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PubMed code 19954970

Compile data set for download or QSAR
Found 64 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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50305294
PNG
(5-(6-morpholino-9H-purin-2-yl)pyridin-3-ol | CHEMB...)
Show SMILES Oc1cncc(c1)-c1nc(N2CCOCC2)c2[nH]cnc2n1
Show InChI InChI=1S/C14H14N6O2/c21-10-5-9(6-15-7-10)12-18-13-11(16-8-17-13)14(19-12)20-1-3-22-4-2-20/h5-8,21H,1-4H2,(H,16,17,18,19)
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n/an/a 11n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha


Bioorg Med Chem Lett 20: 653-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.057
BindingDB Entry DOI: 10.7270/Q2X63N1H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50305295
PNG
(5-(6-morpholino-9-(piperidin-4-yl)-9H-purin-2-yl)p...)
Show SMILES Oc1cncc(c1)-c1nc(N2CCOCC2)c2ncn(C3CCNCC3)c2n1
Show InChI InChI=1S/C19H23N7O2/c27-15-9-13(10-21-11-15)17-23-18(25-5-7-28-8-6-25)16-19(24-17)26(12-22-16)14-1-3-20-4-2-14/h9-12,14,20,27H,1-8H2
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n/an/a 14n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha


Bioorg Med Chem Lett 20: 653-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.057
BindingDB Entry DOI: 10.7270/Q2X63N1H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50305296
PNG
(5-(9-(1-(4-chlorobenzyl)piperidin-4-yl)-6-morpholi...)
Show SMILES Oc1cncc(c1)-c1nc(N2CCOCC2)c2ncn(C3CCN(Cc4ccc(Cl)cc4)CC3)c2n1
Show InChI InChI=1S/C26H28ClN7O2/c27-20-3-1-18(2-4-20)16-32-7-5-21(6-8-32)34-17-29-23-25(33-9-11-36-12-10-33)30-24(31-26(23)34)19-13-22(35)15-28-14-19/h1-4,13-15,17,21,35H,5-12,16H2
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n/an/a 16n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha


Bioorg Med Chem Lett 20: 653-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.057
BindingDB Entry DOI: 10.7270/Q2X63N1H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50305293
PNG
((3-(9-(1-(4-(3-(dimethylamino)propoxy)benzyl)piper...)
Show SMILES CN(C)CCCOc1ccc(CN2CCC(CC2)n2cnc3c(nc(nc23)-c2cccc(CO)c2)N2CCOCC2)cc1
Show InChI InChI=1S/C33H43N7O3/c1-37(2)13-4-18-43-29-9-7-25(8-10-29)22-38-14-11-28(12-15-38)40-24-34-30-32(39-16-19-42-20-17-39)35-31(36-33(30)40)27-6-3-5-26(21-27)23-41/h3,5-10,21,24,28,41H,4,11-20,22-23H2,1-2H3
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n/an/a 16n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha


Bioorg Med Chem Lett 20: 653-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.057
BindingDB Entry DOI: 10.7270/Q2X63N1H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50305291
PNG
((3-(6-morpholino-9-(1-(4-(pyridin-4-yl)benzyl)pipe...)
Show SMILES OCc1cccc(c1)-c1nc(N2CCOCC2)c2ncn(C3CCN(Cc4ccc(cc4)-c4ccncc4)CC3)c2n1
Show InChI InChI=1S/C33H35N7O2/c41-22-25-2-1-3-28(20-25)31-36-32(39-16-18-42-19-17-39)30-33(37-31)40(23-35-30)29-10-14-38(15-11-29)21-24-4-6-26(7-5-24)27-8-12-34-13-9-27/h1-9,12-13,20,23,29,41H,10-11,14-19,21-22H2
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n/an/a 23n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha


Bioorg Med Chem Lett 20: 653-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.057
BindingDB Entry DOI: 10.7270/Q2X63N1H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50305304
PNG
(3-(9-(1-((5-chloropyridin-3-yl)methyl)piperidin-4-...)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2ncn(C3CCN(Cc4cncc(Cl)c4)CC3)c2n1
Show InChI InChI=1S/C26H28ClN7O2/c27-20-12-18(14-28-15-20)16-32-6-4-21(5-7-32)34-17-29-23-25(33-8-10-36-11-9-33)30-24(31-26(23)34)19-2-1-3-22(35)13-19/h1-3,12-15,17,21,35H,4-11,16H2
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n/an/a 37n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha


Bioorg Med Chem Lett 20: 653-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.057
BindingDB Entry DOI: 10.7270/Q2X63N1H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50305303
PNG
(3-(6-morpholino-9-(1-((6-morpholinopyridin-3-yl)me...)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2ncn(C3CCN(Cc4ccc(nc4)N4CCOCC4)CC3)c2n1
Show InChI InChI=1S/C30H36N8O3/c39-25-3-1-2-23(18-25)28-33-29(37-12-16-41-17-13-37)27-30(34-28)38(21-32-27)24-6-8-35(9-7-24)20-22-4-5-26(31-19-22)36-10-14-40-15-11-36/h1-5,18-19,21,24,39H,6-17,20H2
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n/an/a 40n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha


Bioorg Med Chem Lett 20: 653-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.057
BindingDB Entry DOI: 10.7270/Q2X63N1H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50305297
PNG
(5-(9-(1-(4-methylbenzyl)piperidin-4-yl)-6-morpholi...)
Show SMILES Cc1ccc(CN2CCC(CC2)n2cnc3c(nc(nc23)-c2cncc(O)c2)N2CCOCC2)cc1
Show InChI InChI=1S/C27H31N7O2/c1-19-2-4-20(5-3-19)17-32-8-6-22(7-9-32)34-18-29-24-26(33-10-12-36-13-11-33)30-25(31-27(24)34)21-14-23(35)16-28-15-21/h2-5,14-16,18,22,35H,6-13,17H2,1H3
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n/an/a 42n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha


