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Compile Data Set for Download or QSAR

Found 164 hits with Last Name = 'abraham' and Initial = 'rt'   
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))
BDBM35595
PNG
(pyrazolo pyrimidine, 28)
Show SMILES COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(CO)cc2)cc1)N1CCOCC1
Show InChI InChI=1S/C30H34N8O5/c1-42-30(41)37-12-10-24(11-13-37)38-28-25(18-31-38)27(36-14-16-43-17-15-36)34-26(35-28)21-4-8-23(9-5-21)33-29(40)32-22-6-2-20(19-39)3-7-22/h2-9,18,24,39H,10-17,19H2,1H3,(H2,32,33,40)
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n/an/a 0.0800n/an/an/an/a7.423



Wyeth Research



Assay Description
The enzyme was assayed in DELFIA format using purified FLAG-TOR in kinase buffer containing ATP and His6-S6K in the presence of inhibitor compounds. ...


J Med Chem 52: 5013-6 (2009)


Article DOI: 10.1021/jm900851f
BindingDB Entry DOI: 10.7270/Q2SJ1HZD
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM35592
PNG
(pyrazolo pyrimidine, 24)
Show SMILES COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2cccnc2)cc1)N1CCOCC1
Show InChI InChI=1S/C28H31N9O4/c1-40-28(39)36-11-8-22(9-12-36)37-26-23(18-30-37)25(35-13-15-41-16-14-35)33-24(34-26)19-4-6-20(7-5-19)31-27(38)32-21-3-2-10-29-17-21/h2-7,10,17-18,22H,8-9,11-16H2,1H3,(H2,31,32,38)
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n/an/a 0.200n/an/an/an/a7.423



Wyeth Research



Assay Description
The enzyme was assayed in DELFIA format using purified FLAG-TOR in kinase buffer containing ATP and His6-S6K in the presence of inhibitor compounds. ...


J Med Chem 52: 5013-6 (2009)


Article DOI: 10.1021/jm900851f
BindingDB Entry DOI: 10.7270/Q2SJ1HZD
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM35593
PNG
(pyrazolo pyrimidine, 25)
Show SMILES COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccncc2)cc1)N1CCOCC1
Show InChI InChI=1S/C28H31N9O4/c1-40-28(39)36-12-8-22(9-13-36)37-26-23(18-30-37)25(35-14-16-41-17-15-35)33-24(34-26)19-2-4-20(5-3-19)31-27(38)32-21-6-10-29-11-7-21/h2-7,10-11,18,22H,8-9,12-17H2,1H3,(H2,29,31,32,38)
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n/an/a 0.300n/an/an/an/a7.423



Wyeth Research



Assay Description
The enzyme was assayed in DELFIA format using purified FLAG-TOR in kinase buffer containing ATP and His6-S6K in the presence of inhibitor compounds. ...


J Med Chem 52: 5013-6 (2009)


Article DOI: 10.1021/jm900851f
BindingDB Entry DOI: 10.7270/Q2SJ1HZD
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM35589
PNG
(pyrazolo pyrimidine, 21)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(CC3)C(=O)OC)c2n1
Show InChI InChI=1S/C25H32N8O4/c1-3-26-24(34)28-18-6-4-17(5-7-18)21-29-22(31-12-14-37-15-13-31)20-16-27-33(23(20)30-21)19-8-10-32(11-9-19)25(35)36-2/h4-7,16,19H,3,8-15H2,1-2H3,(H2,26,28,34)
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n/an/a 0.320n/an/an/an/a7.423



Wyeth Research



Assay Description
The enzyme was assayed in DELFIA format using purified FLAG-TOR in kinase buffer containing ATP and His6-S6K in the presence of inhibitor compounds. ...


J Med Chem 52: 5013-6 (2009)


Article DOI: 10.1021/jm900851f
BindingDB Entry DOI: 10.7270/Q2SJ1HZD
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM35594
PNG
(pyrazolo pyrimidine, 27)
Show SMILES COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)N2CCN(C)CC2)cc1)N1CCOCC1
Show InChI InChI=1S/C34H42N10O4/c1-40-15-17-41(18-16-40)27-9-7-26(8-10-27)37-33(45)36-25-5-3-24(4-6-25)30-38-31(42-19-21-48-22-20-42)29-23-35-44(32(29)39-30)28-11-13-43(14-12-28)34(46)47-2/h3-10,23,28H,11-22H2,1-2H3,(H2,36,37,45)
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n/an/a 0.340n/an/an/an/a7.423



Wyeth Research



Assay Description
The enzyme was assayed in DELFIA format using purified FLAG-TOR in kinase buffer containing ATP and His6-S6K in the presence of inhibitor compounds. ...


