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Patent code US8609666

Compile Data Set for Download or QSAR
Found 67 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))
BDBM109327
PNG
(US8609666, 47)
Show SMILES COCCN(C)c1cc(nc2c(nc(nc12)N1CCOCC1)-c1cccc(CO)c1)C(O)=O
Show InChI InChI=1S/C23H27N5O5/c1-27(6-9-32-2)18-13-17(22(30)31)24-21-19(16-5-3-4-15(12-16)14-29)25-23(26-20(18)21)28-7-10-33-11-8-28/h3-5,12-13,29H,6-11,14H2,1-2H3,(H,30,31)
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n/an/a 8n/an/an/an/an/an/a



Merck Serono SA

US Patent


Assay Description
The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...


US Patent US8609666 (2013)


BindingDB Entry DOI: 10.7270/Q26M35G5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM109313
PNG
(US8609666, 33)
Show SMILES COCCN(C)c1cc(nc2c(nc(nc12)N1CCOCC1)-c1cccc(F)c1O)C(O)=O
Show InChI InChI=1S/C22H24FN5O5/c1-27(6-9-32-2)16-12-15(21(30)31)24-19-17(13-4-3-5-14(23)20(13)29)25-22(26-18(16)19)28-7-10-33-11-8-28/h3-5,12,29H,6-11H2,1-2H3,(H,30,31)
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n/an/a 9n/an/an/an/an/an/a



Merck Serono SA

US Patent


Assay Description
The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...


US Patent US8609666 (2013)


BindingDB Entry DOI: 10.7270/Q26M35G5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM109317
PNG
(US8609666, 37)
Show SMILES CN(CCO)c1cc(nc2c(nc(nc12)N1CCOCC1)-c1cccc(F)c1O)C(O)=O
Show InChI InChI=1S/C21H22FN5O5/c1-26(5-8-28)15-11-14(20(30)31)23-18-16(12-3-2-4-13(22)19(12)29)24-21(25-17(15)18)27-6-9-32-10-7-27/h2-4,11,28-29H,5-10H2,1H3,(H,30,31)
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n/an/a 10n/an/an/an/an/an/a



Merck Serono SA

US Patent


Assay Description
The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...


US Patent US8609666 (2013)


BindingDB Entry DOI: 10.7270/Q26M35G5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM109314
PNG
(US8609666, 34)
Show SMILES CN(C)c1cc(nc2c(nc(nc12)N1CCOCC1)-c1cccc(F)c1O)C(O)=O
Show InChI InChI=1S/C20H20FN5O4/c1-25(2)14-10-13(19(28)29)22-17-15(11-4-3-5-12(21)18(11)27)23-20(24-16(14)17)26-6-8-30-9-7-26/h3-5,10,27H,6-9H2,1-2H3,(H,28,29)
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n/an/a 13n/an/an/an/an/an/a



Merck Serono SA

US Patent


Assay Description
The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...


US Patent US8609666 (2013)


BindingDB Entry DOI: 10.7270/Q26M35G5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM109341
PNG
(US8609666, 61)
Show SMILES CS(=O)(=O)N1CCN(CC1)c1cc(nc2c(nc(nc12)N1CCOCC1)-c1cccc(O)c1)C(O)=O
Show InChI InChI=1S/C23H26N6O6S/c1-36(33,34)29-7-5-27(6-8-29)18-14-17(22(31)32)24-21-19(15-3-2-4-16(30)13-15)25-23(26-20(18)21)28-9-11-35-12-10-28/h2-4,13-14,30H,5-12H2,1H3,(H,31,32)
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n/an/a 15n/an/an/an/an/an/a



Merck Serono SA

US Patent


Assay Description
The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...


US Patent US8609666 (2013)


BindingDB Entry DOI: 10.7270/Q26M35G5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM109336
PNG
(US8609666, 56)
Show SMILES CS(=O)(=O)c1cc(nc2c(nc(nc12)N1CCOCC1)-c1cc(O)cc(F)c1)C(O)=O
Show InChI InChI=1S/C19H17FN4O6S/c1-31(28,29)14-9-13(18(26)27)21-17-15(10-6-11(20)8-12(25)7-10)22-19(23-16(14)17)24-2-4-30-5-3-24/h6-9,25H,2-5H2,1H3,(H,26,27)
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n/an/a 15n/an/an/an/an/an/a



Merck Serono SA

US Patent


Assay Description
The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...


