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PubMed code 19968288

Compile data set for download or QSAR
Found 83 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50308782
PNG
(4-{3-[4-(3-Isopropyl-7-morpholin-4-yl-3H-[1,2,3]-t...)
Show SMILES CC(C)n1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)C(N)=O)cc1)N1CCOCC1
Show InChI InChI=1S/C25H27N9O3/c1-15(2)34-24-20(31-32-34)23(33-11-13-37-14-12-33)29-22(30-24)17-5-9-19(10-6-17)28-25(36)27-18-7-3-16(4-8-18)21(26)35/h3-10,15H,11-14H2,1-2H3,(H2,26,35)(H2,27,28,36)
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n/an/a 0.310n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR by DELFIA


J Med Chem 53: 798-810 (2010)


Article DOI: 10.1021/jm9014982
BindingDB Entry DOI: 10.7270/Q2NZ87RZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50308780
PNG
(1-(4-Hydroxymethylphenyl)-3-[4-(3-isopropyl-7-morp...)
Show SMILES CC(C)n1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(CO)cc2)cc1)N1CCOCC1
Show InChI InChI=1S/C25H28N8O3/c1-16(2)33-24-21(30-31-33)23(32-11-13-36-14-12-32)28-22(29-24)18-5-9-20(10-6-18)27-25(35)26-19-7-3-17(15-34)4-8-19/h3-10,16,34H,11-15H2,1-2H3,(H2,26,27,35)
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n/an/a 0.320n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR by DELFIA


J Med Chem 53: 798-810 (2010)


Article DOI: 10.1021/jm9014982
BindingDB Entry DOI: 10.7270/Q2NZ87RZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50308784
PNG
(1-[4-(3-Isopropyl-7-morpholin-4-yl-3H-[1,2,3]-tria...)
Show SMILES CC(C)n1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)N2CCOCC2)cc1)N1CCOCC1
Show InChI InChI=1S/C28H33N9O3/c1-19(2)37-27-24(33-34-37)26(36-13-17-40-18-14-36)31-25(32-27)20-3-5-21(6-4-20)29-28(38)30-22-7-9-23(10-8-22)35-11-15-39-16-12-35/h3-10,19H,11-18H2,1-2H3,(H2,29,30,38)
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n/an/a 0.350n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR by DELFIA


J Med Chem 53: 798-810 (2010)


Article DOI: 10.1021/jm9014982
BindingDB Entry DOI: 10.7270/Q2NZ87RZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50308781
PNG
(4-(3-(4-(3-ethyl-7-morpholino-3H-[1,2,3]triazolo[4...)
Show SMILES CCn1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)C(N)=O)cc1)N1CCOCC1
Show InChI InChI=1S/C24H25N9O3/c1-2-33-23-19(30-31-33)22(32-11-13-36-14-12-32)28-21(29-23)16-5-9-18(10-6-16)27-24(35)26-17-7-3-15(4-8-17)20(25)34/h3-10H,2,11-14H2,1H3,(H2,25,34)(H2,26,27,35)
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n/an/a 0.390n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR by DELFIA


J Med Chem 53: 798-810 (2010)


Article DOI: 10.1021/jm9014982
BindingDB Entry DOI: 10.7270/Q2NZ87RZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50308788
PNG
(CHEMBL590587 | N-[2-(Dimethylamino)ethyl]-4-({[4-(...)
Show SMILES CCn1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)C(=O)NCCN(C)C)cc1)N1CCOCC1
Show InChI InChI=1S/C28H34N10O3/c1-4-38-26-23(34-35-38)25(37-15-17-41-18-16-37)32-24(33-26)19-5-9-21(10-6-19)30-28(40)31-22-11-7-20(8-12-22)27(39)29-13-14-36(2)3/h5-12H,4,13-18H2,1-3H3,(H,29,39)(H2,30,31,40)
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n/an/a 0.5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR by DELFIA


J Med Chem 53: 798-810 (2010)


Article DOI: 10.1021/jm9014982
BindingDB Entry DOI: 10.7270/Q2NZ87RZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50308769
PNG
(1-[4-(3-Isopropyl-7-morpholin-4-yl-3H-[1,2,3]-tria...)
Show SMILES CC(C)n1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccncc2)cc1)N1CCOCC1
Show InChI InChI=1S/C23H25N9O2/c1-15(2)32-22-19(29-30-32)21(31-11-13-34-14-12-31)27-20(28-22)16-3-5-17(6-4-16)25-23(33)26-18-7-9-24-10-8-18/h3-10,15H,11-14H2,1-2H3,(H2,24,25,26,33)
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n/an/a 0.510n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR by DELFIA


J Med Chem 53: 798-810 (2010)


Article DOI: 10.1021/jm9014982
BindingDB Entry DOI: 10.7270/Q2NZ87RZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50308785
PNG
(CHEMBL591357 | N-Ethyl-4-({[4-(3-ethyl-7-morpholin...)
Show SMILES CCNC(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3nnn(CC)c3n2)cc1
Show InChI InChI=1S/C26H29N9O3/c1-3-27-25(36)18-7-11-20(12-8-18)29-26(37)28-19-9-5-17(6-10-19)22-30-23(34-13-15-38-16-14-34)21-24(31-22)35(4-2)33-32-21/h5-12H,3-4,13-16H2,1-2H3,(H,27,36)(H2,28,29,37)
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n/an/a 0.560n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR by DELFIA


J Med Chem 53: 798-810 (2010)


Article DOI: 10.1021/jm9014982
BindingDB Entry DOI: 10.7270/Q2NZ87RZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50308774
PNG
(1-(4-(3-Cyclopropyl-7-morpholino-3H-[1,2,3]-triazo...)
Show SMILES O=C(Nc1ccc(cc1)-c1nc(N2CCOCC2)c2nnn(C3CC3)c2n1)Nc1cccnc1
Show InChI InChI=1S/C23H23N9O2/c33-23(26-17-2-1-9-24-14-17)25-16-5-3-15(4-6-16)20-27-21(31-10-12-34-13-11-31)19-22(28-20)32(30-29-19)18-7-8-18/h1-6,9,14,18H,7-8,10-13H2,(H2,25,26,33)
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n/an/a 0.570n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR by DELFIA


J Med Chem 53: 798-810 (2010)


Article DOI: 10.1021/jm9014982
BindingDB Entry DOI: 10.7270/Q2NZ87RZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50308772
PNG
(1-[4-(3-Isopropyl-7-morpholin-4-yl-3H-[1,2,3]-tria...)
Show SMILES CC(C)n1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2cccnc2)cc1)N1CCOCC1
Show InChI InChI=1S/C23H25N9O2/c1-15(2)32-22-19(29-30-32)21(31-10-12-34-13-11-31)27-20(28-22)16-5-7-17(8-6-16)25-23(33)26-18-4-3-9-24-14-18/h3-9,14-15H,10-13H2,1-2H3,(H2,25,26,33)
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n/an/a 0.570n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR by DELFIA


J Med Chem 53: 798-810 (2010)


Article DOI: 10.1021/jm9014982
BindingDB Entry DOI: 10.7270/Q2NZ87RZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50308768
PNG
(1-[4-(3-Ethyl-7-morpholin-4-yl-3H-[1,2,3]triazolo-...)
Show SMILES CCn1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccncc2)cc1)N1CCOCC1
Show InChI InChI=1S/C22H23N9O2/c1-2-31-21-18(28-29-31)20(30-11-13-33-14-12-30)26-19(27-21)15-3-5-16(6-4-15)24-22(32)25-17-7-9-23-10-8-17/h3-10H,2,11-14H2,1H3,(H2,23,24,25,32)
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n/an/a 0.630n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR by DELFIA


J Med Chem 53: 798-810 (2010)


