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PubMed code 20166697

Compile data set for download or QSAR
Found 71 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
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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n/an/a 0.400n/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
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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n/an/a 0.400n/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
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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n/an/a 0.400n/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
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))
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))
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 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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n/an/a 0.700n/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))
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
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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n/an/a 0.800n/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))
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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n/an/a 1n/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))
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
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
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
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
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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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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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))
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))
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
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
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))
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
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
PI3-kinase subunit delta


(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 PI3Kdelta


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


(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 PI3Kbeta


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))
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 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))
BDBM50308144
PNG
(1-[4-(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)-phe...)
Show SMILES Cc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1
Show InChI InChI=1S/C25H29N7O3/c1-18-2-6-20(7-3-18)26-25(33)27-21-8-4-19(5-9-21)22-28-23(31-10-14-34-15-11-31)30-24(29-22)32-12-16-35-17-13-32/h2-9H,10-17H2,1H3,(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
PI3-kinase subunit alpha


(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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n/an/a 6.5n/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))
BDBM50308145
PNG
(1-(4-Chlorophenyl)-3-[4-(4,6-dimorpholin-4-yl-1,3,...)
Show SMILES Clc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1
Show InChI InChI=1S/C24H26ClN7O3/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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n/an/a 6.70n/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
PI3-kinase subunit gamma


(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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n/an/a 8n/an/an/an/an/an/a



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
PI3-kinase subunit gamma


(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 9n/an/an/an/an/an/a



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
PI3-kinase subunit gamma


(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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n/an/a 9n/an/an/an/an/an/a



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
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50308146
PNG
((2,4-Difluorophenyl)-3-[4-(4,6-dimorpholin-4-yl-1,...)
Show SMILES Fc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)c(F)c1
Show InChI InChI=1S/C24H25F2N7O3/c25-17-3-6-20(19(26)15-17)28-24(34)27-18-4-1-16(2-5-18)21-29-22(32-7-11-35-12-8-32)31-23(30-21)33-9-13-36-14-10-33/h1-6,15H,7-14H2,(H2,27,28,34)
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n/an/a 9.30n/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 gamma


(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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n/an/a 10n/an/an/an/an/an/a



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
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50308141
PNG
(1-[4-(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)-phe...)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C20H27N7O3/c1-2-21-20(28)22-16-5-3-15(4-6-16)17-23-18(26-7-11-29-12-8-26)25-19(24-17)27-9-13-30-14-10-27/h3-6H,2,7-14H2,1H3,(H2,21,22,28)
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n/an/a 10n/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 gamma


(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 10n/an/an/an/an/an/a



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
PI3-kinase subunit alpha


(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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n/an/a 11n/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))
BDBM50308142
PNG
(1-(4-(4,6-dimorpholino-1,3,5-triazin-2-yl)phenyl)-...)
Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C19H25N7O3/c1-20-19(27)21-15-4-2-14(3-5-15)16-22-17(25-6-10-28-11-7-25)24-18(23-16)26-8-12-29-13-9-26/h2-5H,6-13H2,1H3,(H2,20,21,27)
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n/an/a 11.3n/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))
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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n/an/a 12.5n/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
PI3-kinase subunit gamma


(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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n/an/a 14.5n/an/an/an/an/an/a



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
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM50308144
PNG
(1-[4-(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)-phe...)
Show SMILES Cc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1
Show InChI InChI=1S/C25H29N7O3/c1-18-2-6-20(7-3-18)26-25(33)27-21-8-4-19(5-9-21)22-28-23(31-10-14-34-15-11-31)30-24(29-22)32-12-16-35-17-13-32/h2-9H,10-17H2,1H3,(H2,26,27,33)
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n/an/a 16.5n/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
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM50308145
PNG
(1-(4-Chlorophenyl)-3-[4-(4,6-dimorpholin-4-yl-1,3,...)
Show SMILES Clc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1
Show InChI InChI=1S/C24H26ClN7O3/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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n/an/a 19.5n/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
PI3-kinase subunit gamma


(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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n/an/a 20n/an/an/an/an/an/a



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
PI3-kinase subunit gamma


(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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n/an/a 21.5n/an/an/an/an/an/a



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
PI3-kinase subunit gamma


(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 23n/an/an/an/an/an/a



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
PI3-kinase subunit gamma


(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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n/an/a 27n/an/an/an/an/an/a



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
PI3-kinase subunit gamma


(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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n/an/a 28.5n/an/an/an/an/an/a



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
PI3-kinase subunit gamma


(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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n/an/a 34n/an/an/an/an/an/a



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
PI3-kinase subunit gamma


(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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n/an/a 48.5n/an/an/an/an/an/a



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
PI3-kinase subunit gamma


(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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n/an/a 52.5n/an/an/an/an/an/a



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
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM50308146
PNG
((2,4-Difluorophenyl)-3-[4-(4,6-dimorpholin-4-yl-1,...)
Show SMILES Fc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)c(F)c1
Show InChI InChI=1S/C24H25F2N7O3/c25-17-3-6-20(19(26)15-17)28-24(34)27-18-4-1-16(2-5-18)21-29-22(32-7-11-35-12-8-32)31-23(30-21)33-9-13-36-14-10-33/h1-6,15H,7-14H2,(H2,27,28,34)
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n/an/a 60.5n/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
PI3-kinase subunit gamma