US Patent US8609666 (2013)


BindingDB Entry DOI: 10.7270/Q26M35G5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM109316
PNG
(US8609666, 36)
Show SMILES COCCNc1cc(nc2c(nc(nc12)N1CCOCC1)-c1cccc(F)c1O)C(O)=O
Show InChI InChI=1S/C21H22FN5O5/c1-31-8-5-23-14-11-15(20(29)30)24-18-16(12-3-2-4-13(22)19(12)28)25-21(26-17(14)18)27-6-9-32-10-7-27/h2-4,11,28H,5-10H2,1H3,(H,23,24)(H,29,30)
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n/an/a 18n/an/an/an/an/an/a



Merck Serono SA

US Patent


Assay Description
The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...


US Patent US8609666 (2013)


BindingDB Entry DOI: 10.7270/Q26M35G5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM109294
PNG
(US8609666, 14)
Show SMILES COCCN(C)c1cc(nc2c(nc(nc12)N1CCOCC1)-c1cc(O)cc(F)c1)C(O)=O
Show InChI InChI=1S/C22H24FN5O5/c1-27(3-6-32-2)17-12-16(21(30)31)24-20-18(13-9-14(23)11-15(29)10-13)25-22(26-19(17)20)28-4-7-33-8-5-28/h9-12,29H,3-8H2,1-2H3,(H,30,31)
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n/an/a 19n/an/an/an/an/an/a



Merck Serono SA

US Patent


Assay Description
The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...


US Patent US8609666 (2013)


BindingDB Entry DOI: 10.7270/Q26M35G5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM109322
PNG
(US8609666, 42)
Show SMILES CN(C)c1cc(nc2c(nc(nc12)N1CCOCC1)-c1ccccc1O)C(O)=O
Show InChI InChI=1S/C20H21N5O4/c1-24(2)14-11-13(19(27)28)21-18-16(12-5-3-4-6-15(12)26)22-20(23-17(14)18)25-7-9-29-10-8-25/h3-6,11,26H,7-10H2,1-2H3,(H,27,28)
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n/an/a 23n/an/an/an/an/an/a



Merck Serono SA

US Patent


Assay Description
The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...


US Patent US8609666 (2013)


BindingDB Entry DOI: 10.7270/Q26M35G5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM109293
PNG
(US8609666, 13)
Show SMILES COc1ccccc1-c1cc(nc2c(nc(nc12)N1CCOCC1)-c1cccc(O)c1)C(O)=O
Show InChI InChI=1S/C25H22N4O5/c1-33-20-8-3-2-7-17(20)18-14-19(24(31)32)26-23-21(15-5-4-6-16(30)13-15)27-25(28-22(18)23)29-9-11-34-12-10-29/h2-8,13-14,30H,9-12H2,1H3,(H,31,32)
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n/an/a 24n/an/an/an/an/an/a



Merck Serono SA

US Patent


Assay Description
The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...


US Patent US8609666 (2013)


BindingDB Entry DOI: 10.7270/Q26M35G5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM109319
PNG
(US8609666, 39)
Show SMILES CS(=O)(=O)c1cc(nc2c(nc(nc12)N1CCOCC1)-c1cccc(F)c1O)C(O)=O
Show InChI InChI=1S/C19H17FN4O6S/c1-31(28,29)13-9-12(18(26)27)21-16-14(10-3-2-4-11(20)17(10)25)22-19(23-15(13)16)24-5-7-30-8-6-24/h2-4,9,25H,5-8H2,1H3,(H,26,27)
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n/an/a 26n/an/an/an/an/an/a



Merck Serono SA

US Patent


Assay Description
The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...


US Patent US8609666 (2013)


BindingDB Entry DOI: 10.7270/Q26M35G5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM109328
PNG
(US8609666, 48)
Show SMILES OCCNc1cc(nc2c(nc(nc12)N1CCOCC1)-c1cccc(CO)c1)C(O)=O
Show InChI InChI=1S/C21H23N5O5/c27-7-4-22-15-11-16(20(29)30)23-19-17(14-3-1-2-13(10-14)12-28)24-21(25-18(15)19)26-5-8-31-9-6-26/h1-3,10-11,27-28H,4-9,12H2,(H,22,23)(H,29,30)
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n/an/a 27n/an/an/an/an/an/a



Merck Serono SA

US Patent


Assay Description
The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...


US Patent US8609666 (2013)


BindingDB Entry DOI: 10.7270/Q26M35G5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM109290
PNG
(US8609666, 10)
Show SMILES COCCN(C)c1cc(nc2c(nc(nc12)N1CCOCC1)-c1cccc(O)c1)C(O)=O
Show InChI InChI=1S/C22H25N5O5/c1-26(6-9-31-2)17-13-16(21(29)30)23-20-18(14-4-3-5-15(28)12-14)24-22(25-19(17)20)27-7-10-32-11-8-27/h3-5,12-13,28H,6-11H2,1-2H3,(H,29,30)
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n/an/a 28n/an/an/an/an/an/a



Merck Serono SA

US Patent


Assay Description
The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...