J Med Chem 52: 5013-6 (2009)


Article DOI: 10.1021/jm900851f
BindingDB Entry DOI: 10.7270/Q2SJ1HZD
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM35578
PNG
(pyrazolo pyrimidine, 10)
Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4cccnc4)CC3)c2n1
Show InChI InChI=1S/C28H33N9O2/c1-29-28(38)32-22-6-4-21(5-7-22)25-33-26(36-13-15-39-16-14-36)24-18-31-37(27(24)34-25)23-8-11-35(12-9-23)19-20-3-2-10-30-17-20/h2-7,10,17-18,23H,8-9,11-16,19H2,1H3,(H2,29,32,38)
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n/an/a 0.380n/an/an/an/a7.423



Wyeth Research



Assay Description
The enzyme was assayed in DELFIA format using purified FLAG-TOR in kinase buffer containing ATP and His6-S6K in the presence of inhibitor compounds. ...


J Med Chem 52: 5013-6 (2009)


Article DOI: 10.1021/jm900851f
BindingDB Entry DOI: 10.7270/Q2SJ1HZD
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM50308156
PNG
(CHEMBL592615 | N-[2-(Dimethylamino)ethyl]-4-({[4-(...)
Show SMILES CN(C)CCNC(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1
Show InChI InChI=1S/C29H37N9O4/c1-36(2)12-11-30-26(39)22-5-9-24(10-6-22)32-29(40)31-23-7-3-21(4-8-23)25-33-27(37-13-17-41-18-14-37)35-28(34-25)38-15-19-42-20-16-38/h3-10H,11-20H2,1-2H3,(H,30,39)(H2,31,32,40)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha


J Med Chem 53: 2636-45 (2010)


Article DOI: 10.1021/jm901830p
BindingDB Entry DOI: 10.7270/Q2862HDH
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM50378663
PNG
(CHEMBL1204015)
Show SMILES CN(C)CCN(C)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1
Show InChI InChI=1S/C30H39N9O4/c1-36(2)12-13-37(3)27(40)23-6-10-25(11-7-23)32-30(41)31-24-8-4-22(5-9-24)26-33-28(38-14-18-42-19-15-38)35-29(34-26)39-16-20-43-21-17-39/h4-11H,12-21H2,1-3H3,(H2,31,32,41)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha


J Med Chem 53: 2636-45 (2010)


Article DOI: 10.1021/jm901830p
BindingDB Entry DOI: 10.7270/Q2862HDH
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM50308135
PNG
(1-(4-{[4-(Dimethylamino)piperidin-1-yl]carbonyl}ph...)
Show SMILES CN(C)C1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1
Show InChI InChI=1S/C32H41N9O4/c1-38(2)27-11-13-39(14-12-27)29(42)24-5-9-26(10-6-24)34-32(43)33-25-7-3-23(4-8-25)28-35-30(40-15-19-44-20-16-40)37-31(36-28)41-17-21-45-22-18-41/h3-10,27H,11-22H2,1-2H3,(H2,33,34,43)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha


J Med Chem 53: 2636-45 (2010)


Article DOI: 10.1021/jm901830p
BindingDB Entry DOI: 10.7270/Q2862HDH
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM35591
PNG
(pyrazolo pyrimidine, 23)
Show SMILES COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)NC2CC2)cc1)N1CCOCC1
Show InChI InChI=1S/C26H32N8O4/c1-37-26(36)33-10-8-20(9-11-33)34-24-21(16-27-34)23(32-12-14-38-15-13-32)30-22(31-24)17-2-4-18(5-3-17)28-25(35)29-19-6-7-19/h2-5,16,19-20H,6-15H2,1H3,(H2,28,29,35)
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n/an/a 0.450n/an/an/an/a7.423



Wyeth Research



Assay Description
The enzyme was assayed in DELFIA format using purified FLAG-TOR in kinase buffer containing ATP and His6-S6K in the presence of inhibitor compounds. ...


J Med Chem 52: 5013-6 (2009)


Article DOI: 10.1021/jm900851f
BindingDB Entry DOI: 10.7270/Q2SJ1HZD
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM35585
PNG
(pyrazolo pyrimidine, 18)
Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(CC3)C(=O)OC)c2n1
Show InChI InChI=1S/C24H30N8O4/c1-25-23(33)27-17-5-3-16(4-6-17)20-28-21(30-11-13-36-14-12-30)19-15-26-32(22(19)29-20)18-7-9-31(10-8-18)24(34)35-2/h3-6,15,18H,7-14H2,1-2H3,(H2,25,27,33)
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n/an/a 0.460n/an/an/an/a7.423



Wyeth Research



Assay Description
The enzyme was assayed in DELFIA format using purified FLAG-TOR in kinase buffer containing ATP and His6-S6K in the presence of inhibitor compounds. ...