Bioorg Med Chem Lett 20: 653-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.057
BindingDB Entry DOI: 10.7270/Q2X63N1H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50305289
PNG
((3-(9-(1-(2-fluorobenzyl)piperidin-4-yl)-6-morphol...)
Show SMILES OCc1cccc(c1)-c1nc(N2CCOCC2)c2ncn(C3CCN(Cc4ccccc4F)CC3)c2n1
Show InChI InChI=1S/C28H31FN6O2/c29-24-7-2-1-5-22(24)17-33-10-8-23(9-11-33)35-19-30-25-27(34-12-14-37-15-13-34)31-26(32-28(25)35)21-6-3-4-20(16-21)18-36/h1-7,16,19,23,36H,8-15,17-18H2
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n/an/a 42n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha


Bioorg Med Chem Lett 20: 653-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.057
BindingDB Entry DOI: 10.7270/Q2X63N1H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50305292
PNG
((3-(9-(1-(2,4-difluorophenyl)piperidin-4-yl)-6-mor...)
Show SMILES OCc1cccc(c1)-c1nc(N2CCOCC2)c2ncn(C3CCN(CC3)c3ccc(F)cc3F)c2n1
Show InChI InChI=1S/C27H28F2N6O2/c28-20-4-5-23(22(29)15-20)33-8-6-21(7-9-33)35-17-30-24-26(34-10-12-37-13-11-34)31-25(32-27(24)35)19-3-1-2-18(14-19)16-36/h1-5,14-15,17,21,36H,6-13,16H2
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n/an/a 44n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha


Bioorg Med Chem Lett 20: 653-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.057
BindingDB Entry DOI: 10.7270/Q2X63N1H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (human))
BDBM50305295
PNG
(5-(6-morpholino-9-(piperidin-4-yl)-9H-purin-2-yl)p...)
Show SMILES Oc1cncc(c1)-c1nc(N2CCOCC2)c2ncn(C3CCNCC3)c2n1
Show InChI InChI=1S/C19H23N7O2/c27-15-9-13(10-21-11-15)17-23-18(25-5-7-28-8-6-25)16-19(24-17)26(12-22-16)14-1-3-20-4-2-14/h9-12,14,20,27H,1-8H2
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma


Bioorg Med Chem Lett 20: 653-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.057
BindingDB Entry DOI: 10.7270/Q2X63N1H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (human))
BDBM50305294
PNG
(5-(6-morpholino-9H-purin-2-yl)pyridin-3-ol | CHEMB...)
Show SMILES Oc1cncc(c1)-c1nc(N2CCOCC2)c2[nH]cnc2n1
Show InChI InChI=1S/C14H14N6O2/c21-10-5-9(6-15-7-10)12-18-13-11(16-8-17-13)14(19-12)20-1-3-22-4-2-20/h5-8,21H,1-4H2,(H,16,17,18,19)
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n/an/a 47n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma


Bioorg Med Chem Lett 20: 653-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.057
BindingDB Entry DOI: 10.7270/Q2X63N1H
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50305305
PNG
(3-(9-(1-((6-methoxypyridin-3-yl)methyl)piperidin-4...)
Show SMILES COc1ccc(CN2CCC(CC2)n2cnc3c(nc(nc23)-c2cccc(O)c2)N2CCOCC2)cn1
Show InChI InChI=1S/C27H31N7O3/c1-36-23-6-5-19(16-28-23)17-32-9-7-21(8-10-32)34-18-29-24-26(33-11-13-37-14-12-33)30-25(31-27(24)34)20-3-2-4-22(35)15-20/h2-6,15-16,18,21,35H,7-14,17H2,1H3
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n/an/a 51n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 20: 653-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.057
BindingDB Entry DOI: 10.7270/Q2X63N1H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50305305
PNG
(3-(9-(1-((6-methoxypyridin-3-yl)methyl)piperidin-4...)
Show SMILES COc1ccc(CN2CCC(CC2)n2cnc3c(nc(nc23)-c2cccc(O)c2)N2CCOCC2)cn1
Show InChI InChI=1S/C27H31N7O3/c1-36-23-6-5-19(16-28-23)17-32-9-7-21(8-10-32)34-18-29-24-26(33-11-13-37-14-12-33)30-25(31-27(24)34)20-3-2-4-22(35)15-20/h2-6,15-16,18,21,35H,7-14,17H2,1H3
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n/an/a 55n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha


Bioorg Med Chem Lett 20: 653-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.057
BindingDB Entry DOI: 10.7270/Q2X63N1H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50305307
PNG
((3-(6-morpholino-9-(piperidin-4-yl)-9H-purin-2-yl)...)
Show SMILES OCc1cccc(c1)-c1nc(N2CCOCC2)c2ncn(C3CCNCC3)c2n1
Show InChI InChI=1S/C21H26N6O2/c28-13-15-2-1-3-16(12-15)19-24-20(26-8-10-29-11-9-26)18-21(25-19)27(14-23-18)17-4-6-22-7-5-17/h1-3,12,14,17,22,28H,4-11,13H2
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n/an/a 57n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha


Bioorg Med Chem Lett 20: 653-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.057
BindingDB Entry DOI: 10.7270/Q2X63N1H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (human))
BDBM50305298
PNG
(5-(9-(1-((6-fluoropyridin-3-yl)methyl)piperidin-4-...)
Show SMILES Oc1cncc(c1)-c1nc(N2CCOCC2)c2ncn(C3CCN(Cc4ccc(F)nc4)CC3)c2n1
Show InChI InChI=1S/C25H27FN8O2/c26-21-2-1-17(12-28-21)15-32-5-3-19(4-6-32)34-16-29-22-24(33-7-9-36-10-8-33)30-23(31-25(22)34)18-11-20(35)14-27-13-18/h1-2,11-14,16,19,35H,3-10,15H2
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n/an/a 61n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma


Bioorg Med Chem Lett 20: 653-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.057
BindingDB Entry DOI: 10.7270/Q2X63N1H
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 PI3Kalpha


Bioorg Med Chem Lett 20: 653-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.057
BindingDB Entry DOI: 10.7270/Q2X63N1H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50305300
PNG
(3-(6-morpholino-9-(piperidin-4-yl)-9H-purin-2-yl)p...)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2ncn(C3CCNCC3)c2n1
Show InChI InChI=1S/C20H24N6O2/c27-16-3-1-2-14(12-16)18-23-19(25-8-10-28-11-9-25)17-20(24-18)26(13-22-17)15-4-6-21-7-5-15/h1-3,12-13,15,21,27H,4-11H2
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n/an/a 64n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha


Bioorg Med Chem Lett 20: 653-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.057
BindingDB Entry DOI: 10.7270/Q2X63N1H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50305288
PNG
((3-(6-morpholino-9-(1-(pyridin-2-ylmethyl)piperidi...)
Show SMILES OCc1cccc(c1)-c1nc(N2CCOCC2)c2ncn(C3CCN(Cc4ccccn4)CC3)c2n1
Show InChI InChI=1S/C27H31N7O2/c35-18-20-4-3-5-21(16-20)25-30-26(33-12-14-36-15-13-33)24-27(31-25)34(19-29-24)23-7-10-32(11-8-23)17-22-6-1-2-9-28-22/h1-6,9,16,19,23,35H,7-8,10-15,17-18H2
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n/an/a 65n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha


Bioorg Med Chem Lett 20: 653-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.057
BindingDB Entry DOI: 10.7270/Q2X63N1H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50305302
PNG
(3-(6-morpholino-9-(1-(pyridin-3-ylmethyl)piperidin...)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2ncn(C3CCN(Cc4cccnc4)CC3)c2n1
Show InChI InChI=1S/C26H29N7O2/c34-22-5-1-4-20(15-22)24-29-25(32-11-13-35-14-12-32)23-26(30-24)33(18-28-23)21-6-9-31(10-7-21)17-19-3-2-8-27-16-19/h1-5,8,15-16,18,21,34H,6-7,9-14,17H2
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n/an/a 66n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha


Bioorg Med Chem Lett 20: 653-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.057
BindingDB Entry DOI: 10.7270/Q2X63N1H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50305290
PNG
((3-(9-(1-(4-fluorobenzyl)piperidin-4-yl)-6-morphol...)
Show SMILES OCc1cccc(c1)-c1nc(N2CCOCC2)c2ncn(C3CCN(Cc4ccc(F)cc4)CC3)c2n1
Show InChI InChI=1S/C28H31FN6O2/c29-23-6-4-20(5-7-23)17-33-10-8-24(9-11-33)35-19-30-25-27(34-12-14-37-15-13-34)31-26(32-28(25)35)22-3-1-2-21(16-22)18-36/h1-7,16,19,24,36H,8-15,17-18H2
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n/an/a 70n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha


Bioorg Med Chem Lett 20: 653-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.057
BindingDB Entry DOI: 10.7270/Q2X63N1H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50305301
PNG
(3-(9-(1-benzylpiperidin-4-yl)-6-morpholino-9H-puri...)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2ncn(C3CCN(Cc4ccccc4)CC3)c2n1
Show InChI InChI=1S/C27H30N6O2/c34-23-8-4-7-21(17-23)25-29-26(32-13-15-35-16-14-32)24-27(30-25)33(19-28-24)22-9-11-31(12-10-22)18-20-5-2-1-3-6-20/h1-8,17,19,22,34H,9-16,18H2
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n/an/a 75n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha


Bioorg Med Chem Lett 20: 653-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.057
BindingDB Entry DOI: 10.7270/Q2X63N1H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50305298
PNG
(5-(9-(1-((6-fluoropyridin-3-yl)methyl)piperidin-4-...)
Show SMILES Oc1cncc(c1)-c1nc(N2CCOCC2)c2ncn(C3CCN(Cc4ccc(F)nc4)CC3)c2n1
Show InChI InChI=1S/C25H27FN8O2/c26-21-2-1-17(12-28-21)15-32-5-3-19(4-6-32)34-16-29-22-24(33-7-9-36-10-8-33)30-23(31-25(22)34)18-11-20(35)14-27-13-18/h1-2,11-14,16,19,35H,3-10,15H2
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n/an/a 94n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha


Bioorg Med Chem Lett 20: 653-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.057
BindingDB Entry DOI: 10.7270/Q2X63N1H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (human))
BDBM50305296
PNG
(5-(9-(1-(4-chlorobenzyl)piperidin-4-yl)-6-morpholi...)
Show SMILES Oc1cncc(c1)-c1nc(N2CCOCC2)c2ncn(C3CCN(Cc4ccc(Cl)cc4)CC3)c2n1
Show InChI InChI=1S/C26H28ClN7O2/c27-20-3-1-18(2-4-20)16-32-7-5-21(6-8-32)34-17-29-23-25(33-9-11-36-12-10-33)30-24(31-26(23)34)19-13-22(35)15-28-14-19/h1-4,13-15,17,21,35H,5-12,16H2
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n/an/a 119n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma


Bioorg Med Chem Lett 20: 653-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.057
BindingDB Entry DOI: 10.7270/Q2X63N1H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (human))
BDBM50305300
PNG
(3-(6-morpholino-9-(piperidin-4-yl)-9H-purin-2-yl)p...)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2ncn(C3CCNCC3)c2n1
Show InChI InChI=1S/C20H24N6O2/c27-16-3-1-2-14(12-16)18-23-19(25-8-10-28-11-9-25)17-20(24-18)26(13-22-17)15-4-6-21-7-5-15/h1-3,12-13,15,21,27H,4-11H2
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n/an/a 133n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma


Bioorg Med Chem Lett 20: 653-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.057
BindingDB Entry DOI: 10.7270/Q2X63N1H
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50305301
PNG
(3-(9-(1-benzylpiperidin-4-yl)-6-morpholino-9H-puri...)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2ncn(C3CCN(Cc4ccccc4)CC3)c2n1
Show InChI InChI=1S/C27H30N6O2/c34-23-8-4-7-21(17-23)25-29-26(32-13-15-35-16-14-32)24-27(30-25)33(19-28-24)22-9-11-31(12-10-22)18-20-5-2-1-3-6-20/h1-8,17,19,22,34H,9-16,18H2
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n/an/a 140n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 20: 653-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.057
BindingDB Entry DOI: 10.7270/Q2X63N1H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50305299
PNG
(3-(6-morpholino-9H-purin-2-yl)phenol | CHEMBL59351...)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2[nH]cnc2n1
Show InChI InChI=1S/C15H15N5O2/c21-11-3-1-2-10(8-11)13-18-14-12(16-9-17-14)15(19-13)20-4-6-22-7-5-20/h1-3,8-9,21H,4-7H2,(H,16,17,18,19)
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n/an/a 150n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha


Bioorg Med Chem Lett 20: 653-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.057
BindingDB Entry DOI: 10.7270/Q2X63N1H
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50305303
PNG
(3-(6-morpholino-9-(1-((6-morpholinopyridin-3-yl)me...)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2ncn(C3CCN(Cc4ccc(nc4)N4CCOCC4)CC3)c2n1
Show InChI InChI=1S/C30H36N8O3/c39-25-3-1-2-23(18-25)28-33-29(37-12-16-41-17-13-37)27-30(34-28)38(21-32-27)24-6-8-35(9-7-24)20-22-4-5-26(31-19-22)36-10-14-40-15-11-36/h1-5,18-19,21,24,39H,6-17,20H2
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n/an/a 152n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 20: 653-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.057
BindingDB Entry DOI: 10.7270/Q2X63N1H
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50305289
PNG
((3-(9-(1-(2-fluorobenzyl)piperidin-4-yl)-6-morphol...)
Show SMILES OCc1cccc(c1)-c1nc(N2CCOCC2)c2ncn(C3CCN(Cc4ccccc4F)CC3)c2n1
Show InChI InChI=1S/C28H31FN6O2/c29-24-7-2-1-5-22(24)17-33-10-8-23(9-11-33)35-19-30-25-27(34-12-14-37-15-13-34)31-26(32-28(25)35)21-6-3-4-20(16-21)18-36/h1-7,16,19,23,36H,8-15,17-18H2
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n/an/a 160n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 20: 653-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.057
BindingDB Entry DOI: 10.7270/Q2X63N1H
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50305296
PNG
(5-(9-(1-(4-chlorobenzyl)piperidin-4-yl)-6-morpholi...)
Show SMILES Oc1cncc(c1)-c1nc(N2CCOCC2)c2ncn(C3CCN(Cc4ccc(Cl)cc4)CC3)c2n1
Show InChI InChI=1S/C26H28ClN7O2/c27-20-3-1-18(2-4-20)16-32-7-5-21(6-8-32)34-17-29-23-25(33-9-11-36-12-10-33)30-24(31-26(23)34)19-13-22(35)15-28-14-19/h1-4,13-15,17,21,35H,5-12,16H2
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n/an/a 160n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 20: 653-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.057
BindingDB Entry DOI: 10.7270/Q2X63N1H
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50305302
PNG
(3-(6-morpholino-9-(1-(pyridin-3-ylmethyl)piperidin...)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2ncn(C3CCN(Cc4cccnc4)CC3)c2n1
Show InChI InChI=1S/C26H29N7O2/c34-22-5-1-4-20(15-22)24-29-25(32-11-13-35-14-12-32)23-26(30-24)33(18-28-23)21-6-9-31(10-7-21)17-19-3-2-8-27-16-19/h1-5,8,15-16,18,21,34H,6-7,9-14,17H2
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n/an/a 170n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 20: 653-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.057
BindingDB Entry DOI: 10.7270/Q2X63N1H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50305287
PNG
(1-(4-(2-(3-(hydroxymethyl)phenyl)-6-morpholino-9H-...)
Show SMILES CC(=O)N1CCC(CC1)n1cnc2c(nc(nc12)-c1cccc(CO)c1)N1CCOCC1
Show InChI InChI=1S/C23H28N6O3/c1-16(31)27-7-5-19(6-8-27)29-15-24-20-22(28-9-11-32-12-10-28)25-21(26-23(20)29)18-4-2-3-17(13-18)14-30/h2-4,13,15,19,30H,5-12,14H2,1H3
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n/an/a 189n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha


Bioorg Med Chem Lett 20: 653-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.057
BindingDB Entry DOI: 10.7270/Q2X63N1H
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50305304
PNG
(3-(9-(1-((5-chloropyridin-3-yl)methyl)piperidin-4-...)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2ncn(C3CCN(Cc4cncc(Cl)c4)CC3)c2n1
Show InChI InChI=1S/C26H28ClN7O2/c27-20-12-18(14-28-15-20)16-32-6-4-21(5-7-32)34-17-29-23-25(33-8-10-36-11-9-33)30-24(31-26(23)34)19-2-1-3-22(35)13-19/h1-3,12-15,17,21,35H,4-11,16H2
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 20: 653-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.057
BindingDB Entry DOI: 10.7270/Q2X63N1H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (human))
BDBM50305297
PNG
(5-(9-(1-(4-methylbenzyl)piperidin-4-yl)-6-morpholi...)
Show SMILES Cc1ccc(CN2CCC(CC2)n2cnc3c(nc(nc23)-c2cncc(O)c2)N2CCOCC2)cc1
Show InChI InChI=1S/C27H31N7O2/c1-19-2-4-20(5-3-19)17-32-8-6-22(7-9-32)34-18-29-24-26(33-10-12-36-13-11-33)30-25(31-27(24)34)21-14-23(35)16-28-15-21/h2-5,14-16,18,22,35H,6-13,17H2,1H3
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n/an/a 204n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma


Bioorg Med Chem Lett 20: 653-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.057
BindingDB Entry DOI: 10.7270/Q2X63N1H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (human))
BDBM50305291
PNG
((3-(6-morpholino-9-(1-(4-(pyridin-4-yl)benzyl)pipe...)
Show SMILES OCc1cccc(c1)-c1nc(N2CCOCC2)c2ncn(C3CCN(Cc4ccc(cc4)-c4ccncc4)CC3)c2n1
Show InChI InChI=1S/C33H35N7O2/c41-22-25-2-1-3-28(20-25)31-36-32(39-16-18-42-19-17-39)30-33(37-31)40(23-35-30)29-10-14-38(15-11-29)21-24-4-6-26(7-5-24)27-8-12-34-13-9-27/h1-9,12-13,20,23,29,41H,10-11,14-19,21-22H2
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n/an/a 223n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma


Bioorg Med Chem Lett 20: 653-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.057
BindingDB Entry DOI: 10.7270/Q2X63N1H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (human))
BDBM50305293
PNG
((3-(9-(1-(4-(3-(dimethylamino)propoxy)benzyl)piper...)
Show SMILES CN(C)CCCOc1ccc(CN2CCC(CC2)n2cnc3c(nc(nc23)-c2cccc(CO)c2)N2CCOCC2)cc1
Show InChI InChI=1S/C33H43N7O3/c1-37(2)13-4-18-43-29-9-7-25(8-10-29)22-38-14-11-28(12-15-38)40-24-34-30-32(39-16-19-42-20-17-39)35-31(36-33(30)40)27-6-3-5-26(21-27)23-41/h3,5-10,21,24,28,41H,4,11-20,22-23H2,1-2H3
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n/an/a 265n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma


Bioorg Med Chem Lett 20: 653-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.057
BindingDB Entry DOI: 10.7270/Q2X63N1H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50305293
PNG
((3-(9-(1-(4-(3-(dimethylamino)propoxy)benzyl)piper...)
Show SMILES CN(C)CCCOc1ccc(CN2CCC(CC2)n2cnc3c(nc(nc23)-c2cccc(CO)c2)N2CCOCC2)cc1
Show InChI InChI=1S/C33H43N7O3/c1-37(2)13-4-18-43-29-9-7-25(8-10-29)22-38-14-11-28(12-15-38)40-24-34-30-32(39-16-19-42-20-17-39)35-31(36-33(30)40)27-6-3-5-26(21-27)23-41/h3,5-10,21,24,28,41H,4,11-20,22-23H2,1-2H3
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n/an/a 300n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha in human MDA-MB-361 cells assessed as reduction of phosphorylated Akt (T308) level after 4 hrs by western blotting


Bioorg Med Chem Lett 20: 653-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.057
BindingDB Entry DOI: 10.7270/Q2X63N1H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (human))
BDBM50305305
PNG
(3-(9-(1-((6-methoxypyridin-3-yl)methyl)piperidin-4...)
Show SMILES COc1ccc(CN2CCC(CC2)n2cnc3c(nc(nc23)-c2cccc(O)c2)N2CCOCC2)cn1
Show InChI InChI=1S/C27H31N7O3/c1-36-23-6-5-19(16-28-23)17-32-9-7-21(8-10-32)34-18-29-24-26(33-11-13-37-14-12-33)30-25(31-27(24)34)20-3-2-4-22(35)15-20/h2-6,15-16,18,21,35H,7-14,17H2,1H3
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n/an/a 306n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma


Bioorg Med Chem Lett 20: 653-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.057
BindingDB Entry DOI: 10.7270/Q2X63N1H
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50305288
PNG
((3-(6-morpholino-9-(1-(pyridin-2-ylmethyl)piperidi...)
Show SMILES OCc1cccc(c1)-c1nc(N2CCOCC2)c2ncn(C3CCN(Cc4ccccn4)CC3)c2n1
Show InChI InChI=1S/C27H31N7O2/c35-18-20-4-3-5-21(16-20)25-30-26(33-12-14-36-15-13-33)24-27(31-25)34(19-29-24)23-7-10-32(11-8-23)17-22-6-1-2-9-28-22/h1-6,9,16,19,23,35H,7-8,10-15,17-18H2
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n/an/a 310n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 20: 653-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.057
BindingDB Entry DOI: 10.7270/Q2X63N1H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (human))
BDBM50305304
PNG
(3-(9-(1-((5-chloropyridin-3-yl)methyl)piperidin-4-...)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2ncn(C3CCN(Cc4cncc(Cl)c4)CC3)c2n1
Show InChI InChI=1S/C26H28ClN7O2/c27-20-12-18(14-28-15-20)16-32-6-4-21(5-7-32)34-17-29-23-25(33-8-10-36-11-9-33)30-24(31-26(23)34)19-2-1-3-22(35)13-19/h1-3,12-15,17,21,35H,4-11,16H2
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n/an/a 341n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma


Bioorg Med Chem Lett 20: 653-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.057
BindingDB Entry DOI: 10.7270/Q2X63N1H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (human))
BDBM50305303
PNG
(3-(6-morpholino-9-(1-((6-morpholinopyridin-3-yl)me...)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2ncn(C3CCN(Cc4ccc(nc4)N4CCOCC4)CC3)c2n1
Show InChI InChI=1S/C30H36N8O3/c39-25-3-1-2-23(18-25)28-33-29(37-12-16-41-17-13-37)27-30(34-28)38(21-32-27)24-6-8-35(9-7-24)20-22-4-5-26(31-19-22)36-10-14-40-15-11-36/h1-5,18-19,21,24,39H,6-17,20H2
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n/an/a 368n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma


Bioorg Med Chem Lett 20: 653-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.057
BindingDB Entry DOI: 10.7270/Q2X63N1H
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50305298
PNG
(5-(9-(1-((6-fluoropyridin-3-yl)methyl)piperidin-4-...)
Show SMILES Oc1cncc(c1)-c1nc(N2CCOCC2)c2ncn(C3CCN(Cc4ccc(F)nc4)CC3)c2n1
Show InChI InChI=1S/C25H27FN8O2/c26-21-2-1-17(12-28-21)15-32-5-3-19(4-6-32)34-16-29-22-24(33-7-9-36-10-8-33)30-23(31-25(22)34)18-11-20(35)14-27-13-18/h1-2,11-14,16,19,35H,3-10,15H2
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n/an/a 570n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 20: 653-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.057
BindingDB Entry DOI: 10.7270/Q2X63N1H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (human))
BDBM50305302
PNG
(3-(6-morpholino-9-(1-(pyridin-3-ylmethyl)piperidin...)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2ncn(C3CCN(Cc4cccnc4)CC3)c2n1
Show InChI InChI=1S/C26H29N7O2/c34-22-5-1-4-20(15-22)24-29-25(32-11-13-35-14-12-32)23-26(30-24)33(18-28-23)21-6-9-31(10-7-21)17-19-3-2-8-27-16-19/h1-5,8,15-16,18,21,34H,6-7,9-14,17H2
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n/an/a 583n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma


Bioorg Med Chem Lett 20: 653-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.057
BindingDB Entry DOI: 10.7270/Q2X63N1H
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50305297
PNG
(5-(9-(1-(4-methylbenzyl)piperidin-4-yl)-6-morpholi...)
Show SMILES Cc1ccc(CN2CCC(CC2)n2cnc3c(nc(nc23)-c2cncc(O)c2)N2CCOCC2)cc1
Show InChI InChI=1S/C27H31N7O2/c1-19-2-4-20(5-3-19)17-32-8-6-22(7-9-32)34-18-29-24-26(33-10-12-36-13-11-33)30-25(31-27(24)34)21-14-23(35)16-28-15-21/h2-5,14-16,18,22,35H,6-13,17H2,1H3
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n/an/a 590n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 20: 653-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.057
BindingDB Entry DOI: 10.7270/Q2X63N1H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (human))
BDBM50305290
PNG
((3-(9-(1-(4-fluorobenzyl)piperidin-4-yl)-6-morphol...)
Show SMILES OCc1cccc(c1)-c1nc(N2CCOCC2)c2ncn(C3CCN(Cc4ccc(F)cc4)CC3)c2n1
Show InChI InChI=1S/C28H31FN6O2/c29-23-6-4-20(5-7-23)17-33-10-8-24(9-11-33)35-19-30-25-27(34-12-14-37-15-13-34)31-26(32-28(25)35)22-3-1-2-21(16-22)18-36/h1-7,16,19,24,36H,8-15,17-18H2
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n/an/a 594n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma


Bioorg Med Chem Lett 20: 653-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.057
BindingDB Entry DOI: 10.7270/Q2X63N1H
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50305294
PNG
(5-(6-morpholino-9H-purin-2-yl)pyridin-3-ol | CHEMB...)
Show SMILES Oc1cncc(c1)-c1nc(N2CCOCC2)c2[nH]cnc2n1
Show InChI InChI=1S/C14H14N6O2/c21-10-5-9(6-15-7-10)12-18-13-11(16-8-17-13)14(19-12)20-1-3-22-4-2-20/h5-8,21H,1-4H2,(H,16,17,18,19)
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n/an/a 620n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 20: 653-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.057
BindingDB Entry DOI: 10.7270/Q2X63N1H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (human))
BDBM50305292
PNG
((3-(9-(1-(2,4-difluorophenyl)piperidin-4-yl)-6-mor...)
Show SMILES OCc1cccc(c1)-c1nc(N2CCOCC2)c2ncn(C3CCN(CC3)c3ccc(F)cc3F)c2n1
Show InChI InChI=1S/C27H28F2N6O2/c28-20-4-5-23(22(29)15-20)33-8-6-21(7-9-33)35-17-30-24-26(34-10-12-37-13-11-34)31-25(32-27(24)35)19-3-1-2-18(14-19)16-36/h1-5,14-15,17,21,36H,6-13,16H2
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n/an/a 640n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma


Bioorg Med Chem Lett 20: 653-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.057
BindingDB Entry DOI: 10.7270/Q2X63N1H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (human))
BDBM50305307
PNG
((3-(6-morpholino-9-(piperidin-4-yl)-9H-purin-2-yl)...)
Show SMILES OCc1cccc(c1)-c1nc(N2CCOCC2)c2ncn(C3CCNCC3)c2n1
Show InChI InChI=1S/C21H26N6O2/c28-13-15-2-1-3-16(12-15)19-24-20(26-8-10-29-11-9-26)18-21(25-19)27(14-23-18)17-4-6-22-7-5-17/h1-3,12,14,17,22,28H,4-11,13H2
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n/an/a 683n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma


Bioorg Med Chem Lett 20: 653-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.057
BindingDB Entry DOI: 10.7270/Q2X63N1H
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50305291
PNG
((3-(6-morpholino-9-(1-(4-(pyridin-4-yl)benzyl)pipe...)
Show SMILES OCc1cccc(c1)-c1nc(N2CCOCC2)c2ncn(C3CCN(Cc4ccc(cc4)-c4ccncc4)CC3)c2n1
Show InChI InChI=1S/C33H35N7O2/c41-22-25-2-1-3-28(20-25)31-36-32(39-16-18-42-19-17-39)30-33(37-31)40(23-35-30)29-10-14-38(15-11-29)21-24-4-6-26(7-5-24)27-8-12-34-13-9-27/h1-9,12-13,20,23,29,41H,10-11,14-19,21-22H2
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n/an/a 720n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 20: 653-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.057
BindingDB Entry DOI: 10.7270/Q2X63N1H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (human))
BDBM50305288
PNG
((3-(6-morpholino-9-(1-(pyridin-2-ylmethyl)piperidi...)
Show SMILES OCc1cccc(c1)-c1nc(N2CCOCC2)c2ncn(C3CCN(Cc4ccccn4)CC3)c2n1
Show InChI InChI=1S/C27H31N7O2/c35-18-20-4-3-5-21(16-20)25-30-26(33-12-14-36-15-13-33)24-27(31-25)34(19-29-24)23-7-10-32(11-8-23)17-22-6-1-2-9-28-22/h1-6,9,16,19,23,35H,7-8,10-15,17-18H2
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n/an/a 776n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma


Bioorg Med Chem Lett 20: 653-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.057
BindingDB Entry DOI: 10.7270/Q2X63N1H
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50305300
PNG
(3-(6-morpholino-9-(piperidin-4-yl)-9H-purin-2-yl)p...)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2ncn(C3CCNCC3)c2n1
Show InChI InChI=1S/C20H24N6O2/c27-16-3-1-2-14(12-16)18-23-19(25-8-10-28-11-9-25)17-20(24-18)26(13-22-17)15-4-6-21-7-5-15/h1-3,12-13,15,21,27H,4-11H2
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n/an/a 950n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 20: 653-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.057
BindingDB Entry DOI: 10.7270/Q2X63N1H
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50305295
PNG
(5-(6-morpholino-9-(piperidin-4-yl)-9H-purin-2-yl)p...)
Show SMILES Oc1cncc(c1)-c1nc(N2CCOCC2)c2ncn(C3CCNCC3)c2n1
Show InChI InChI=1S/C19H23N7O2/c27-15-9-13(10-21-11-15)17-23-18(25-5-7-28-8-6-25)16-19(24-17)26(12-22-16)14-1-3-20-4-2-14/h9-12,14,20,27H,1-8H2
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n/an/a 970n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 20: 653-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.057
BindingDB Entry DOI: 10.7270/Q2X63N1H
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 1.00E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 20: 653-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.057
BindingDB Entry DOI: 10.7270/Q2X63N1H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (human))
BDBM50305289
PNG
((3-(9-(1-(2-fluorobenzyl)piperidin-4-yl)-6-morphol...)
Show SMILES OCc1cccc(c1)-c1nc(N2CCOCC2)c2ncn(C3CCN(Cc4ccccc4F)CC3)c2n1
Show InChI InChI=1S/C28H31FN6O2/c29-24-7-2-1-5-22(24)17-33-10-8-23(9-11-33)35-19-30-25-27(34-12-14-37-15-13-34)31-26(32-28(25)35)21-6-3-4-20(16-21)18-36/h1-7,16,19,23,36H,8-15,17-18H2
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n/an/a 1.10E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma


Bioorg Med Chem Lett 20: 653-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.057
BindingDB Entry DOI: 10.7270/Q2X63N1H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma 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 1.13E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma


Bioorg Med Chem Lett 20: 653-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.057
BindingDB Entry DOI: 10.7270/Q2X63N1H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (human))
BDBM50305287
PNG
(1-(4-(2-(3-(hydroxymethyl)phenyl)-6-morpholino-9H-...)
Show SMILES CC(=O)N1CCC(CC1)n1cnc2c(nc(nc12)-c1cccc(CO)c1)N1CCOCC1
Show InChI InChI=1S/C23H28N6O3/c1-16(31)27-7-5-19(6-8-27)29-15-24-20-22(28-9-11-32-12-10-28)25-21(26-23(20)29)18-4-2-3-17(13-18)14-30/h2-4,13,15,19,30H,5-12,14H2,1H3
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n/an/a 1.38E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma


Bioorg Med Chem Lett 20: 653-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.057
BindingDB Entry DOI: 10.7270/Q2X63N1H
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50305299
PNG
(3-(6-morpholino-9H-purin-2-yl)phenol | CHEMBL59351...)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2[nH]cnc2n1
Show InChI InChI=1S/C15H15N5O2/c21-11-3-1-2-10(8-11)13-18-14-12(16-9-17-14)15(19-13)20-4-6-22-7-5-20/h1-3,8-9,21H,4-7H2,(H,16,17,18,19)
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n/an/a 1.65E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 20: 653-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.057
BindingDB Entry DOI: 10.7270/Q2X63N1H
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50305290
PNG
((3-(9-(1-(4-fluorobenzyl)piperidin-4-yl)-6-morphol...)
Show SMILES OCc1cccc(c1)-c1nc(N2CCOCC2)c2ncn(C3CCN(Cc4ccc(F)cc4)CC3)c2n1
Show InChI InChI=1S/C28H31FN6O2/c29-23-6-4-20(5-7-23)17-33-10-8-24(9-11-33)35-19-30-25-27(34-12-14-37-15-13-34)31-26(32-28(25)35)22-3-1-2-21(16-22)18-36/h1-7,16,19,24,36H,8-15,17-18H2
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n/an/a 1.70E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 20: 653-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.057
BindingDB Entry DOI: 10.7270/Q2X63N1H
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50305292
PNG
((3-(9-(1-(2,4-difluorophenyl)piperidin-4-yl)-6-mor...)
Show SMILES OCc1cccc(c1)-c1nc(N2CCOCC2)c2ncn(C3CCN(CC3)c3ccc(F)cc3F)c2n1
Show InChI InChI=1S/C27H28F2N6O2/c28-20-4-5-23(22(29)15-20)33-8-6-21(7-9-33)35-17-30-24-26(34-10-12-37-13-11-34)31-25(32-27(24)35)19-3-1-2-18(14-19)16-36/h1-5,14-15,17,21,36H,6-13,16H2
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n/an/a 2.05E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 20: 653-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.057
BindingDB Entry DOI: 10.7270/Q2X63N1H
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50305287
PNG
(1-(4-(2-(3-(hydroxymethyl)phenyl)-6-morpholino-9H-...)
Show SMILES CC(=O)N1CCC(CC1)n1cnc2c(nc(nc12)-c1cccc(CO)c1)N1CCOCC1
Show InChI InChI=1S/C23H28N6O3/c1-16(31)27-7-5-19(6-8-27)29-15-24-20-22(28-9-11-32-12-10-28)25-21(26-23(20)29)18-4-2-3-17(13-18)14-30/h2-4,13,15,19,30H,5-12,14H2,1H3
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n/an/a 2.10E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 20: 653-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.057
BindingDB Entry DOI: 10.7270/Q2X63N1H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (human))
BDBM50305299
PNG
(3-(6-morpholino-9H-purin-2-yl)phenol | CHEMBL59351...)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2[nH]cnc2n1
Show InChI InChI=1S/C15H15N5O2/c21-11-3-1-2-10(8-11)13-18-14-12(16-9-17-14)15(19-13)20-4-6-22-7-5-20/h1-3,8-9,21H,4-7H2,(H,16,17,18,19)
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n/an/a 2.34E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma


Bioorg Med Chem Lett 20: 653-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.057
BindingDB Entry DOI: 10.7270/Q2X63N1H
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50305293
PNG
((3-(9-(1-(4-(3-(dimethylamino)propoxy)benzyl)piper...)
Show SMILES CN(C)CCCOc1ccc(CN2CCC(CC2)n2cnc3c(nc(nc23)-c2cccc(CO)c2)N2CCOCC2)cc1
Show InChI InChI=1S/C33H43N7O3/c1-37(2)13-4-18-43-29-9-7-25(8-10-29)22-38-14-11-28(12-15-38)40-24-34-30-32(39-16-19-42-20-17-39)35-31(36-33(30)40)27-6-3-5-26(21-27)23-41/h3,5-10,21,24,28,41H,4,11-20,22-23H2,1-2H3
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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


Bioorg Med Chem Lett 20: 653-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.057
BindingDB Entry DOI: 10.7270/Q2X63N1H
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50305307
PNG
((3-(6-morpholino-9-(piperidin-4-yl)-9H-purin-2-yl)...)
Show SMILES OCc1cccc(c1)-c1nc(N2CCOCC2)c2ncn(C3CCNCC3)c2n1
Show InChI InChI=1S/C21H26N6O2/c28-13-15-2-1-3-16(12-15)19-24-20(26-8-10-29-11-9-26)18-21(25-19)27(14-23-18)17-4-6-22-7-5-17/h1-3,12,14,17,22,28H,4-11,13H2
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n/an/a 7.20E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 20: 653-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.057
BindingDB Entry DOI: 10.7270/Q2X63N1H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (human))
BDBM50305301
PNG
(3-(9-(1-benzylpiperidin-4-yl)-6-morpholino-9H-puri...)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2ncn(C3CCN(Cc4ccccc4)CC3)c2n1
Show InChI InChI=1S/C27H30N6O2/c34-23-8-4-7-21(17-23)25-29-26(32-13-15-35-16-14-32)24-27(30-25)33(19-28-24)22-9-11-31(12-10-22)18-20-5-2-1-3-6-20/h1-8,17,19,22,34H,9-16,18H2
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n/an/a 1.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma


Bioorg Med Chem Lett 20: 653-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.057
BindingDB Entry DOI: 10.7270/Q2X63N1H
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%