US Patent US8609666 (2013)


BindingDB Entry DOI: 10.7270/Q26M35G5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM109347
PNG
(US8609666, 67)
Show SMILES CS(=O)(=O)N1CCN(CC1)c1cc(nc2c(nc(nc12)N1CCOCC1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C23H26N6O5S/c1-35(32,33)29-9-7-27(8-10-29)18-15-17(22(30)31)24-21-19(16-5-3-2-4-6-16)25-23(26-20(18)21)28-11-13-34-14-12-28/h2-6,15H,7-14H2,1H3,(H,30,31)
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n/an/a 30n/an/an/an/an/an/a



Merck Serono SA

US Patent


Assay Description
The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...


US Patent US8609666 (2013)


BindingDB Entry DOI: 10.7270/Q26M35G5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM109303
PNG
(US8609666, 23)
Show SMILES CN(C)c1cc(nc2c(nc(nc12)N1CCOCC1)-c1cccc(CO)c1)C(O)=O
Show InChI InChI=1S/C21H23N5O4/c1-25(2)16-11-15(20(28)29)22-19-17(14-5-3-4-13(10-14)12-27)23-21(24-18(16)19)26-6-8-30-9-7-26/h3-5,10-11,27H,6-9,12H2,1-2H3,(H,28,29)
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n/an/a 34n/an/an/an/an/an/a



Merck Serono SA

US Patent


Assay Description
The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...


US Patent US8609666 (2013)


BindingDB Entry DOI: 10.7270/Q26M35G5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM109318
PNG
(US8609666, 38)
Show SMILES OCCNc1cc(nc2c(nc(nc12)N1CCOCC1)-c1cccc(F)c1O)C(O)=O
Show InChI InChI=1S/C20H20FN5O5/c21-12-3-1-2-11(18(12)28)15-17-16(25-20(24-15)26-5-8-31-9-6-26)13(22-4-7-27)10-14(23-17)19(29)30/h1-3,10,27-28H,4-9H2,(H,22,23)(H,29,30)
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n/an/a 43n/an/an/an/an/an/a



Merck Serono SA

US Patent


Assay Description
The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...


US Patent US8609666 (2013)


BindingDB Entry DOI: 10.7270/Q26M35G5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM109315
PNG
(US8609666, 35)
Show SMILES CNc1cc(nc2c(nc(nc12)N1CCOCC1)-c1cccc(F)c1O)C(O)=O
Show InChI InChI=1S/C19H18FN5O4/c1-21-12-9-13(18(27)28)22-16-14(10-3-2-4-11(20)17(10)26)23-19(24-15(12)16)25-5-7-29-8-6-25/h2-4,9,26H,5-8H2,1H3,(H,21,22)(H,27,28)
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n/an/a 48n/an/an/an/an/an/a



Merck Serono SA

US Patent


Assay Description
The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...


US Patent US8609666 (2013)


BindingDB Entry DOI: 10.7270/Q26M35G5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM109343
PNG
(US8609666, 63)
Show SMILES OC(=O)c1cc(-c2cccc3ccccc23)c2nc(nc(-c3cccc(O)c3)c2n1)N1CCOCC1
Show InChI InChI=1S/C28H22N4O4/c33-19-8-3-7-18(15-19)24-26-25(31-28(30-24)32-11-13-36-14-12-32)22(16-23(29-26)27(34)35)21-10-4-6-17-5-1-2-9-20(17)21/h1-10,15-16,33H,11-14H2,(H,34,35)
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n/an/a 57n/an/an/an/an/an/a



Merck Serono SA

US Patent


Assay Description
The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...


US Patent US8609666 (2013)


BindingDB Entry DOI: 10.7270/Q26M35G5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM109331
PNG
(US8609666, 51)
Show SMILES COCCN(C)c1cc(nc2c(nc(nc12)N1CCOCC1)-c1ccc(F)cc1O)C(O)=O
Show InChI InChI=1S/C22H24FN5O5/c1-27(5-8-32-2)16-12-15(21(30)31)24-20-18(14-4-3-13(23)11-17(14)29)25-22(26-19(16)20)28-6-9-33-10-7-28/h3-4,11-12,29H,5-10H2,1-2H3,(H,30,31)
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n/an/a 62n/an/an/an/an/an/a



Merck Serono SA

US Patent


Assay Description
The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...


US Patent US8609666 (2013)


BindingDB Entry DOI: 10.7270/Q26M35G5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM109321
PNG
(US8609666, 41)
Show SMILES OC(=O)c1ccc2nc(nc(-c3cccc(O)c3)c2n1)N1CCOCC1
Show InChI InChI=1S/C18H16N4O4/c23-12-3-1-2-11(10-12)15-16-13(4-5-14(19-16)17(24)25)20-18(21-15)22-6-8-26-9-7-22/h1-5,10,23H,6-9H2,(H,24,25)
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n/an/a 63n/an/an/an/an/an/a



Merck Serono SA

US Patent


Assay Description
The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...