J Med Chem 52: 5013-6 (2009)


Article DOI: 10.1021/jm900851f
BindingDB Entry DOI: 10.7270/Q2SJ1HZD
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM50378662
PNG
(CHEMBL1204014)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1
Show InChI InChI=1S/C30H37N9O4/c1-36-10-12-37(13-11-36)27(40)23-4-8-25(9-5-23)32-30(41)31-24-6-2-22(3-7-24)26-33-28(38-14-18-42-19-15-38)35-29(34-26)39-16-20-43-21-17-39/h2-9H,10-21H2,1H3,(H2,31,32,41)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha


J Med Chem 53: 2636-45 (2010)


Article DOI: 10.1021/jm901830p
BindingDB Entry DOI: 10.7270/Q2862HDH
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50308156
PNG
(CHEMBL592615 | N-[2-(Dimethylamino)ethyl]-4-({[4-(...)
Show SMILES CN(C)CCNC(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1
Show InChI InChI=1S/C29H37N9O4/c1-36(2)12-11-30-26(39)22-5-9-24(10-6-22)32-29(40)31-23-7-3-21(4-8-23)25-33-27(37-13-17-41-18-14-37)35-28(34-25)38-15-19-42-20-16-38/h3-10H,11-20H2,1-2H3,(H,30,39)(H2,31,32,40)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR


J Med Chem 53: 2636-45 (2010)


Article DOI: 10.1021/jm901830p
BindingDB Entry DOI: 10.7270/Q2862HDH
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM35580
PNG
(pyrazolo pyrimidine, 13)
Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1
Show InChI InChI=1S/C29H34N8O2/c1-30-29(38)32-23-9-7-22(8-10-23)26-33-27(36-15-17-39-18-16-36)25-19-31-37(28(25)34-26)24-11-13-35(14-12-24)20-21-5-3-2-4-6-21/h2-10,19,24H,11-18,20H2,1H3,(H2,30,32,38)
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Wyeth Research



Assay Description
The enzyme was assayed in DELFIA format using purified FLAG-TOR in kinase buffer containing ATP and His6-S6K in the presence of inhibitor compounds. ...


J Med Chem 52: 5013-6 (2009)


Article DOI: 10.1021/jm900851f
BindingDB Entry DOI: 10.7270/Q2SJ1HZD
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50378663
PNG
(CHEMBL1204015)
Show SMILES CN(C)CCN(C)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1
Show InChI InChI=1S/C30H39N9O4/c1-36(2)12-13-37(3)27(40)23-6-10-25(11-7-23)32-30(41)31-24-8-4-22(5-9-24)26-33-28(38-14-18-42-19-15-38)35-29(34-26)39-16-20-43-21-17-39/h4-11H,12-21H2,1-3H3,(H2,31,32,41)
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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


J Med Chem 53: 2636-45 (2010)


Article DOI: 10.1021/jm901830p
BindingDB Entry DOI: 10.7270/Q2862HDH
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM50308137
PNG
(1-(4-(1,4'-bipiperidine-1'-carbonyl)phenyl)-3-(4-(...)
Show SMILES O=C(Nc1ccc(cc1)C(=O)N1CCC(CC1)N1CCCCC1)Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C35H45N9O4/c45-32(42-16-12-30(13-17-42)41-14-2-1-3-15-41)27-6-10-29(11-7-27)37-35(46)36-28-8-4-26(5-9-28)31-38-33(43-18-22-47-23-19-43)40-34(39-31)44-20-24-48-25-21-44/h4-11,30H,1-3,12-25H2,(H2,36,37,46)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha


J Med Chem 53: 2636-45 (2010)


Article DOI: 10.1021/jm901830p
BindingDB Entry DOI: 10.7270/Q2862HDH
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM35590
PNG
(pyrazolo pyrimidine, 22)
Show SMILES COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)NCCF)cc1)N1CCOCC1
Show InChI InChI=1S/C25H31FN8O4/c1-37-25(36)33-10-6-19(7-11-33)34-23-20(16-28-34)22(32-12-14-38-15-13-32)30-21(31-23)17-2-4-18(5-3-17)29-24(35)27-9-8-26/h2-5,16,19H,6-15H2,1H3,(H2,27,29,35)
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Wyeth Research



Assay Description
The enzyme was assayed in DELFIA format using purified FLAG-TOR in kinase buffer containing ATP and His6-S6K in the presence of inhibitor compounds. ...