Article DOI: 10.1021/jm9014982
BindingDB Entry DOI: 10.7270/Q2NZ87RZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50308786
PNG
(4-({[4-(3-Ethyl-7-morpholin-4-yl-3H-[1,2,3]-triazo...)
Show SMILES CCn1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)C(=O)N(C)C)cc1)N1CCOCC1
Show InChI InChI=1S/C26H29N9O3/c1-4-35-24-21(31-32-35)23(34-13-15-38-16-14-34)29-22(30-24)17-5-9-19(10-6-17)27-26(37)28-20-11-7-18(8-12-20)25(36)33(2)3/h5-12H,4,13-16H2,1-3H3,(H2,27,28,37)
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n/an/a 0.75n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR by DELFIA


J Med Chem 53: 798-810 (2010)


Article DOI: 10.1021/jm9014982
BindingDB Entry DOI: 10.7270/Q2NZ87RZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50308770
PNG
(1-(4-(3-Cyclopropyl-7-morpholino-3H-[1,2,3]-triazo...)
Show SMILES O=C(Nc1ccncc1)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2nnn(C3CC3)c2n1
Show InChI InChI=1S/C23H23N9O2/c33-23(26-17-7-9-24-10-8-17)25-16-3-1-15(2-4-16)20-27-21(31-11-13-34-14-12-31)19-22(28-20)32(30-29-19)18-5-6-18/h1-4,7-10,18H,5-6,11-14H2,(H2,24,25,26,33)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR by DELFIA


J Med Chem 53: 798-810 (2010)


Article DOI: 10.1021/jm9014982
BindingDB Entry DOI: 10.7270/Q2NZ87RZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50308771
PNG
(1-[4-(3-Ethyl-7-morpholin-4-yl-3H-[1,2,3]triazolo-...)
Show SMILES CCn1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2cccnc2)cc1)N1CCOCC1
Show InChI InChI=1S/C22H23N9O2/c1-2-31-21-18(28-29-31)20(30-10-12-33-13-11-30)26-19(27-21)15-5-7-16(8-6-15)24-22(32)25-17-4-3-9-23-14-17/h3-9,14H,2,10-13H2,1H3,(H2,24,25,32)
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n/an/a 0.890n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR by DELFIA


J Med Chem 53: 798-810 (2010)


Article DOI: 10.1021/jm9014982
BindingDB Entry DOI: 10.7270/Q2NZ87RZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50308788
PNG
(CHEMBL590587 | N-[2-(Dimethylamino)ethyl]-4-({[4-(...)
Show SMILES CCn1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)C(=O)NCCN(C)C)cc1)N1CCOCC1
Show InChI InChI=1S/C28H34N10O3/c1-4-38-26-23(34-35-38)25(37-15-17-41-18-16-37)32-24(33-26)19-5-9-21(10-6-19)30-28(40)31-22-11-7-20(8-12-22)27(39)29-13-14-36(2)3/h5-12H,4,13-18H2,1-3H3,(H,29,39)(H2,30,31,40)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha by fluorescence polarization format assay


J Med Chem 53: 798-810 (2010)


Article DOI: 10.1021/jm9014982
BindingDB Entry DOI: 10.7270/Q2NZ87RZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50308790
PNG
(4-({[4-(3-Ethyl-7-morpholin-4-yl-3H-[1,2,3]-triazo...)
Show SMILES CCn1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)C(=O)NCCN2CCN(C)CC2)cc1)N1CCOCC1
Show InChI InChI=1S/C31H39N11O3/c1-3-42-29-26(37-38-42)28(41-18-20-45-21-19-41)35-27(36-29)22-4-8-24(9-5-22)33-31(44)34-25-10-6-23(7-11-25)30(43)32-12-13-40-16-14-39(2)15-17-40/h4-11H,3,12-21H2,1-2H3,(H,32,43)(H2,33,34,44)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR by DELFIA


J Med Chem 53: 798-810 (2010)


Article DOI: 10.1021/jm9014982
BindingDB Entry DOI: 10.7270/Q2NZ87RZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50308789
PNG
(4-({[4-(3-Ethyl-7-morpholin-4-yl-3H-[1,2,3]-triazo...)
Show SMILES CCn1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)C(=O)NCCc2ccccn2)cc1)N1CCOCC1
Show InChI InChI=1S/C31H32N10O3/c1-2-41-29-26(38-39-41)28(40-17-19-44-20-18-40)36-27(37-29)21-6-10-24(11-7-21)34-31(43)35-25-12-8-22(9-13-25)30(42)33-16-14-23-5-3-4-15-32-23/h3-13,15H,2,14,16-20H2,1H3,(H,33,42)(H2,34,35,43)
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n/an/a 1.21n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR by DELFIA


J Med Chem 53: 798-810 (2010)


Article DOI: 10.1021/jm9014982
BindingDB Entry DOI: 10.7270/Q2NZ87RZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50308767
PNG
(1-[4-(3-Ethyl-7-morpholin-4-yl-3H-[1,2,3]triazolo-...)
Show SMILES CCn1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)C(=O)N2CCN(C)CC2)cc1)N1CCOCC1
Show InChI InChI=1S/C29H34N10O3/c1-3-39-27-24(34-35-39)26(37-16-18-42-19-17-37)32-25(33-27)20-4-8-22(9-5-20)30-29(41)31-23-10-6-21(7-11-23)28(40)38-14-12-36(2)13-15-38/h4-11H,3,12-19H2,1-2H3,(H2,30,31,41)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha by fluorescence polarization format assay


J Med Chem 53: 798-810 (2010)


Article DOI: 10.1021/jm9014982
BindingDB Entry DOI: 10.7270/Q2NZ87RZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50308786
PNG
(4-({[4-(3-Ethyl-7-morpholin-4-yl-3H-[1,2,3]-triazo...)
Show SMILES CCn1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)C(=O)N(C)C)cc1)N1CCOCC1
Show InChI InChI=1S/C26H29N9O3/c1-4-35-24-21(31-32-35)23(34-13-15-38-16-14-34)29-22(30-24)17-5-9-19(10-6-17)27-26(37)28-20-11-7-18(8-12-20)25(36)33(2)3/h5-12H,4,13-16H2,1-3H3,(H2,27,28,37)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha by fluorescence polarization format assay


J Med Chem 53: 798-810 (2010)


Article DOI: 10.1021/jm9014982
BindingDB Entry DOI: 10.7270/Q2NZ87RZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50308779
PNG
(1-(4-Dimethylaminophenyl)-3-[4-(3-isopropyl-7-morp...)
Show SMILES CC(C)n1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)N(C)C)cc1)N1CCOCC1
Show InChI InChI=1S/C26H31N9O2/c1-17(2)35-25-22(31-32-35)24(34-13-15-37-16-14-34)29-23(30-25)18-5-7-19(8-6-18)27-26(36)28-20-9-11-21(12-10-20)33(3)4/h5-12,17H,13-16H2,1-4H3,(H2,27,28,36)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR by DELFIA


J Med Chem 53: 798-810 (2010)


Article DOI: 10.1021/jm9014982
BindingDB Entry DOI: 10.7270/Q2NZ87RZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50308767
PNG
(1-[4-(3-Ethyl-7-morpholin-4-yl-3H-[1,2,3]triazolo-...)
Show SMILES CCn1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)C(=O)N2CCN(C)CC2)cc1)N1CCOCC1
Show InChI InChI=1S/C29H34N10O3/c1-3-39-27-24(34-35-39)26(37-16-18-42-19-17-37)32-25(33-27)20-4-8-22(9-5-20)30-29(41)31-23-10-6-21(7-11-23)28(40)38-14-12-36(2)13-15-38/h4-11H,3,12-19H2,1-2H3,(H2,30,31,41)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR by DELFIA


J Med Chem 53: 798-810 (2010)