US Patent US8609666 (2013)


BindingDB Entry DOI: 10.7270/Q26M35G5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM109296
PNG
(US8609666, 16)
Show SMILES OCCNc1cc(nc2c(nc(nc12)N1CCOCC1)-c1cc(O)cc(F)c1)C(O)=O
Show InChI InChI=1S/C20H20FN5O5/c21-12-7-11(8-13(28)9-12)16-18-17(25-20(24-16)26-2-5-31-6-3-26)14(22-1-4-27)10-15(23-18)19(29)30/h7-10,27-28H,1-6H2,(H,22,23)(H,29,30)
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n/an/a 64n/an/an/an/an/an/a



Merck Serono SA

US Patent


Assay Description
The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...


US Patent US8609666 (2013)


BindingDB Entry DOI: 10.7270/Q26M35G5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM109309
PNG
(US8609666, 29)
Show SMILES CN(C)c1cc(nc2c(nc(nc12)N1CCOCC1)-c1cc(F)ccc1O)C(O)=O
Show InChI InChI=1S/C20H20FN5O4/c1-25(2)14-10-13(19(28)29)22-18-16(12-9-11(21)3-4-15(12)27)23-20(24-17(14)18)26-5-7-30-8-6-26/h3-4,9-10,27H,5-8H2,1-2H3,(H,28,29)
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n/an/a 66n/an/an/an/an/an/a



Merck Serono SA

US Patent


Assay Description
The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...


US Patent US8609666 (2013)


BindingDB Entry DOI: 10.7270/Q26M35G5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM109311
PNG
(US8609666, 31)
Show SMILES COCCNc1cc(nc2c(nc(nc12)N1CCOCC1)-c1cc(F)ccc1O)C(O)=O
Show InChI InChI=1S/C21H22FN5O5/c1-31-7-4-23-14-11-15(20(29)30)24-19-17(13-10-12(22)2-3-16(13)28)25-21(26-18(14)19)27-5-8-32-9-6-27/h2-3,10-11,28H,4-9H2,1H3,(H,23,24)(H,29,30)
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n/an/a 73n/an/an/an/an/an/a



Merck Serono SA

US Patent


Assay Description
The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...


US Patent US8609666 (2013)


BindingDB Entry DOI: 10.7270/Q26M35G5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM109304
PNG
(US8609666, 24)
Show SMILES CN(CCO)c1cc(nc2c(nc(nc12)N1CCOCC1)-c1cccc(CO)c1)C(O)=O
Show InChI InChI=1S/C22H25N5O5/c1-26(5-8-28)17-12-16(21(30)31)23-20-18(15-4-2-3-14(11-15)13-29)24-22(25-19(17)20)27-6-9-32-10-7-27/h2-4,11-12,28-29H,5-10,13H2,1H3,(H,30,31)
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n/an/a 74n/an/an/an/an/an/a



Merck Serono SA

US Patent


Assay Description
The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...


US Patent US8609666 (2013)


BindingDB Entry DOI: 10.7270/Q26M35G5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM109292
PNG
(US8609666, 12)
Show SMILES OCCNc1cc(nc2c(nc(nc12)N1CCOCC1)-c1cccc(O)c1)C(O)=O
Show InChI InChI=1S/C20H21N5O5/c26-7-4-21-14-11-15(19(28)29)22-18-16(12-2-1-3-13(27)10-12)23-20(24-17(14)18)25-5-8-30-9-6-25/h1-3,10-11,26-27H,4-9H2,(H,21,22)(H,28,29)
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n/an/a 75n/an/an/an/an/an/a



Merck Serono SA

US Patent


Assay Description
The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...


US Patent US8609666 (2013)


BindingDB Entry DOI: 10.7270/Q26M35G5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM109300
PNG
(US8609666, 20)
Show SMILES CN(CCO)c1cc(nc2c(nc(nc12)N1CCOCC1)-c1cccc2[nH]ccc12)C(O)=O
Show InChI InChI=1S/C23H24N6O4/c1-28(7-10-30)18-13-17(22(31)32)25-21-19(15-3-2-4-16-14(15)5-6-24-16)26-23(27-20(18)21)29-8-11-33-12-9-29/h2-6,13,24,30H,7-12H2,1H3,(H,31,32)
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n/an/a 77n/an/an/an/an/an/a



Merck Serono SA

US Patent


Assay Description
The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...