(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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n/an/a 65n/an/an/an/an/an/a



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
PI3-kinase subunit gamma


(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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n/an/a 85n/an/an/an/an/an/a



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
PI3-kinase subunit gamma


(Homo sapiens (human))
BDBM50308145
PNG
(1-(4-Chlorophenyl)-3-[4-(4,6-dimorpholin-4-yl-1,3,...)
Show SMILES Clc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1
Show InChI InChI=1S/C24H26ClN7O3/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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n/an/a 220n/an/an/an/an/an/a



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
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM50308141
PNG
(1-[4-(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)-phe...)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C20H27N7O3/c1-2-21-20(28)22-16-5-3-15(4-6-16)17-23-18(26-7-11-29-12-8-26)25-19(24-17)27-9-13-30-14-10-27/h3-6H,2,7-14H2,1H3,(H2,21,22,28)
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n/an/a 248n/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
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM50308142
PNG
(1-(4-(4,6-dimorpholino-1,3,5-triazin-2-yl)phenyl)-...)
Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C19H25N7O3/c1-20-19(27)21-15-4-2-14(3-5-15)16-22-17(25-6-10-28-11-7-25)24-18(23-16)26-8-12-29-13-9-26/h2-5H,6-13H2,1H3,(H2,20,21,27)
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n/an/a 350n/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
PI3-kinase subunit gamma


(Homo sapiens (human))
BDBM50308144
PNG
(1-[4-(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)-phe...)
Show SMILES Cc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1
Show InChI InChI=1S/C25H29N7O3/c1-18-2-6-20(7-3-18)26-25(33)27-21-8-4-19(5-9-21)22-28-23(31-10-14-34-15-11-31)30-24(29-22)32-12-16-35-17-13-32/h2-9H,10-17H2,1H3,(H2,26,27,33)
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n/an/a 438n/an/an/an/an/an/a



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
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50308138
PNG
(1-(4-(4,6-dimorpholino-1,3,5-triazin-2-yl)phenyl)-...)
Show SMILES O=C(NN1CCCCC1)Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C23H32N8O3/c32-23(28-31-8-2-1-3-9-31)24-19-6-4-18(5-7-19)20-25-21(29-10-14-33-15-11-29)27-22(26-20)30-12-16-34-17-13-30/h4-7H,1-3,8-17H2,(H2,24,28,32)
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n/an/a 460n/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 gamma


(Homo sapiens (human))
BDBM50308146
PNG
((2,4-Difluorophenyl)-3-[4-(4,6-dimorpholin-4-yl-1,...)
Show SMILES Fc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)c(F)c1
Show InChI InChI=1S/C24H25F2N7O3/c25-17-3-6-20(19(26)15-17)28-24(34)27-18-4-1-16(2-5-18)21-29-22(32-7-11-35-12-8-32)31-23(30-21)33-9-13-36-14-10-33/h1-6,15H,7-14H2,(H2,27,28,34)
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n/an/a 528n/an/an/an/an/an/a



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
PI3-kinase subunit gamma


(Homo sapiens (human))
BDBM50308142
PNG
(1-(4-(4,6-dimorpholino-1,3,5-triazin-2-yl)phenyl)-...)
Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C19H25N7O3/c1-20-19(27)21-15-4-2-14(3-5-15)16-22-17(25-6-10-28-11-7-25)24-18(23-16)26-8-12-29-13-9-26/h2-5H,6-13H2,1H3,(H2,20,21,27)
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n/an/a 789n/an/an/an/an/an/a



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
PI3-kinase subunit gamma


(Homo sapiens (human))
BDBM50308141
PNG
(1-[4-(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)-phe...)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C20H27N7O3/c1-2-21-20(28)22-16-5-3-15(4-6-16)17-23-18(26-7-11-29-12-8-26)25-19(24-17)27-9-13-30-14-10-27/h3-6H,2,7-14H2,1H3,(H2,21,22,28)
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n/an/a 815n/an/an/an/an/an/a



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
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM50308138
PNG
(1-(4-(4,6-dimorpholino-1,3,5-triazin-2-yl)phenyl)-...)
Show SMILES O=C(NN1CCCCC1)Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C23H32N8O3/c32-23(28-31-8-2-1-3-9-31)24-19-6-4-18(5-7-19)20-25-21(29-10-14-33-15-11-29)27-22(26-20)30-12-16-34-17-13-30/h4-7H,1-3,8-17H2,(H2,24,28,32)
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n/an/a 1.52E+3n/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
PI3-kinase subunit gamma


(Homo sapiens (human))
BDBM50308138
PNG
(1-(4-(4,6-dimorpholino-1,3,5-triazin-2-yl)phenyl)-...)
Show SMILES O=C(NN1CCCCC1)Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C23H32N8O3/c32-23(28-31-8-2-1-3-9-31)24-19-6-4-18(5-7-19)20-25-21(29-10-14-33-15-11-29)27-22(26-20)30-12-16-34-17-13-30/h4-7H,1-3,8-17H2,(H2,24,28,32)
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n/an/a 7.47E+3n/an/an/an/an/an/a



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
* indicates data uncertainty>20%