Article DOI: 10.1021/jm9014982
BindingDB Entry DOI: 10.7270/Q2NZ87RZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50308791
PNG
(CHEMBL590594 | N-[3-(Dimethylamino)propyl]-4-({[4-...)
Show SMILES CCn1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)C(=O)NCCCN(C)C)cc1)N1CCOCC1
Show InChI InChI=1S/C29H36N10O3/c1-4-39-27-24(35-36-39)26(38-16-18-42-19-17-38)33-25(34-27)20-6-10-22(11-7-20)31-29(41)32-23-12-8-21(9-13-23)28(40)30-14-5-15-37(2)3/h6-13H,4-5,14-19H2,1-3H3,(H,30,40)(H2,31,32,41)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR by DELFIA


J Med Chem 53: 798-810 (2010)


Article DOI: 10.1021/jm9014982
BindingDB Entry DOI: 10.7270/Q2NZ87RZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50308791
PNG
(CHEMBL590594 | N-[3-(Dimethylamino)propyl]-4-({[4-...)
Show SMILES CCn1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)C(=O)NCCCN(C)C)cc1)N1CCOCC1
Show InChI InChI=1S/C29H36N10O3/c1-4-39-27-24(35-36-39)26(38-16-18-42-19-17-38)33-25(34-27)20-6-10-22(11-7-20)31-29(41)32-23-12-8-21(9-13-23)28(40)30-14-5-15-37(2)3/h6-13H,4-5,14-19H2,1-3H3,(H,30,40)(H2,31,32,41)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha by fluorescence polarization format assay


J Med Chem 53: 798-810 (2010)


Article DOI: 10.1021/jm9014982
BindingDB Entry DOI: 10.7270/Q2NZ87RZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50308781
PNG
(4-(3-(4-(3-ethyl-7-morpholino-3H-[1,2,3]triazolo[4...)
Show SMILES CCn1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)C(N)=O)cc1)N1CCOCC1
Show InChI InChI=1S/C24H25N9O3/c1-2-33-23-19(30-31-33)22(32-11-13-36-14-12-32)28-21(29-23)16-5-9-18(10-6-16)27-24(35)26-17-7-3-15(4-8-17)20(25)34/h3-10H,2,11-14H2,1H3,(H2,25,34)(H2,26,27,35)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha by fluorescence polarization format assay


J Med Chem 53: 798-810 (2010)


Article DOI: 10.1021/jm9014982
BindingDB Entry DOI: 10.7270/Q2NZ87RZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50308776
PNG
(1-[4-(3-Ethyl-7-morpholin-4-yl-3H-[1,2,3]triazolo-...)
Show SMILES CCn1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2cccs2)cc1)N1CCOCC1
Show InChI InChI=1S/C21H22N8O2S/c1-2-29-20-17(26-27-29)19(28-9-11-31-12-10-28)24-18(25-20)14-5-7-15(8-6-14)22-21(30)23-16-4-3-13-32-16/h3-8,13H,2,9-12H2,1H3,(H2,22,23,30)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha by fluorescence polarization format assay


J Med Chem 53: 798-810 (2010)


Article DOI: 10.1021/jm9014982
BindingDB Entry DOI: 10.7270/Q2NZ87RZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50308783
PNG
(CHEMBL592063 | methyl 4-(3-(4-(3-ethyl-7-morpholin...)
Show SMILES CCn1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)C(=O)OC)cc1)N1CCOCC1
Show InChI InChI=1S/C25H26N8O4/c1-3-33-23-20(30-31-33)22(32-12-14-37-15-13-32)28-21(29-23)16-4-8-18(9-5-16)26-25(35)27-19-10-6-17(7-11-19)24(34)36-2/h4-11H,3,12-15H2,1-2H3,(H2,26,27,35)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR by DELFIA


J Med Chem 53: 798-810 (2010)


Article DOI: 10.1021/jm9014982
BindingDB Entry DOI: 10.7270/Q2NZ87RZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50308787
PNG
(CHEMBL589412 | N-Butyl-4-({[4-(3-ethyl-7-morpholin...)
Show SMILES CCCCNC(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3nnn(CC)c3n2)cc1
Show InChI InChI=1S/C28H33N9O3/c1-3-5-14-29-27(38)20-8-12-22(13-9-20)31-28(39)30-21-10-6-19(7-11-21)24-32-25(36-15-17-40-18-16-36)23-26(33-24)37(4-2)35-34-23/h6-13H,3-5,14-18H2,1-2H3,(H,29,38)(H2,30,31,39)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR by DELFIA


J Med Chem 53: 798-810 (2010)


Article DOI: 10.1021/jm9014982
BindingDB Entry DOI: 10.7270/Q2NZ87RZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50308773
PNG
(1-[4-(3-Methyl-7-morpholin-4-yl-3H-[1,2,3]-triazol...)
Show SMILES Cn1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2cccnc2)cc1)N1CCOCC1
Show InChI InChI=1S/C21H21N9O2/c1-29-19-17(27-28-29)20(30-9-11-32-12-10-30)26-18(25-19)14-4-6-15(7-5-14)23-21(31)24-16-3-2-8-22-13-16/h2-8,13H,9-12H2,1H3,(H2,23,24,31)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR by DELFIA


J Med Chem 53: 798-810 (2010)


Article DOI: 10.1021/jm9014982
BindingDB Entry DOI: 10.7270/Q2NZ87RZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50308776
PNG
(1-[4-(3-Ethyl-7-morpholin-4-yl-3H-[1,2,3]triazolo-...)
Show SMILES CCn1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2cccs2)cc1)N1CCOCC1
Show InChI InChI=1S/C21H22N8O2S/c1-2-29-20-17(26-27-29)19(28-9-11-31-12-10-28)24-18(25-20)14-5-7-15(8-6-14)22-21(30)23-16-4-3-13-32-16/h3-8,13H,2,9-12H2,1H3,(H2,22,23,30)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR by DELFIA


J Med Chem 53: 798-810 (2010)


Article DOI: 10.1021/jm9014982
BindingDB Entry DOI: 10.7270/Q2NZ87RZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50308785
PNG
(CHEMBL591357 | N-Ethyl-4-({[4-(3-ethyl-7-morpholin...)
Show SMILES CCNC(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3nnn(CC)c3n2)cc1
Show InChI InChI=1S/C26H29N9O3/c1-3-27-25(36)18-7-11-20(12-8-18)29-26(37)28-19-9-5-17(6-10-19)22-30-23(34-13-15-38-16-14-34)21-24(31-22)35(4-2)33-32-21/h5-12H,3-4,13-16H2,1-2H3,(H,27,36)(H2,28,29,37)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha by fluorescence polarization format assay


J Med Chem 53: 798-810 (2010)


Article DOI: 10.1021/jm9014982
BindingDB Entry DOI: 10.7270/Q2NZ87RZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50308777
PNG
(1-(4-(3-Cyclopropyl-7-morpholino-3H-[1,2,3]-triazo...)
Show SMILES O=C(Nc1cccs1)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2nnn(C3CC3)c2n1
Show InChI InChI=1S/C22H22N8O2S/c31-22(24-17-2-1-13-33-17)23-15-5-3-14(4-6-15)19-25-20(29-9-11-32-12-10-29)18-21(26-19)30(28-27-18)16-7-8-16/h1-6,13,16H,7-12H2,(H2,23,24,31)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha by fluorescence polarization format assay


J Med Chem 53: 798-810 (2010)


Article DOI: 10.1021/jm9014982
BindingDB Entry DOI: 10.7270/Q2NZ87RZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50308777
PNG
(1-(4-(3-Cyclopropyl-7-morpholino-3H-[1,2,3]-triazo...)
Show SMILES O=C(Nc1cccs1)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2nnn(C3CC3)c2n1
Show InChI InChI=1S/C22H22N8O2S/c31-22(24-17-2-1-13-33-17)23-15-5-3-14(4-6-15)19-25-20(29-9-11-32-12-10-29)18-21(26-19)30(28-27-18)16-7-8-16/h1-6,13,16H,7-12H2,(H2,23,24,31)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR by DELFIA


J Med Chem 53: 798-810 (2010)