US Patent US8609666 (2013)


BindingDB Entry DOI: 10.7270/Q26M35G5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM109340
PNG
(US8609666, 60)
Show SMILES CC(=O)N1CCN(CC1)c1cc(nc2c(nc(nc12)N1CCOCC1)-c1cccc(O)c1)C(O)=O
Show InChI InChI=1S/C24H26N6O5/c1-15(31)28-5-7-29(8-6-28)19-14-18(23(33)34)25-22-20(16-3-2-4-17(32)13-16)26-24(27-21(19)22)30-9-11-35-12-10-30/h2-4,13-14,32H,5-12H2,1H3,(H,33,34)
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n/an/a 80n/an/an/an/an/an/a



Merck Serono SA

US Patent


Assay Description
The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...


US Patent US8609666 (2013)


BindingDB Entry DOI: 10.7270/Q26M35G5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM109324
PNG
(US8609666, 44)
Show SMILES OCCNc1cc(nc2c(nc(nc12)N1CCOCC1)-c1ccccc1O)C(O)=O
Show InChI InChI=1S/C20H21N5O5/c26-8-5-21-13-11-14(19(28)29)22-18-16(12-3-1-2-4-15(12)27)23-20(24-17(13)18)25-6-9-30-10-7-25/h1-4,11,26-27H,5-10H2,(H,21,22)(H,28,29)
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n/an/a 82n/an/an/an/an/an/a



Merck Serono SA

US Patent


Assay Description
The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...


US Patent US8609666 (2013)


BindingDB Entry DOI: 10.7270/Q26M35G5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM109332
PNG
(US8609666, 52)
Show SMILES CN(C)c1cc(nc2c(nc(nc12)N1CCOCC1)-c1ccc(F)cc1O)C(O)=O
Show InChI InChI=1S/C20H20FN5O4/c1-25(2)14-10-13(19(28)29)22-18-16(12-4-3-11(21)9-15(12)27)23-20(24-17(14)18)26-5-7-30-8-6-26/h3-4,9-10,27H,5-8H2,1-2H3,(H,28,29)
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n/an/a 83n/an/an/an/an/an/a



Merck Serono SA

US Patent


Assay Description
The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...


US Patent US8609666 (2013)


BindingDB Entry DOI: 10.7270/Q26M35G5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM109334
PNG
(US8609666, 54)
Show SMILES COCCNc1cc(nc2c(nc(nc12)N1CCOCC1)-c1ccc(F)cc1O)C(O)=O
Show InChI InChI=1S/C21H22FN5O5/c1-31-7-4-23-14-11-15(20(29)30)24-19-17(13-3-2-12(22)10-16(13)28)25-21(26-18(14)19)27-5-8-32-9-6-27/h2-3,10-11,28H,4-9H2,1H3,(H,23,24)(H,29,30)
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n/an/a 89n/an/an/an/an/an/a



Merck Serono SA

US Patent


Assay Description
The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...


US Patent US8609666 (2013)


BindingDB Entry DOI: 10.7270/Q26M35G5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM109295
PNG
(US8609666, 15)
Show SMILES COCCOc1cc(nc2c(nc(nc12)N1CCOCC1)-c1cc(O)cc(F)c1)C(O)=O
Show InChI InChI=1S/C21H21FN4O6/c1-30-6-7-32-16-11-15(20(28)29)23-19-17(12-8-13(22)10-14(27)9-12)24-21(25-18(16)19)26-2-4-31-5-3-26/h8-11,27H,2-7H2,1H3,(H,28,29)
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n/an/a 93n/an/an/an/an/an/a



Merck Serono SA

US Patent


Assay Description
The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...


US Patent US8609666 (2013)


BindingDB Entry DOI: 10.7270/Q26M35G5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM109289
PNG
(US8609666, 9)
Show SMILES OC(=O)c1cc(Cl)c2nc(nc(-c3cccc(O)c3)c2n1)N1CCOCC1
Show InChI InChI=1S/C18H15ClN4O4/c19-12-9-13(17(25)26)20-16-14(10-2-1-3-11(24)8-10)21-18(22-15(12)16)23-4-6-27-7-5-23/h1-3,8-9,24H,4-7H2,(H,25,26)
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n/an/a 108n/an/an/an/an/an/a



Merck Serono SA

US Patent


Assay Description
The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...


US Patent US8609666 (2013)


BindingDB Entry DOI: 10.7270/Q26M35G5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM109299
PNG
(US8609666, 19)
Show SMILES COCCNc1cc(nc2c(nc(nc12)N1CCOCC1)-c1cccc2[nH]ccc12)C(O)=O
Show InChI InChI=1S/C23H24N6O4/c1-32-10-7-25-17-13-18(22(30)31)26-21-19(15-3-2-4-16-14(15)5-6-24-16)27-23(28-20(17)21)29-8-11-33-12-9-29/h2-6,13,24H,7-12H2,1H3,(H,25,26)(H,30,31)
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n/an/a 128n/an/an/an/an/an/a



Merck Serono SA

US Patent


Assay Description
The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...