J Med Chem 52: 5013-6 (2009)


Article DOI: 10.1021/jm900851f
BindingDB Entry DOI: 10.7270/Q2SJ1HZD
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50308137
PNG
(1-(4-(1,4'-bipiperidine-1'-carbonyl)phenyl)-3-(4-(...)
Show SMILES O=C(Nc1ccc(cc1)C(=O)N1CCC(CC1)N1CCCCC1)Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C35H45N9O4/c45-32(42-16-12-30(13-17-42)41-14-2-1-3-15-41)27-6-10-29(11-7-27)37-35(46)36-28-8-4-26(5-9-28)31-38-33(43-18-22-47-23-19-43)40-34(39-31)44-20-24-48-25-21-44/h4-11,30H,1-3,12-25H2,(H2,36,37,46)
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n/an/a 0.700n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR


J Med Chem 53: 2636-45 (2010)


Article DOI: 10.1021/jm901830p
BindingDB Entry DOI: 10.7270/Q2862HDH
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50308155
PNG
(4-(3-(4-(4,6-Dimorpholino-1,3,5-triazin-2-yl)pheny...)
Show SMILES CNC(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1
Show InChI InChI=1S/C26H30N8O4/c1-27-23(35)19-4-8-21(9-5-19)29-26(36)28-20-6-2-18(3-7-20)22-30-24(33-10-14-37-15-11-33)32-25(31-22)34-12-16-38-17-13-34/h2-9H,10-17H2,1H3,(H,27,35)(H2,28,29,36)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR


J Med Chem 53: 2636-45 (2010)


Article DOI: 10.1021/jm901830p
BindingDB Entry DOI: 10.7270/Q2862HDH
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM50308136
PNG
(1-[4-(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)-phe...)
Show SMILES O=C(Nc1ccc(cc1)C(=O)N1CCC(CC1)N1CCCC1)Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C34H43N9O4/c44-31(41-15-11-29(12-16-41)40-13-1-2-14-40)26-5-9-28(10-6-26)36-34(45)35-27-7-3-25(4-8-27)30-37-32(42-17-21-46-22-18-42)39-33(38-30)43-19-23-47-24-20-43/h3-10,29H,1-2,11-24H2,(H2,35,36,45)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha


J Med Chem 53: 2636-45 (2010)


Article DOI: 10.1021/jm901830p
BindingDB Entry DOI: 10.7270/Q2862HDH
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50308136
PNG
(1-[4-(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)-phe...)
Show SMILES O=C(Nc1ccc(cc1)C(=O)N1CCC(CC1)N1CCCC1)Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C34H43N9O4/c44-31(41-15-11-29(12-16-41)40-13-1-2-14-40)26-5-9-28(10-6-26)36-34(45)35-27-7-3-25(4-8-27)30-37-32(42-17-21-46-22-18-42)39-33(38-30)43-19-23-47-24-20-43/h3-10,29H,1-2,11-24H2,(H2,35,36,45)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR


J Med Chem 53: 2636-45 (2010)


Article DOI: 10.1021/jm901830p
BindingDB Entry DOI: 10.7270/Q2862HDH
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM35586
PNG
(pyrazolo pyrimidine, 26)
Show SMILES O=C(Nc1ccncc1)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(CC3)C(=O)c3cccnc3)c2n1
Show InChI InChI=1S/C32H32N10O3/c43-31(23-2-1-11-34-20-23)41-14-9-26(10-15-41)42-30-27(21-35-42)29(40-16-18-45-19-17-40)38-28(39-30)22-3-5-24(6-4-22)36-32(44)37-25-7-12-33-13-8-25/h1-8,11-13,20-21,26H,9-10,14-19H2,(H2,33,36,37,44)
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n/an/a 0.830n/an/an/an/a7.423



Wyeth Research



Assay Description
The enzyme was assayed in DELFIA format using purified FLAG-TOR in kinase buffer containing ATP and His6-S6K in the presence of inhibitor compounds. ...


J Med Chem 52: 5013-6 (2009)


Article DOI: 10.1021/jm900851f
BindingDB Entry DOI: 10.7270/Q2SJ1HZD
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM50308147
PNG
(1-[4-(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)-phe...)
Show SMILES OCc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1
Show InChI InChI=1S/C25H29N7O4/c33-17-18-1-5-20(6-2-18)26-25(34)27-21-7-3-19(4-8-21)22-28-23(31-9-13-35-14-10-31)30-24(29-22)32-11-15-36-16-12-32/h1-8,33H,9-17H2,(H2,26,27,34)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha


J Med Chem 53: 2636-45 (2010)


Article DOI: 10.1021/jm901830p
BindingDB Entry DOI: 10.7270/Q2862HDH
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM35588
PNG
(pyrazolo pyrimidine, 20)
Show SMILES COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)OCCO)cc1)N1CCOCC1
Show InChI InChI=1S/C25H31N7O6/c1-36-25(35)31-8-6-19(7-9-31)32-23-20(16-26-32)22(30-10-13-37-14-11-30)28-21(29-23)17-2-4-18(5-3-17)27-24(34)38-15-12-33/h2-5,16,19,33H,6-15H2,1H3,(H,27,34)
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Wyeth Research



Assay Description
The enzyme was assayed in DELFIA format using purified FLAG-TOR in kinase buffer containing ATP and His6-S6K in the presence of inhibitor compounds. ...