Article DOI: 10.1021/jm9014982
BindingDB Entry DOI: 10.7270/Q2NZ87RZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50308790
PNG
(4-({[4-(3-Ethyl-7-morpholin-4-yl-3H-[1,2,3]-triazo...)
Show SMILES CCn1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)C(=O)NCCN2CCN(C)CC2)cc1)N1CCOCC1
Show InChI InChI=1S/C31H39N11O3/c1-3-42-29-26(37-38-42)28(41-18-20-45-21-19-41)35-27(36-29)22-4-8-24(9-5-22)33-31(44)34-25-10-6-23(7-11-25)30(43)32-12-13-40-16-14-39(2)15-17-40/h4-11H,3,12-21H2,1-2H3,(H,32,43)(H2,33,34,44)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha by fluorescence polarization format assay


J Med Chem 53: 798-810 (2010)


Article DOI: 10.1021/jm9014982
BindingDB Entry DOI: 10.7270/Q2NZ87RZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50308780
PNG
(1-(4-Hydroxymethylphenyl)-3-[4-(3-isopropyl-7-morp...)
Show SMILES CC(C)n1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(CO)cc2)cc1)N1CCOCC1
Show InChI InChI=1S/C25H28N8O3/c1-16(2)33-24-21(30-31-33)23(32-11-13-36-14-12-32)28-22(29-24)18-5-9-20(10-6-18)27-25(35)26-19-7-3-17(15-34)4-8-19/h3-10,16,34H,11-15H2,1-2H3,(H2,26,27,35)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha by fluorescence polarization format assay


J Med Chem 53: 798-810 (2010)


Article DOI: 10.1021/jm9014982
BindingDB Entry DOI: 10.7270/Q2NZ87RZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50308782
PNG
(4-{3-[4-(3-Isopropyl-7-morpholin-4-yl-3H-[1,2,3]-t...)
Show SMILES CC(C)n1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)C(N)=O)cc1)N1CCOCC1
Show InChI InChI=1S/C25H27N9O3/c1-15(2)34-24-20(31-32-34)23(33-11-13-37-14-12-33)29-22(30-24)17-5-9-19(10-6-17)28-25(36)27-18-7-3-16(4-8-18)21(26)35/h3-10,15H,11-14H2,1-2H3,(H2,26,35)(H2,27,28,36)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha by fluorescence polarization format assay


J Med Chem 53: 798-810 (2010)


Article DOI: 10.1021/jm9014982
BindingDB Entry DOI: 10.7270/Q2NZ87RZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50308775
PNG
(CHEMBL589600 | [4-(3-Methyl-7-morpholin-4-yl-3H-[1...)
Show SMILES Cn1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2cccs2)cc1)N1CCOCC1
Show InChI InChI=1S/C20H20N8O2S/c1-27-18-16(25-26-27)19(28-8-10-30-11-9-28)24-17(23-18)13-4-6-14(7-5-13)21-20(29)22-15-3-2-12-31-15/h2-7,12H,8-11H2,1H3,(H2,21,22,29)
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n/an/a 3.70n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR by DELFIA


J Med Chem 53: 798-810 (2010)


Article DOI: 10.1021/jm9014982
BindingDB Entry DOI: 10.7270/Q2NZ87RZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50308768
PNG
(1-[4-(3-Ethyl-7-morpholin-4-yl-3H-[1,2,3]triazolo-...)
Show SMILES CCn1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccncc2)cc1)N1CCOCC1
Show InChI InChI=1S/C22H23N9O2/c1-2-31-21-18(28-29-31)20(30-11-13-33-14-12-30)26-19(27-21)15-3-5-16(6-4-15)24-22(32)25-17-7-9-23-10-8-17/h3-10H,2,11-14H2,1H3,(H2,23,24,25,32)
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n/an/a 5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha by fluorescence polarization format assay


J Med Chem 53: 798-810 (2010)


Article DOI: 10.1021/jm9014982
BindingDB Entry DOI: 10.7270/Q2NZ87RZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50308769
PNG
(1-[4-(3-Isopropyl-7-morpholin-4-yl-3H-[1,2,3]-tria...)
Show SMILES CC(C)n1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccncc2)cc1)N1CCOCC1
Show InChI InChI=1S/C23H25N9O2/c1-15(2)32-22-19(29-30-32)21(31-11-13-34-14-12-31)27-20(28-22)16-3-5-17(6-4-16)25-23(33)26-18-7-9-24-10-8-18/h3-10,15H,11-14H2,1-2H3,(H2,24,25,26,33)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha by fluorescence polarization format assay


J Med Chem 53: 798-810 (2010)


Article DOI: 10.1021/jm9014982
BindingDB Entry DOI: 10.7270/Q2NZ87RZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50308770
PNG
(1-(4-(3-Cyclopropyl-7-morpholino-3H-[1,2,3]-triazo...)
Show SMILES O=C(Nc1ccncc1)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2nnn(C3CC3)c2n1
Show InChI InChI=1S/C23H23N9O2/c33-23(26-17-7-9-24-10-8-17)25-16-3-1-15(2-4-16)20-27-21(31-11-13-34-14-12-31)19-22(28-20)32(30-29-19)18-5-6-18/h1-4,7-10,18H,5-6,11-14H2,(H2,24,25,26,33)
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n/an/a 6n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha by fluorescence polarization format assay


J Med Chem 53: 798-810 (2010)


Article DOI: 10.1021/jm9014982
BindingDB Entry DOI: 10.7270/Q2NZ87RZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50308787
PNG
(CHEMBL589412 | N-Butyl-4-({[4-(3-ethyl-7-morpholin...)
Show SMILES CCCCNC(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3nnn(CC)c3n2)cc1
Show InChI InChI=1S/C28H33N9O3/c1-3-5-14-29-27(38)20-8-12-22(13-9-20)31-28(39)30-21-10-6-19(7-11-21)24-32-25(36-15-17-40-18-16-36)23-26(33-24)37(4-2)35-34-23/h6-13H,3-5,14-18H2,1-2H3,(H,29,38)(H2,30,31,39)
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n/an/a 6n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha by fluorescence polarization format assay


J Med Chem 53: 798-810 (2010)


Article DOI: 10.1021/jm9014982
BindingDB Entry DOI: 10.7270/Q2NZ87RZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50308775
PNG
(CHEMBL589600 | [4-(3-Methyl-7-morpholin-4-yl-3H-[1...)
Show SMILES Cn1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2cccs2)cc1)N1CCOCC1
Show InChI InChI=1S/C20H20N8O2S/c1-27-18-16(25-26-27)19(28-8-10-30-11-9-28)24-17(23-18)13-4-6-14(7-5-13)21-20(29)22-15-3-2-12-31-15/h2-7,12H,8-11H2,1H3,(H2,21,22,29)
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n/an/a 6.5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha by fluorescence polarization format assay


J Med Chem 53: 798-810 (2010)


Article DOI: 10.1021/jm9014982
BindingDB Entry DOI: 10.7270/Q2NZ87RZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50308789
PNG
(4-({[4-(3-Ethyl-7-morpholin-4-yl-3H-[1,2,3]-triazo...)
Show SMILES CCn1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)C(=O)NCCc2ccccn2)cc1)N1CCOCC1
Show InChI InChI=1S/C31H32N10O3/c1-2-41-29-26(38-39-41)28(40-17-19-44-20-18-40)36-27(37-29)21-6-10-24(11-7-21)34-31(43)35-25-12-8-22(9-13-25)30(42)33-16-14-23-5-3-4-15-32-23/h3-13,15H,2,14,16-20H2,1H3,(H,33,42)(H2,34,35,43)
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n/an/a 6.80n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha by fluorescence polarization format assay


J Med Chem 53: 798-810 (2010)