US Patent US8609666 (2013)


BindingDB Entry DOI: 10.7270/Q26M35G5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM109297
PNG
(US8609666, 17)
Show SMILES CN(C)c1cc(nc2c(nc(nc12)N1CCOCC1)-c1cccc2[nH]ccc12)C(O)=O
Show InChI InChI=1S/C22H22N6O3/c1-27(2)17-12-16(21(29)30)24-20-18(14-4-3-5-15-13(14)6-7-23-15)25-22(26-19(17)20)28-8-10-31-11-9-28/h3-7,12,23H,8-11H2,1-2H3,(H,29,30)
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n/an/a 132n/an/an/an/an/an/a



Merck Serono SA

US Patent


Assay Description
The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...


US Patent US8609666 (2013)


BindingDB Entry DOI: 10.7270/Q26M35G5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM109337
PNG
(US8609666, 57)
Show SMILES CN(C)CCN(C)c1cc(nc2c(nc(nc12)N1CCOCC1)-c1cccc2[nH]ccc12)C(O)=O
Show InChI InChI=1S/C25H29N7O3/c1-30(2)9-10-31(3)20-15-19(24(33)34)27-23-21(17-5-4-6-18-16(17)7-8-26-18)28-25(29-22(20)23)32-11-13-35-14-12-32/h4-8,15,26H,9-14H2,1-3H3,(H,33,34)
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n/an/a 137n/an/an/an/an/an/a



Merck Serono SA

US Patent


Assay Description
The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...


US Patent US8609666 (2013)


BindingDB Entry DOI: 10.7270/Q26M35G5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM109335
PNG
(US8609666, 55)
Show SMILES CS(=O)(=O)c1cc(nc2c(nc(nc12)N1CCOCC1)-c1cc(F)ccc1O)C(O)=O
Show InChI InChI=1S/C19H17FN4O6S/c1-31(28,29)14-9-12(18(26)27)21-17-15(11-8-10(20)2-3-13(11)25)22-19(23-16(14)17)24-4-6-30-7-5-24/h2-3,8-9,25H,4-7H2,1H3,(H,26,27)
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n/an/a 139n/an/an/an/an/an/a



Merck Serono SA

US Patent


Assay Description
The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...


US Patent US8609666 (2013)


BindingDB Entry DOI: 10.7270/Q26M35G5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM109320
PNG
(US8609666, 40)
Show SMILES CNc1cc(nc2c(nc(nc12)N1CCOCC1)-c1cccc(O)c1)C(O)=O
Show InChI InChI=1S/C19H19N5O4/c1-20-13-10-14(18(26)27)21-17-15(11-3-2-4-12(25)9-11)22-19(23-16(13)17)24-5-7-28-8-6-24/h2-4,9-10,25H,5-8H2,1H3,(H,20,21)(H,26,27)
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n/an/a 144n/an/an/an/an/an/a



Merck Serono SA

US Patent


Assay Description
The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...


US Patent US8609666 (2013)


BindingDB Entry DOI: 10.7270/Q26M35G5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM109301
PNG
(US8609666, 21)
Show SMILES COCCN(C)c1cc(nc2c(nc(nc12)N1CCOCC1)-c1ccc2[nH]ccc2c1)C(O)=O
Show InChI InChI=1S/C24H26N6O4/c1-29(7-10-33-2)19-14-18(23(31)32)26-22-20(16-3-4-17-15(13-16)5-6-25-17)27-24(28-21(19)22)30-8-11-34-12-9-30/h3-6,13-14,25H,7-12H2,1-2H3,(H,31,32)
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n/an/a 169n/an/an/an/an/an/a



Merck Serono SA

US Patent


Assay Description
The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...


US Patent US8609666 (2013)


BindingDB Entry DOI: 10.7270/Q26M35G5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM109339
PNG
(US8609666, 59)
Show SMILES CN(CCO)c1cc(nc2c(nc(nc12)N1CCOCC1)-c1ccc(F)cc1O)C(O)=O
Show InChI InChI=1S/C21H22FN5O5/c1-26(4-7-28)15-11-14(20(30)31)23-19-17(13-3-2-12(22)10-16(13)29)24-21(25-18(15)19)27-5-8-32-9-6-27/h2-3,10-11,28-29H,4-9H2,1H3,(H,30,31)
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n/an/a 220n/an/an/an/an/an/a



Merck Serono SA

US Patent


Assay Description
The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...