J Med Chem 52: 5013-6 (2009)


Article DOI: 10.1021/jm900851f
BindingDB Entry DOI: 10.7270/Q2SJ1HZD
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM35584
PNG
(pyrazolo pyrimidine, 17)
Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(CC3)C(=O)N(C)C)c2n1
Show InChI InChI=1S/C25H33N9O3/c1-26-24(35)28-18-6-4-17(5-7-18)21-29-22(32-12-14-37-15-13-32)20-16-27-34(23(20)30-21)19-8-10-33(11-9-19)25(36)31(2)3/h4-7,16,19H,8-15H2,1-3H3,(H2,26,28,35)
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Wyeth Research



Assay Description
The enzyme was assayed in DELFIA format using purified FLAG-TOR in kinase buffer containing ATP and His6-S6K in the presence of inhibitor compounds. ...


J Med Chem 52: 5013-6 (2009)


Article DOI: 10.1021/jm900851f
BindingDB Entry DOI: 10.7270/Q2SJ1HZD
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50308151
PNG
(1-[4-(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)-phe...)
Show SMILES O=C(Nc1ccncc1)Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C23H26N8O3/c32-23(26-19-5-7-24-8-6-19)25-18-3-1-17(2-4-18)20-27-21(30-9-13-33-14-10-30)29-22(28-20)31-11-15-34-16-12-31/h1-8H,9-16H2,(H2,24,25,26,32)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR


J Med Chem 53: 2636-45 (2010)


Article DOI: 10.1021/jm901830p
BindingDB Entry DOI: 10.7270/Q2862HDH
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50308150
PNG
(1-[4-(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)-phe...)
Show SMILES O=C(Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1)Nc1cccnc1
Show InChI InChI=1S/C23H26N8O3/c32-23(26-19-2-1-7-24-16-19)25-18-5-3-17(4-6-18)20-27-21(30-8-12-33-13-9-30)29-22(28-20)31-10-14-34-15-11-31/h1-7,16H,8-15H2,(H2,25,26,32)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR


J Med Chem 53: 2636-45 (2010)


Article DOI: 10.1021/jm901830p
BindingDB Entry DOI: 10.7270/Q2862HDH
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50378662
PNG
(CHEMBL1204014)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1
Show InChI InChI=1S/C30H37N9O4/c1-36-10-12-37(13-11-36)27(40)23-4-8-25(9-5-23)32-30(41)31-24-6-2-22(3-7-24)26-33-28(38-14-18-42-19-15-38)35-29(34-26)39-16-20-43-21-17-39/h2-9H,10-21H2,1H3,(H2,31,32,41)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR


J Med Chem 53: 2636-45 (2010)


Article DOI: 10.1021/jm901830p
BindingDB Entry DOI: 10.7270/Q2862HDH
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM35579
PNG
(pyrazolo pyrimidine, 6)
Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCNCC3)c2n1
Show InChI InChI=1S/C22H28N8O2/c1-23-22(31)26-16-4-2-15(3-5-16)19-27-20(29-10-12-32-13-11-29)18-14-25-30(21(18)28-19)17-6-8-24-9-7-17/h2-5,14,17,24H,6-13H2,1H3,(H2,23,26,31)
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Wyeth Research



Assay Description
The enzyme was assayed in DELFIA format using purified FLAG-TOR in kinase buffer containing ATP and His6-S6K in the presence of inhibitor compounds. ...