Article DOI: 10.1021/jm9014982
BindingDB Entry DOI: 10.7270/Q2NZ87RZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (human))
BDBM50308767
PNG
(1-[4-(3-Ethyl-7-morpholin-4-yl-3H-[1,2,3]triazolo-...)
Show SMILES CCn1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)C(=O)N2CCN(C)CC2)cc1)N1CCOCC1
Show InChI InChI=1S/C29H34N10O3/c1-3-39-27-24(34-35-39)26(37-16-18-42-19-17-37)32-25(33-27)20-4-8-22(9-5-20)30-29(41)31-23-10-6-21(7-11-23)28(40)38-14-12-36(2)13-15-38/h4-11H,3,12-19H2,1-2H3,(H2,30,31,41)
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n/an/a 7n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta


J Med Chem 53: 798-810 (2010)


Article DOI: 10.1021/jm9014982
BindingDB Entry DOI: 10.7270/Q2NZ87RZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50308778
PNG
(1-[4-(3-Ethyl-7-morpholin-4-yl-3H-[1,2,3]triazolo-...)
Show SMILES CCn1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccnc(C)c2)cc1)N1CCOCC1
Show InChI InChI=1S/C23H25N9O2/c1-3-32-22-19(29-30-32)21(31-10-12-34-13-11-31)27-20(28-22)16-4-6-17(7-5-16)25-23(33)26-18-8-9-24-15(2)14-18/h4-9,14H,3,10-13H2,1-2H3,(H2,24,25,26,33)
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n/an/a 8n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha by fluorescence polarization format assay


J Med Chem 53: 798-810 (2010)


Article DOI: 10.1021/jm9014982
BindingDB Entry DOI: 10.7270/Q2NZ87RZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (human))
BDBM50308791
PNG
(CHEMBL590594 | N-[3-(Dimethylamino)propyl]-4-({[4-...)
Show SMILES CCn1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)C(=O)NCCCN(C)C)cc1)N1CCOCC1
Show InChI InChI=1S/C29H36N10O3/c1-4-39-27-24(35-36-39)26(38-16-18-42-19-17-38)33-25(34-27)20-6-10-22(11-7-20)31-29(41)32-23-12-8-21(9-13-23)28(40)30-14-5-15-37(2)3/h6-13H,4-5,14-19H2,1-3H3,(H,30,40)(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 human PI3Kgamma by fluorescence polarization format assay


J Med Chem 53: 798-810 (2010)


Article DOI: 10.1021/jm9014982
BindingDB Entry DOI: 10.7270/Q2NZ87RZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (human))
BDBM50308767
PNG
(1-[4-(3-Ethyl-7-morpholin-4-yl-3H-[1,2,3]triazolo-...)
Show SMILES CCn1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)C(=O)N2CCN(C)CC2)cc1)N1CCOCC1
Show InChI InChI=1S/C29H34N10O3/c1-3-39-27-24(34-35-39)26(37-16-18-42-19-17-37)32-25(33-27)20-4-8-22(9-5-20)30-29(41)31-23-10-6-21(7-11-23)28(40)38-14-12-36(2)13-15-38/h4-11H,3,12-19H2,1-2H3,(H2,30,31,41)
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n/an/a 9.20n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma by fluorescence polarization format assay


J Med Chem 53: 798-810 (2010)


Article DOI: 10.1021/jm9014982
BindingDB Entry DOI: 10.7270/Q2NZ87RZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50308771
PNG
(1-[4-(3-Ethyl-7-morpholin-4-yl-3H-[1,2,3]triazolo-...)
Show SMILES CCn1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2cccnc2)cc1)N1CCOCC1
Show InChI InChI=1S/C22H23N9O2/c1-2-31-21-18(28-29-31)20(30-10-12-33-13-11-30)26-19(27-21)15-5-7-16(8-6-15)24-22(32)25-17-4-3-9-23-14-17/h3-9,14H,2,10-13H2,1H3,(H2,24,25,32)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha by fluorescence polarization format assay


J Med Chem 53: 798-810 (2010)


Article DOI: 10.1021/jm9014982
BindingDB Entry DOI: 10.7270/Q2NZ87RZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50308772
PNG
(1-[4-(3-Isopropyl-7-morpholin-4-yl-3H-[1,2,3]-tria...)
Show SMILES CC(C)n1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2cccnc2)cc1)N1CCOCC1
Show InChI InChI=1S/C23H25N9O2/c1-15(2)32-22-19(29-30-32)21(31-10-12-34-13-11-31)27-20(28-22)16-5-7-17(8-6-16)25-23(33)26-18-4-3-9-24-14-18/h3-9,14-15H,10-13H2,1-2H3,(H2,25,26,33)
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n/an/a 10.5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha by fluorescence polarization format assay


J Med Chem 53: 798-810 (2010)


Article DOI: 10.1021/jm9014982
BindingDB Entry DOI: 10.7270/Q2NZ87RZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50308774
PNG
(1-(4-(3-Cyclopropyl-7-morpholino-3H-[1,2,3]-triazo...)
Show SMILES O=C(Nc1ccc(cc1)-c1nc(N2CCOCC2)c2nnn(C3CC3)c2n1)Nc1cccnc1
Show InChI InChI=1S/C23H23N9O2/c33-23(26-17-2-1-9-24-14-17)25-16-5-3-15(4-6-16)20-27-21(31-10-12-34-13-11-31)19-22(28-20)32(30-29-19)18-7-8-18/h1-6,9,14,18H,7-8,10-13H2,(H2,25,26,33)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha by fluorescence polarization format assay


J Med Chem 53: 798-810 (2010)


Article DOI: 10.1021/jm9014982
BindingDB Entry DOI: 10.7270/Q2NZ87RZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50308773
PNG
(1-[4-(3-Methyl-7-morpholin-4-yl-3H-[1,2,3]-triazol...)
Show SMILES Cn1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2cccnc2)cc1)N1CCOCC1
Show InChI InChI=1S/C21H21N9O2/c1-29-19-17(27-28-29)20(30-9-11-32-12-10-30)26-18(25-19)14-4-6-15(7-5-14)23-21(31)24-16-3-2-8-22-13-16/h2-8,13H,9-12H2,1H3,(H2,23,24,31)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha by fluorescence polarization format assay


J Med Chem 53: 798-810 (2010)


Article DOI: 10.1021/jm9014982
BindingDB Entry DOI: 10.7270/Q2NZ87RZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (human))
BDBM50308776
PNG
(1-[4-(3-Ethyl-7-morpholin-4-yl-3H-[1,2,3]triazolo-...)
Show SMILES CCn1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2cccs2)cc1)N1CCOCC1
Show InChI InChI=1S/C21H22N8O2S/c1-2-29-20-17(26-27-29)19(28-9-11-31-12-10-28)24-18(25-20)14-5-7-15(8-6-14)22-21(30)23-16-4-3-13-32-16/h3-8,13H,2,9-12H2,1H3,(H2,22,23,30)
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n/an/a 11.5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma by fluorescence polarization format assay


J Med Chem 53: 798-810 (2010)


Article DOI: 10.1021/jm9014982
BindingDB Entry DOI: 10.7270/Q2NZ87RZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (human))
BDBM50308788
PNG
(CHEMBL590587 | N-[2-(Dimethylamino)ethyl]-4-({[4-(...)
Show SMILES CCn1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)C(=O)NCCN(C)C)cc1)N1CCOCC1
Show InChI InChI=1S/C28H34N10O3/c1-4-38-26-23(34-35-38)25(37-15-17-41-18-16-37)32-24(33-26)19-5-9-21(10-6-19)30-28(40)31-22-11-7-20(8-12-22)27(39)29-13-14-36(2)3/h5-12H,4,13-18H2,1-3H3,(H,29,39)(H2,30,31,40)
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n/an/a 12n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma by fluorescence polarization format assay


J Med Chem 53: 798-810 (2010)