US Patent US8609666 (2013)


BindingDB Entry DOI: 10.7270/Q26M35G5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM109342
PNG
(US8609666, 62)
Show SMILES Cc1cc(nc2c(nc(nc12)N1CCOCC1)-c1cccc(O)c1)C(O)=O
Show InChI InChI=1S/C19H18N4O4/c1-11-9-14(18(25)26)20-17-15(11)21-19(23-5-7-27-8-6-23)22-16(17)12-3-2-4-13(24)10-12/h2-4,9-10,24H,5-8H2,1H3,(H,25,26)
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n/an/a 225n/an/an/an/an/an/a



Merck Serono SA

US Patent


Assay Description
The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...


US Patent US8609666 (2013)


BindingDB Entry DOI: 10.7270/Q26M35G5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM109291
PNG
(US8609666, 11)
Show SMILES COCCOc1cc(nc2c(nc(nc12)N1CCOCC1)-c1cccc(O)c1)C(O)=O
Show InChI InChI=1S/C21H22N4O6/c1-29-9-10-31-16-12-15(20(27)28)22-19-17(13-3-2-4-14(26)11-13)23-21(24-18(16)19)25-5-7-30-8-6-25/h2-4,11-12,26H,5-10H2,1H3,(H,27,28)
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n/an/a 255n/an/an/an/an/an/a



Merck Serono SA

US Patent


Assay Description
The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...


US Patent US8609666 (2013)


BindingDB Entry DOI: 10.7270/Q26M35G5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM109283
PNG
(US8609666, 3)
Show SMILES COCCN(C)c1cc(nc2c(nc(nc12)N1CCOCC1)-c1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C22H25N5O5/c1-26(7-10-31-2)17-13-16(21(29)30)23-20-18(14-3-5-15(28)6-4-14)24-22(25-19(17)20)27-8-11-32-12-9-27/h3-6,13,28H,7-12H2,1-2H3,(H,29,30)
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n/an/a 290n/an/an/an/an/an/a



Merck Serono SA

US Patent


Assay Description
The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...


US Patent US8609666 (2013)


BindingDB Entry DOI: 10.7270/Q26M35G5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM109330
PNG
(US8609666, 50)
Show SMILES CN(CCO)c1cc(nc2c(nc(nc12)N1CCOCC1)-c1ccc(F)c(CO)c1)C(O)=O
Show InChI InChI=1S/C22H24FN5O5/c1-27(4-7-29)17-11-16(21(31)32)24-20-18(13-2-3-15(23)14(10-13)12-30)25-22(26-19(17)20)28-5-8-33-9-6-28/h2-3,10-11,29-30H,4-9,12H2,1H3,(H,31,32)
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n/an/a 303n/an/an/an/an/an/a



Merck Serono SA

US Patent


Assay Description
The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...


US Patent US8609666 (2013)


BindingDB Entry DOI: 10.7270/Q26M35G5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM109310
PNG
(US8609666, 30)
Show SMILES CNc1cc(nc2c(nc(nc12)N1CCOCC1)-c1cc(F)ccc1O)C(O)=O
Show InChI InChI=1S/C19H18FN5O4/c1-21-12-9-13(18(27)28)22-17-15(11-8-10(20)2-3-14(11)26)23-19(24-16(12)17)25-4-6-29-7-5-25/h2-3,8-9,26H,4-7H2,1H3,(H,21,22)(H,27,28)
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n/an/a 304n/an/an/an/an/an/a



Merck Serono SA

US Patent


Assay Description
The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...


US Patent US8609666 (2013)


BindingDB Entry DOI: 10.7270/Q26M35G5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM109329
PNG
(US8609666, 49)
Show SMILES CN(C)c1cc(nc2c(nc(nc12)N1CCOCC1)-c1ccc(F)c(CO)c1)C(O)=O
Show InChI InChI=1S/C21H22FN5O4/c1-26(2)16-10-15(20(29)30)23-19-17(12-3-4-14(22)13(9-12)11-28)24-21(25-18(16)19)27-5-7-31-8-6-27/h3-4,9-10,28H,5-8,11H2,1-2H3,(H,29,30)
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n/an/a 329n/an/an/an/an/an/a



Merck Serono SA

US Patent


Assay Description
The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...


US Patent US8609666 (2013)


BindingDB Entry DOI: 10.7270/Q26M35G5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM109325
PNG
(US8609666, 45)
Show SMILES CS(=O)(=O)c1cc(nc2c(nc(nc12)N1CCOCC1)-c1ccc(O)c(F)c1)C(O)=O
Show InChI InChI=1S/C19H17FN4O6S/c1-31(28,29)14-9-12(18(26)27)21-17-15(10-2-3-13(25)11(20)8-10)22-19(23-16(14)17)24-4-6-30-7-5-24/h2-3,8-9,25H,4-7H2,1H3,(H,26,27)
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n/an/a 335n/an/an/an/an/an/a



Merck Serono SA

US Patent


Assay Description
The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...