J Med Chem 52: 5013-6 (2009)


Article DOI: 10.1021/jm900851f
BindingDB Entry DOI: 10.7270/Q2SJ1HZD
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50308154
PNG
(4-[3-{4-(4,6-Dimorpholino-1,3,5-triazin-2yl)-pheny...)
Show SMILES OC(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1
Show InChI InChI=1S/C25H27N7O5/c33-22(34)18-3-7-20(8-4-18)27-25(35)26-19-5-1-17(2-6-19)21-28-23(31-9-13-36-14-10-31)30-24(29-21)32-11-15-37-16-12-32/h1-8H,9-16H2,(H,33,34)(H2,26,27,35)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR


J Med Chem 53: 2636-45 (2010)


Article DOI: 10.1021/jm901830p
BindingDB Entry DOI: 10.7270/Q2862HDH
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM50308155
PNG
(4-(3-(4-(4,6-Dimorpholino-1,3,5-triazin-2-yl)pheny...)
Show SMILES CNC(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1
Show InChI InChI=1S/C26H30N8O4/c1-27-23(35)19-4-8-21(9-5-19)29-26(36)28-20-6-2-18(3-7-20)22-30-24(33-10-14-37-15-11-33)32-25(31-22)34-12-16-38-17-13-34/h2-9H,10-17H2,1H3,(H,27,35)(H2,28,29,36)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha


J Med Chem 53: 2636-45 (2010)


Article DOI: 10.1021/jm901830p
BindingDB Entry DOI: 10.7270/Q2862HDH
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM50308148
PNG
(1-[4-(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)-phe...)
Show SMILES OCCc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1
Show InChI InChI=1S/C26H31N7O4/c34-14-9-19-1-5-21(6-2-19)27-26(35)28-22-7-3-20(4-8-22)23-29-24(32-10-15-36-16-11-32)31-25(30-23)33-12-17-37-18-13-33/h1-8,34H,9-18H2,(H2,27,28,35)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha


J Med Chem 53: 2636-45 (2010)


Article DOI: 10.1021/jm901830p
BindingDB Entry DOI: 10.7270/Q2862HDH
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM35577
PNG
(pyrazolo pyrimidine, 12)
Show SMILES OCCOC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4cccnc4)CC3)c2n1
Show InChI InChI=1S/C29H34N8O4/c38-14-17-41-29(39)32-23-5-3-22(4-6-23)26-33-27(36-12-15-40-16-13-36)25-19-31-37(28(25)34-26)24-7-10-35(11-8-24)20-21-2-1-9-30-18-21/h1-6,9,18-19,24,38H,7-8,10-17,20H2,(H,32,39)
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Wyeth Research



Assay Description
The enzyme was assayed in DELFIA format using purified FLAG-TOR in kinase buffer containing ATP and His6-S6K in the presence of inhibitor compounds. ...


J Med Chem 52: 5013-6 (2009)


Article DOI: 10.1021/jm900851f
BindingDB Entry DOI: 10.7270/Q2SJ1HZD
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50308135
PNG
(1-(4-{[4-(Dimethylamino)piperidin-1-yl]carbonyl}ph...)
Show SMILES CN(C)C1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1
Show InChI InChI=1S/C32H41N9O4/c1-38(2)27-11-13-39(14-12-27)29(42)24-5-9-26(10-6-24)34-32(43)33-25-7-3-23(4-8-25)28-35-30(40-15-19-44-20-16-40)37-31(36-28)41-17-21-45-22-18-41/h3-10,27H,11-22H2,1-2H3,(H2,33,34,43)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR


J Med Chem 53: 2636-45 (2010)


Article DOI: 10.1021/jm901830p
BindingDB Entry DOI: 10.7270/Q2862HDH
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM50308150
PNG
(1-[4-(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)-phe...)
Show SMILES O=C(Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1)Nc1cccnc1
Show InChI InChI=1S/C23H26N8O3/c32-23(26-19-2-1-7-24-16-19)25-18-5-3-17(4-6-18)20-27-21(30-8-12-33-13-9-30)29-22(28-20)31-10-14-34-15-11-31/h1-7,16H,8-15H2,(H2,25,26,32)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha


J Med Chem 53: 2636-45 (2010)


Article DOI: 10.1021/jm901830p
BindingDB Entry DOI: 10.7270/Q2862HDH
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50308149
PNG
(1-[4-(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)-phe...)
Show SMILES O=C(Nc1cccs1)Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C22H25N7O3S/c30-22(24-18-2-1-15-33-18)23-17-5-3-16(4-6-17)19-25-20(28-7-11-31-12-8-28)27-21(26-19)29-9-13-32-14-10-29/h1-6,15H,7-14H2,(H2,23,24,30)
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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


J Med Chem 53: 2636-45 (2010)


Article DOI: 10.1021/jm901830p
BindingDB Entry DOI: 10.7270/Q2862HDH
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50308148
PNG
(1-[4-(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)-phe...)
Show SMILES OCCc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1
Show InChI InChI=1S/C26H31N7O4/c34-14-9-19-1-5-21(6-2-19)27-26(35)28-22-7-3-20(4-8-22)23-29-24(32-10-15-36-16-11-32)31-25(30-23)33-12-17-37-18-13-33/h1-8,34H,9-18H2,(H2,27,28,35)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR


J Med Chem 53: 2636-45 (2010)


Article DOI: 10.1021/jm901830p
BindingDB Entry DOI: 10.7270/Q2862HDH
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50308147
PNG
(1-[4-(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)-phe...)
Show SMILES OCc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1
Show InChI InChI=1S/C25H29N7O4/c33-17-18-1-5-20(6-2-18)26-25(34)27-21-7-3-19(4-8-21)22-28-23(31-9-13-35-14-10-31)30-24(29-22)32-11-15-36-16-12-32/h1-8,33H,9-17H2,(H2,26,27,34)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR


J Med Chem 53: 2636-45 (2010)


Article DOI: 10.1021/jm901830p
BindingDB Entry DOI: 10.7270/Q2862HDH
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM50308149
PNG
(1-[4-(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)-phe...)
Show SMILES O=C(Nc1cccs1)Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C22H25N7O3S/c30-22(24-18-2-1-15-33-18)23-17-5-3-16(4-6-17)19-25-20(28-7-11-31-12-8-28)27-21(26-19)29-9-13-32-14-10-29/h1-6,15H,7-14H2,(H2,23,24,30)
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n/an/a 2n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha


J Med Chem 53: 2636-45 (2010)


Article DOI: 10.1021/jm901830p
BindingDB Entry DOI: 10.7270/Q2862HDH
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM35583
PNG
(pyrazolo pyrimidine, 16)
Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(CC3)C(=O)NC)c2n1
Show InChI InChI=1S/C24H31N9O3/c1-25-23(34)28-17-5-3-16(4-6-17)20-29-21(31-11-13-36-14-12-31)19-15-27-33(22(19)30-20)18-7-9-32(10-8-18)24(35)26-2/h3-6,15,18H,7-14H2,1-2H3,(H,26,35)(H2,25,28,34)
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n/an/a 2n/an/an/an/a7.423



Wyeth Research



Assay Description
The enzyme was assayed in DELFIA format using purified FLAG-TOR in kinase buffer containing ATP and His6-S6K in the presence of inhibitor compounds. ...


J Med Chem 52: 5013-6 (2009)


Article DOI: 10.1021/jm900851f
BindingDB Entry DOI: 10.7270/Q2SJ1HZD
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM35582
PNG
(pyrazolo pyrimidine, 15)
Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(CC3)C(C)=O)c2n1
Show InChI InChI=1S/C24H30N8O3/c1-16(33)30-9-7-19(8-10-30)32-23-20(15-26-32)22(31-11-13-35-14-12-31)28-21(29-23)17-3-5-18(6-4-17)27-24(34)25-2/h3-6,15,19H,7-14H2,1-2H3,(H2,25,27,34)
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n/an/a 2.10n/an/an/an/a7.423



Wyeth Research



Assay Description
The enzyme was assayed in DELFIA format using purified FLAG-TOR in kinase buffer containing ATP and His6-S6K in the presence of inhibitor compounds. ...


J Med Chem 52: 5013-6 (2009)


Article DOI: 10.1021/jm900851f
BindingDB Entry DOI: 10.7270/Q2SJ1HZD
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50308152
PNG
(1-[4-(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)-phe...)
Show SMILES O=C(Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1)Nc1ccnnc1
Show InChI InChI=1S/C22H25N9O3/c32-22(26-18-5-6-23-24-15-18)25-17-3-1-16(2-4-17)19-27-20(30-7-11-33-12-8-30)29-21(28-19)31-9-13-34-14-10-31/h1-6,15H,7-14H2,(H2,23,25,26,32)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR


J Med Chem 53: 2636-45 (2010)


Article DOI: 10.1021/jm901830p
BindingDB Entry DOI: 10.7270/Q2862HDH
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50308153
PNG
(4-(3-(4-(4,6-Dimorpholino-1,3,5-triazin-2-yl)pheny...)
Show SMILES COC(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1
Show InChI InChI=1S/C26H29N7O5/c1-36-23(34)19-4-8-21(9-5-19)28-26(35)27-20-6-2-18(3-7-20)22-29-24(32-10-14-37-15-11-32)31-25(30-22)33-12-16-38-17-13-33/h2-9H,10-17H2,1H3,(H2,27,28,35)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR


J Med Chem 53: 2636-45 (2010)


Article DOI: 10.1021/jm901830p
BindingDB Entry DOI: 10.7270/Q2862HDH
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM50308151
PNG
(1-[4-(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)-phe...)
Show SMILES O=C(Nc1ccncc1)Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C23H26N8O3/c32-23(26-19-5-7-24-8-6-19)25-18-3-1-17(2-4-18)20-27-21(30-9-13-33-14-10-30)29-22(28-20)31-11-15-34-16-12-31/h1-8H,9-16H2,(H2,24,25,26,32)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha


J Med Chem 53: 2636-45 (2010)


Article DOI: 10.1021/jm901830p
BindingDB Entry DOI: 10.7270/Q2862HDH
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM50308140
PNG
(1-[4-(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)phen...)
Show SMILES O=C(Nc1ccccc1)Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C24H27N7O3/c32-24(25-19-4-2-1-3-5-19)26-20-8-6-18(7-9-20)21-27-22(30-10-14-33-15-11-30)29-23(28-21)31-12-16-34-17-13-31/h1-9H,10-17H2,(H2,25,26,32)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha


J Med Chem 53: 2636-45 (2010)


Article DOI: 10.1021/jm901830p
BindingDB Entry DOI: 10.7270/Q2862HDH
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50308140
PNG
(1-[4-(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)phen...)
Show SMILES O=C(Nc1ccccc1)Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C24H27N7O3/c32-24(25-19-4-2-1-3-5-19)26-20-8-6-18(7-9-20)21-27-22(30-10-14-33-15-11-30)29-23(28-21)31-12-16-34-17-13-31/h1-9H,10-17H2,(H2,25,26,32)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR


J Med Chem 53: 2636-45 (2010)


Article DOI: 10.1021/jm901830p
BindingDB Entry DOI: 10.7270/Q2862HDH
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50308143
PNG
(1-[4-(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)-phe...)
Show SMILES Fc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1
Show InChI InChI=1S/C24H26FN7O3/c25-18-3-7-20(8-4-18)27-24(33)26-19-5-1-17(2-6-19)21-28-22(31-9-13-34-14-10-31)30-23(29-21)32-11-15-35-16-12-32/h1-8H,9-16H2,(H2,26,27,33)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR


J Med Chem 53: 2636-45 (2010)


Article DOI: 10.1021/jm901830p
BindingDB Entry DOI: 10.7270/Q2862HDH
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM35587
PNG
(pyrazolo pyrimidine, 19)
Show SMILES COC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(CC3)C(=O)OC)c2n1
Show InChI InChI=1S/C24H29N7O5/c1-34-23(32)26-17-5-3-16(4-6-17)20-27-21(29-11-13-36-14-12-29)19-15-25-31(22(19)28-20)18-7-9-30(10-8-18)24(33)35-2/h3-6,15,18H,7-14H2,1-2H3,(H,26,32)
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n/an/a 4.30n/an/an/an/a7.423



Wyeth Research



Assay Description
The enzyme was assayed in DELFIA format using purified FLAG-TOR in kinase buffer containing ATP and His6-S6K in the presence of inhibitor compounds. ...


J Med Chem 52: 5013-6 (2009)


Article DOI: 10.1021/jm900851f
BindingDB Entry DOI: 10.7270/Q2SJ1HZD
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM35575
PNG
(pyrazolo pyrimidine, 9)
Show SMILES COC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4cccnc4)CC3)c2n1
Show InChI InChI=1S/C28H32N8O3/c1-38-28(37)31-22-6-4-21(5-7-22)25-32-26(35-13-15-39-16-14-35)24-18-30-36(27(24)33-25)23-8-11-34(12-9-23)19-20-3-2-10-29-17-20/h2-7,10,17-18,23H,8-9,11-16,19H2,1H3,(H,31,37)
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n/an/a 4.60n/an/an/an/a7.423



Wyeth Research



Assay Description
The enzyme was assayed in DELFIA format using purified FLAG-TOR in kinase buffer containing ATP and His6-S6K in the presence of inhibitor compounds. ...


J Med Chem 52: 5013-6 (2009)


Article DOI: 10.1021/jm900851f
BindingDB Entry DOI: 10.7270/Q2SJ1HZD
More data for this
Ligand-Target Pair
PI3-kinase subunit gamma


(Homo sapiens (human))
BDBM50308135
PNG
(1-(4-{[4-(Dimethylamino)piperidin-1-yl]carbonyl}ph...)
Show SMILES CN(C)C1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1
Show InChI InChI=1S/C32H41N9O4/c1-38(2)27-11-13-39(14-12-27)29(42)24-5-9-26(10-6-24)34-32(43)33-25-7-3-23(4-8-25)28-35-30(40-15-19-44-20-16-40)37-31(36-28)41-17-21-45-22-18-41/h3-10,27H,11-22H2,1-2H3,(H2,33,34,43)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma


J Med Chem 53: 2636-45 (2010)


Article DOI: 10.1021/jm901830p
BindingDB Entry DOI: 10.7270/Q2862HDH
More data for this
Ligand-Target Pair
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