Article DOI: 10.1021/jm9014982
BindingDB Entry DOI: 10.7270/Q2NZ87RZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (human))
BDBM50308781
PNG
(4-(3-(4-(3-ethyl-7-morpholino-3H-[1,2,3]triazolo[4...)
Show SMILES CCn1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)C(N)=O)cc1)N1CCOCC1
Show InChI InChI=1S/C24H25N9O3/c1-2-33-23-19(30-31-33)22(32-11-13-36-14-12-32)28-21(29-23)16-5-9-18(10-6-16)27-24(35)26-17-7-3-15(4-8-17)20(25)34/h3-10H,2,11-14H2,1H3,(H2,25,34)(H2,26,27,35)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma by fluorescence polarization format assay


J Med Chem 53: 798-810 (2010)


Article DOI: 10.1021/jm9014982
BindingDB Entry DOI: 10.7270/Q2NZ87RZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (human))
BDBM50308786
PNG
(4-({[4-(3-Ethyl-7-morpholin-4-yl-3H-[1,2,3]-triazo...)
Show SMILES CCn1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)C(=O)N(C)C)cc1)N1CCOCC1
Show InChI InChI=1S/C26H29N9O3/c1-4-35-24-21(31-32-35)23(34-13-15-38-16-14-34)29-22(30-24)17-5-9-19(10-6-17)27-26(37)28-20-11-7-18(8-12-20)25(36)33(2)3/h5-12H,4,13-16H2,1-3H3,(H2,27,28,37)
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n/an/a 12.3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma by fluorescence polarization format assay


J Med Chem 53: 798-810 (2010)


Article DOI: 10.1021/jm9014982
BindingDB Entry DOI: 10.7270/Q2NZ87RZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (human))
BDBM50308770
PNG
(1-(4-(3-Cyclopropyl-7-morpholino-3H-[1,2,3]-triazo...)
Show SMILES O=C(Nc1ccncc1)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2nnn(C3CC3)c2n1
Show InChI InChI=1S/C23H23N9O2/c33-23(26-17-7-9-24-10-8-17)25-16-3-1-15(2-4-16)20-27-21(31-11-13-34-14-12-31)19-22(28-20)32(30-29-19)18-5-6-18/h1-4,7-10,18H,5-6,11-14H2,(H2,24,25,26,33)
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n/an/a 13.5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma by fluorescence polarization format assay


J Med Chem 53: 798-810 (2010)


Article DOI: 10.1021/jm9014982
BindingDB Entry DOI: 10.7270/Q2NZ87RZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (human))
BDBM50308767
PNG
(1-[4-(3-Ethyl-7-morpholin-4-yl-3H-[1,2,3]triazolo-...)
Show SMILES CCn1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)C(=O)N2CCN(C)CC2)cc1)N1CCOCC1
Show InChI InChI=1S/C29H34N10O3/c1-3-39-27-24(34-35-39)26(37-16-18-42-19-17-37)32-25(33-27)20-4-8-22(9-5-20)30-29(41)31-23-10-6-21(7-11-23)28(40)38-14-12-36(2)13-15-38/h4-11H,3,12-19H2,1-2H3,(H2,30,31,41)
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n/an/a 16n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta


J Med Chem 53: 798-810 (2010)


Article DOI: 10.1021/jm9014982
BindingDB Entry DOI: 10.7270/Q2NZ87RZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (human))
BDBM50308785
PNG
(CHEMBL591357 | N-Ethyl-4-({[4-(3-ethyl-7-morpholin...)
Show SMILES CCNC(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3nnn(CC)c3n2)cc1
Show InChI InChI=1S/C26H29N9O3/c1-3-27-25(36)18-7-11-20(12-8-18)29-26(37)28-19-9-5-17(6-10-19)22-30-23(34-13-15-38-16-14-34)21-24(31-22)35(4-2)33-32-21/h5-12H,3-4,13-16H2,1-2H3,(H,27,36)(H2,28,29,37)
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n/an/a 17.2n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma by fluorescence polarization format assay


J Med Chem 53: 798-810 (2010)


Article DOI: 10.1021/jm9014982
BindingDB Entry DOI: 10.7270/Q2NZ87RZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (human))
BDBM50308782
PNG
(4-{3-[4-(3-Isopropyl-7-morpholin-4-yl-3H-[1,2,3]-t...)
Show SMILES CC(C)n1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)C(N)=O)cc1)N1CCOCC1
Show InChI InChI=1S/C25H27N9O3/c1-15(2)34-24-20(31-32-34)23(33-11-13-37-14-12-33)29-22(30-24)17-5-9-19(10-6-17)28-25(36)27-18-7-3-16(4-8-18)21(26)35/h3-10,15H,11-14H2,1-2H3,(H2,26,35)(H2,27,28,36)
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n/an/a 17.5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma by fluorescence polarization format assay


J Med Chem 53: 798-810 (2010)


Article DOI: 10.1021/jm9014982
BindingDB Entry DOI: 10.7270/Q2NZ87RZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (human))
BDBM50308768
PNG
(1-[4-(3-Ethyl-7-morpholin-4-yl-3H-[1,2,3]triazolo-...)
Show SMILES CCn1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccncc2)cc1)N1CCOCC1
Show InChI InChI=1S/C22H23N9O2/c1-2-31-21-18(28-29-31)20(30-11-13-33-14-12-30)26-19(27-21)15-3-5-16(6-4-15)24-22(32)25-17-7-9-23-10-8-17/h3-10H,2,11-14H2,1H3,(H2,23,24,25,32)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma by fluorescence polarization format assay


J Med Chem 53: 798-810 (2010)


Article DOI: 10.1021/jm9014982
BindingDB Entry DOI: 10.7270/Q2NZ87RZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (human))
BDBM50308777
PNG
(1-(4-(3-Cyclopropyl-7-morpholino-3H-[1,2,3]-triazo...)
Show SMILES O=C(Nc1cccs1)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2nnn(C3CC3)c2n1
Show InChI InChI=1S/C22H22N8O2S/c31-22(24-17-2-1-13-33-17)23-15-5-3-14(4-6-15)19-25-20(29-9-11-32-12-10-29)18-21(26-19)30(28-27-18)16-7-8-16/h1-6,13,16H,7-12H2,(H2,23,24,31)
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n/an/a 19.5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma by fluorescence polarization format assay


J Med Chem 53: 798-810 (2010)


Article DOI: 10.1021/jm9014982
BindingDB Entry DOI: 10.7270/Q2NZ87RZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50308778
PNG
(1-[4-(3-Ethyl-7-morpholin-4-yl-3H-[1,2,3]triazolo-...)
Show SMILES CCn1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccnc(C)c2)cc1)N1CCOCC1
Show InChI InChI=1S/C23H25N9O2/c1-3-32-22-19(29-30-32)21(31-10-12-34-13-11-31)27-20(28-22)16-4-6-17(7-5-16)25-23(33)26-18-8-9-24-15(2)14-18/h4-9,14H,3,10-13H2,1-2H3,(H2,24,25,26,33)
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n/an/a 21n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR by DELFIA


J Med Chem 53: 798-810 (2010)


Article DOI: 10.1021/jm9014982
BindingDB Entry DOI: 10.7270/Q2NZ87RZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (human))
BDBM50308769
PNG
(1-[4-(3-Isopropyl-7-morpholin-4-yl-3H-[1,2,3]-tria...)
Show SMILES CC(C)n1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccncc2)cc1)N1CCOCC1
Show InChI InChI=1S/C23H25N9O2/c1-15(2)32-22-19(29-30-32)21(31-11-13-34-14-12-31)27-20(28-22)16-3-5-17(6-4-16)25-23(33)26-18-7-9-24-10-8-18/h3-10,15H,11-14H2,1-2H3,(H2,24,25,26,33)
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n/an/a 21.5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma by fluorescence polarization format assay


J Med Chem 53: 798-810 (2010)


