-yl-7-(p...)
Show SMILES Cn1cc(CN2CCCC2)c2nc(nc(N3CCOCC3)c12)-c1cccc(CO)c1
Show InChI InChI=1S/C23H29N5O2/c1-26-14-19(15-27-7-2-3-8-27)20-21(26)23(28-9-11-30-12-10-28)25-22(24-20)18-6-4-5-17(13-18)16-29/h4-6,13-14,29H,2-3,7-12,15-16H2,1H3
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n/an/a 4.21E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha by fluorescence polarization format assay


J Med Chem 53: 3169-82 (2010)


Article DOI: 10.1021/jm901783v
BindingDB Entry DOI: 10.7270/Q21J99XP
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50315726
PNG
(2-(3-Methylphenyl)-4-morpholin-4-yl-5H-pyrrolo[3,2...)
Show SMILES Cc1cccc(c1)-c1nc(N2CCOCC2)c2[nH]ccc2n1
Show InChI InChI=1S/C17H18N4O/c1-12-3-2-4-13(11-12)16-19-14-5-6-18-15(14)17(20-16)21-7-9-22-10-8-21/h2-6,11,18H,7-10H2,1H3
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n/an/a 5.00E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR by DELFIA


J Med Chem 53: 3169-82 (2010)


Article DOI: 10.1021/jm901783v
BindingDB Entry DOI: 10.7270/Q21J99XP
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50315733
PNG
(3-(4-Morpholin-4-yl-7-piperidin-4-yl-5H-pyrrolo[3,...)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2[nH]cc(C3CCNCC3)c2n1
Show InChI InChI=1S/C21H25N5O2/c27-16-3-1-2-15(12-16)20-24-18-17(14-4-6-22-7-5-14)13-23-19(18)21(25-20)26-8-10-28-11-9-26/h1-3,12-14,22-23,27H,4-11H2
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n/an/a 5.90E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR by DELFIA


J Med Chem 53: 3169-82 (2010)


Article DOI: 10.1021/jm901783v
BindingDB Entry DOI: 10.7270/Q21J99XP
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50315728
PNG
(3-(4-Morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-y...)
Show SMILES Nc1cccc(c1)-c1nc(N2CCOCC2)c2[nH]ccc2n1
Show InChI InChI=1S/C16H17N5O/c17-12-3-1-2-11(10-12)15-19-13-4-5-18-14(13)16(20-15)21-6-8-22-9-7-21/h1-5,10,18H,6-9,17H2
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n/an/a 7.50E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha by fluorescence polarization format assay


J Med Chem 53: 3169-82 (2010)


Article DOI: 10.1021/jm901783v
BindingDB Entry DOI: 10.7270/Q21J99XP
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%