Article DOI: 10.1021/jm9014982
BindingDB Entry DOI: 10.7270/Q2NZ87RZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (human))
BDBM50308775
PNG
(CHEMBL589600 | [4-(3-Methyl-7-morpholin-4-yl-3H-[1...)
Show SMILES Cn1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2cccs2)cc1)N1CCOCC1
Show InChI InChI=1S/C20H20N8O2S/c1-27-18-16(25-26-27)19(28-8-10-30-11-9-28)24-17(23-18)13-4-6-14(7-5-13)21-20(29)22-15-3-2-12-31-15/h2-7,12H,8-11H2,1H3,(H2,21,22,29)
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n/an/a 22n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma by fluorescence polarization format assay


J Med Chem 53: 798-810 (2010)


Article DOI: 10.1021/jm9014982
BindingDB Entry DOI: 10.7270/Q2NZ87RZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (human))
BDBM50308789
PNG
(4-({[4-(3-Ethyl-7-morpholin-4-yl-3H-[1,2,3]-triazo...)
Show SMILES CCn1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)C(=O)NCCc2ccccn2)cc1)N1CCOCC1
Show InChI InChI=1S/C31H32N10O3/c1-2-41-29-26(38-39-41)28(40-17-19-44-20-18-40)36-27(37-29)21-6-10-24(11-7-21)34-31(43)35-25-12-8-22(9-13-25)30(42)33-16-14-23-5-3-4-15-32-23/h3-13,15H,2,14,16-20H2,1H3,(H,33,42)(H2,34,35,43)
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n/an/a 22n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma by fluorescence polarization format assay


J Med Chem 53: 798-810 (2010)


Article DOI: 10.1021/jm9014982
BindingDB Entry DOI: 10.7270/Q2NZ87RZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50308783
PNG
(CHEMBL592063 | methyl 4-(3-(4-(3-ethyl-7-morpholin...)
Show SMILES CCn1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)C(=O)OC)cc1)N1CCOCC1
Show InChI InChI=1S/C25H26N8O4/c1-3-33-23-20(30-31-33)22(32-12-14-37-15-13-32)28-21(29-23)16-4-8-18(9-5-16)26-25(35)27-19-10-6-17(7-11-19)24(34)36-2/h4-11H,3,12-15H2,1-2H3,(H2,26,27,35)
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n/an/a 23.3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha by fluorescence polarization format assay


J Med Chem 53: 798-810 (2010)


Article DOI: 10.1021/jm9014982
BindingDB Entry DOI: 10.7270/Q2NZ87RZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50308779
PNG
(1-(4-Dimethylaminophenyl)-3-[4-(3-isopropyl-7-morp...)
Show SMILES CC(C)n1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)N(C)C)cc1)N1CCOCC1
Show InChI InChI=1S/C26H31N9O2/c1-17(2)35-25-22(31-32-35)24(34-13-15-37-16-14-34)29-23(30-25)18-5-7-19(8-6-18)27-26(36)28-20-9-11-21(12-10-20)33(3)4/h5-12,17H,13-16H2,1-4H3,(H2,27,28,36)
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n/an/a 23.5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha by fluorescence polarization format assay


J Med Chem 53: 798-810 (2010)


Article DOI: 10.1021/jm9014982
BindingDB Entry DOI: 10.7270/Q2NZ87RZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (human))
BDBM50308780
PNG
(1-(4-Hydroxymethylphenyl)-3-[4-(3-isopropyl-7-morp...)
Show SMILES CC(C)n1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(CO)cc2)cc1)N1CCOCC1
Show InChI InChI=1S/C25H28N8O3/c1-16(2)33-24-21(30-31-33)23(32-11-13-36-14-12-32)28-22(29-24)18-5-9-20(10-6-18)27-25(35)26-19-7-3-17(15-34)4-8-19/h3-10,16,34H,11-15H2,1-2H3,(H2,26,27,35)
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n/an/a 24.8n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma by fluorescence polarization format assay


J Med Chem 53: 798-810 (2010)


Article DOI: 10.1021/jm9014982
BindingDB Entry DOI: 10.7270/Q2NZ87RZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50308784
PNG
(1-[4-(3-Isopropyl-7-morpholin-4-yl-3H-[1,2,3]-tria...)
Show SMILES CC(C)n1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)N2CCOCC2)cc1)N1CCOCC1
Show InChI InChI=1S/C28H33N9O3/c1-19(2)37-27-24(33-34-37)26(36-13-17-40-18-14-36)31-25(32-27)20-3-5-21(6-4-20)29-28(38)30-22-7-9-23(10-8-22)35-11-15-39-16-12-35/h3-10,19H,11-18H2,1-2H3,(H2,29,30,38)
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n/an/a 25n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha by fluorescence polarization format assay


J Med Chem 53: 798-810 (2010)


Article DOI: 10.1021/jm9014982
BindingDB Entry DOI: 10.7270/Q2NZ87RZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (human))
BDBM50308790
PNG
(4-({[4-(3-Ethyl-7-morpholin-4-yl-3H-[1,2,3]-triazo...)
Show SMILES CCn1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)C(=O)NCCN2CCN(C)CC2)cc1)N1CCOCC1
Show InChI InChI=1S/C31H39N11O3/c1-3-42-29-26(37-38-42)28(41-18-20-45-21-19-41)35-27(36-29)22-4-8-24(9-5-22)33-31(44)34-25-10-6-23(7-11-25)30(43)32-12-13-40-16-14-39(2)15-17-40/h4-11H,3,12-21H2,1-2H3,(H,32,43)(H2,33,34,44)
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n/an/a 25n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma by fluorescence polarization format assay


J Med Chem 53: 798-810 (2010)


Article DOI: 10.1021/jm9014982
BindingDB Entry DOI: 10.7270/Q2NZ87RZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (human))
BDBM50308771
PNG
(1-[4-(3-Ethyl-7-morpholin-4-yl-3H-[1,2,3]triazolo-...)
Show SMILES CCn1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2cccnc2)cc1)N1CCOCC1
Show InChI InChI=1S/C22H23N9O2/c1-2-31-21-18(28-29-31)20(30-10-12-33-13-11-30)26-19(27-21)15-5-7-16(8-6-15)24-22(32)25-17-4-3-9-23-14-17/h3-9,14H,2,10-13H2,1H3,(H2,24,25,32)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma by fluorescence polarization format assay


J Med Chem 53: 798-810 (2010)


Article DOI: 10.1021/jm9014982
BindingDB Entry DOI: 10.7270/Q2NZ87RZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (human))
BDBM50308787
PNG
(CHEMBL589412 | N-Butyl-4-({[4-(3-ethyl-7-morpholin...)
Show SMILES CCCCNC(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3nnn(CC)c3n2)cc1
Show InChI InChI=1S/C28H33N9O3/c1-3-5-14-29-27(38)20-8-12-22(13-9-20)31-28(39)30-21-10-6-19(7-11-21)24-32-25(36-15-17-40-18-16-36)23-26(33-24)37(4-2)35-34-23/h6-13H,3-5,14-18H2,1-2H3,(H,29,38)(H2,30,31,39)
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n/an/a 33n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma by fluorescence polarization format assay


J Med Chem 53: 798-810 (2010)


Article DOI: 10.1021/jm9014982
BindingDB Entry DOI: 10.7270/Q2NZ87RZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (human))
BDBM50308778
PNG
(1-[4-(3-Ethyl-7-morpholin-4-yl-3H-[1,2,3]triazolo-...)
Show SMILES CCn1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccnc(C)c2)cc1)N1CCOCC1
Show InChI InChI=1S/C23H25N9O2/c1-3-32-22-19(29-30-32)21(31-10-12-34-13-11-31)27-20(28-22)16-4-6-17(7-5-16)25-23(33)26-18-8-9-24-15(2)14-18/h4-9,14H,3,10-13H2,1-2H3,(H2,24,25,26,33)
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n/an/a 37n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma by fluorescence polarization format assay


J Med Chem 53: 798-810 (2010)


Article DOI: 10.1021/jm9014982
BindingDB Entry DOI: 10.7270/Q2NZ87RZ
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 45n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha by fluorescence polarization format assay


J Med Chem 53: 798-810 (2010)


Article DOI: 10.1021/jm9014982
BindingDB Entry DOI: 10.7270/Q2NZ87RZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (human))
BDBM50308772
PNG
(1-[4-(3-Isopropyl-7-morpholin-4-yl-3H-[1,2,3]-tria...)
Show SMILES CC(C)n1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2cccnc2)cc1)N1CCOCC1
Show InChI InChI=1S/C23H25N9O2/c1-15(2)32-22-19(29-30-32)21(31-10-12-34-13-11-31)27-20(28-22)16-5-7-17(8-6-16)25-23(33)26-18-4-3-9-24-14-18/h3-9,14-15H,10-13H2,1-2H3,(H2,25,26,33)
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n/an/a 48.5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma by fluorescence polarization format assay


J Med Chem 53: 798-810 (2010)


Article DOI: 10.1021/jm9014982
BindingDB Entry DOI: 10.7270/Q2NZ87RZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (human))
BDBM50308774
PNG
(1-(4-(3-Cyclopropyl-7-morpholino-3H-[1,2,3]-triazo...)
Show SMILES O=C(Nc1ccc(cc1)-c1nc(N2CCOCC2)c2nnn(C3CC3)c2n1)Nc1cccnc1
Show InChI InChI=1S/C23H23N9O2/c33-23(26-17-2-1-9-24-14-17)25-16-5-3-15(4-6-16)20-27-21(31-10-12-34-13-11-31)19-22(28-20)32(30-29-19)18-7-8-18/h1-6,9,14,18H,7-8,10-13H2,(H2,25,26,33)
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n/an/a 48.5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma by fluorescence polarization format assay


J Med Chem 53: 798-810 (2010)


Article DOI: 10.1021/jm9014982
BindingDB Entry DOI: 10.7270/Q2NZ87RZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (human))
BDBM50308773
PNG
(1-[4-(3-Methyl-7-morpholin-4-yl-3H-[1,2,3]-triazol...)
Show SMILES Cn1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2cccnc2)cc1)N1CCOCC1
Show InChI InChI=1S/C21H21N9O2/c1-29-19-17(27-28-29)20(30-9-11-32-12-10-30)26-18(25-19)14-4-6-15(7-5-14)23-21(31)24-16-3-2-8-22-13-16/h2-8,13H,9-12H2,1H3,(H2,23,24,31)
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n/an/a 49n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma by fluorescence polarization format assay


J Med Chem 53: 798-810 (2010)


Article DOI: 10.1021/jm9014982
BindingDB Entry DOI: 10.7270/Q2NZ87RZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (human))
BDBM50308779
PNG
(1-(4-Dimethylaminophenyl)-3-[4-(3-isopropyl-7-morp...)
Show SMILES CC(C)n1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)N(C)C)cc1)N1CCOCC1
Show InChI InChI=1S/C26H31N9O2/c1-17(2)35-25-22(31-32-35)24(34-13-15-37-16-14-34)29-23(30-25)18-5-7-19(8-6-18)27-26(36)28-20-9-11-21(12-10-20)33(3)4/h5-12,17H,13-16H2,1-4H3,(H2,27,28,36)
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n/an/a 69n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma by fluorescence polarization format assay


J Med Chem 53: 798-810 (2010)


Article DOI: 10.1021/jm9014982
BindingDB Entry DOI: 10.7270/Q2NZ87RZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (human))
BDBM50308784
PNG
(1-[4-(3-Isopropyl-7-morpholin-4-yl-3H-[1,2,3]-tria...)
Show SMILES CC(C)n1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)N2CCOCC2)cc1)N1CCOCC1
Show InChI InChI=1S/C28H33N9O3/c1-19(2)37-27-24(33-34-37)26(36-13-17-40-18-14-36)31-25(32-27)20-3-5-21(6-4-20)29-28(38)30-22-7-9-23(10-8-22)35-11-15-39-16-12-35/h3-10,19H,11-18H2,1-2H3,(H2,29,30,38)
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n/an/a 78n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma by fluorescence polarization format assay


J Med Chem 53: 798-810 (2010)


Article DOI: 10.1021/jm9014982
BindingDB Entry DOI: 10.7270/Q2NZ87RZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50308792
PNG
((3-(3-(1-benzylpiperidin-4-yl)-7-morpholino-3H-[1,...)
Show SMILES OCc1cccc(c1)-c1nc(N2CCOCC2)c2nnn(C3CCN(Cc4ccccc4)CC3)c2n1
Show InChI InChI=1S/C27H31N7O2/c35-19-21-7-4-8-22(17-21)25-28-26(33-13-15-36-16-14-33)24-27(29-25)34(31-30-24)23-9-11-32(12-10-23)18-20-5-2-1-3-6-20/h1-8,17,23,35H,9-16,18-19H2
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n/an/a 83n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha by fluorescence polarization format assay


J Med Chem 53: 798-810 (2010)


Article DOI: 10.1021/jm9014982
BindingDB Entry DOI: 10.7270/Q2NZ87RZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (human))
BDBM50308783
PNG
(CHEMBL592063 | methyl 4-(3-(4-(3-ethyl-7-morpholin...)
Show SMILES CCn1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)C(=O)OC)cc1)N1CCOCC1
Show InChI InChI=1S/C25H26N8O4/c1-3-33-23-20(30-31-33)22(32-12-14-37-15-13-32)28-21(29-23)16-4-8-18(9-5-16)26-25(35)27-19-10-6-17(7-11-19)24(34)36-2/h4-11H,3,12-15H2,1-2H3,(H2,26,27,35)
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n/an/a 84.5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma by fluorescence polarization format assay


J Med Chem 53: 798-810 (2010)


Article DOI: 10.1021/jm9014982
BindingDB Entry DOI: 10.7270/Q2NZ87RZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50308792
PNG
((3-(3-(1-benzylpiperidin-4-yl)-7-morpholino-3H-[1,...)
Show SMILES OCc1cccc(c1)-c1nc(N2CCOCC2)c2nnn(C3CCN(Cc4ccccc4)CC3)c2n1
Show InChI InChI=1S/C27H31N7O2/c35-19-21-7-4-8-22(17-21)25-28-26(33-13-15-36-16-14-33)24-27(29-25)34(31-30-24)23-9-11-32(12-10-23)18-20-5-2-1-3-6-20/h1-8,17,23,35H,9-16,18-19H2
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n/an/a 250n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR by DELFIA


J Med Chem 53: 798-810 (2010)


Article DOI: 10.1021/jm9014982
BindingDB Entry DOI: 10.7270/Q2NZ87RZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (human))
BDBM50308792
PNG
((3-(3-(1-benzylpiperidin-4-yl)-7-morpholino-3H-[1,...)
Show SMILES OCc1cccc(c1)-c1nc(N2CCOCC2)c2nnn(C3CCN(Cc4ccccc4)CC3)c2n1
Show InChI InChI=1S/C27H31N7O2/c35-19-21-7-4-8-22(17-21)25-28-26(33-13-15-36-16-14-33)24-27(29-25)34(31-30-24)23-9-11-32(12-10-23)18-20-5-2-1-3-6-20/h1-8,17,23,35H,9-16,18-19H2
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n/an/a 435n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma by fluorescence polarization format assay


J Med Chem 53: 798-810 (2010)


Article DOI: 10.1021/jm9014982
BindingDB Entry DOI: 10.7270/Q2NZ87RZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


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



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR by DELFIA


J Med Chem 53: 798-810 (2010)


Article DOI: 10.1021/jm9014982
BindingDB Entry DOI: 10.7270/Q2NZ87RZ
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 human PI3Kgamma by fluorescence polarization format assay


J Med Chem 53: 798-810 (2010)


Article DOI: 10.1021/jm9014982
BindingDB Entry DOI: 10.7270/Q2NZ87RZ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%