US Patent US8609666 (2013)


BindingDB Entry DOI: 10.7270/Q26M35G5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM109326
PNG
(US8609666, 46)
Show SMILES COCCNc1cc(nc2c(nc(nc12)N1CCOCC1)-c1ccc(CO)cc1)C(O)=O
Show InChI InChI=1S/C22H25N5O5/c1-31-9-6-23-16-12-17(21(29)30)24-20-18(15-4-2-14(13-28)3-5-15)25-22(26-19(16)20)27-7-10-32-11-8-27/h2-5,12,28H,6-11,13H2,1H3,(H,23,24)(H,29,30)
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n/an/a 346n/an/an/an/an/an/a



Merck Serono SA

US Patent


Assay Description
The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...


US Patent US8609666 (2013)


BindingDB Entry DOI: 10.7270/Q26M35G5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM109284
PNG
(US8609666, 4)
Show SMILES CN(C)c1cc(nc2c(nc(nc12)N1CCOCC1)-c1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C20H21N5O4/c1-24(2)15-11-14(19(27)28)21-18-16(12-3-5-13(26)6-4-12)22-20(23-17(15)18)25-7-9-29-10-8-25/h3-6,11,26H,7-10H2,1-2H3,(H,27,28)
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n/an/a 350n/an/an/an/an/an/a



Merck Serono SA

US Patent


Assay Description
The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...


US Patent US8609666 (2013)


BindingDB Entry DOI: 10.7270/Q26M35G5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM109333
PNG
(US8609666, 53)
Show SMILES CNc1cc(nc2c(nc(nc12)N1CCOCC1)-c1ccc(F)cc1O)C(O)=O
Show InChI InChI=1S/C19H18FN5O4/c1-21-12-9-13(18(27)28)22-17-15(11-3-2-10(20)8-14(11)26)23-19(24-16(12)17)25-4-6-29-7-5-25/h2-3,8-9,26H,4-7H2,1H3,(H,21,22)(H,27,28)
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n/an/a 412n/an/an/an/an/an/a



Merck Serono SA

US Patent


Assay Description
The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...


US Patent US8609666 (2013)


BindingDB Entry DOI: 10.7270/Q26M35G5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM109323
PNG
(US8609666, 43)
Show SMILES CN(C)CCN(C)c1cc(nc2c(nc(nc12)N1CCOCC1)-c1ccccc1O)C(O)=O
Show InChI InChI=1S/C23H28N6O4/c1-27(2)8-9-28(3)17-14-16(22(31)32)24-21-19(15-6-4-5-7-18(15)30)25-23(26-20(17)21)29-10-12-33-13-11-29/h4-7,14,30H,8-13H2,1-3H3,(H,31,32)
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n/an/a 459n/an/an/an/an/an/a



Merck Serono SA

US Patent


Assay Description
The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...


US Patent US8609666 (2013)


BindingDB Entry DOI: 10.7270/Q26M35G5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM109285
PNG
(US8609666, 5)
Show SMILES COCCNc1cc(nc2c(nc(nc12)N1CCOCC1)-c1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C21H23N5O5/c1-30-9-6-22-15-12-16(20(28)29)23-19-17(13-2-4-14(27)5-3-13)24-21(25-18(15)19)26-7-10-31-11-8-26/h2-5,12,27H,6-11H2,1H3,(H,22,23)(H,28,29)
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n/an/a 504n/an/an/an/an/an/a



Merck Serono SA

US Patent


Assay Description
The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...


US Patent US8609666 (2013)


BindingDB Entry DOI: 10.7270/Q26M35G5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM109302
PNG
(US8609666, 22)
Show SMILES COCCN(C)c1cc(nc2c(nc(nc12)N1CCOCC1)-c1ccc(CO)cc1)C(O)=O
Show InChI InChI=1S/C23H27N5O5/c1-27(7-10-32-2)18-13-17(22(30)31)24-21-19(16-5-3-15(14-29)4-6-16)25-23(26-20(18)21)28-8-11-33-12-9-28/h3-6,13,29H,7-12,14H2,1-2H3,(H,30,31)
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n/an/a 546n/an/an/an/an/an/a



Merck Serono SA

US Patent


Assay Description
The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...


US Patent US8609666 (2013)


BindingDB Entry DOI: 10.7270/Q26M35G5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM109312
PNG
(US8609666, 32)
Show SMILES CN(C)CCN(C)c1cc(nc2c(nc(nc12)N1CCOCC1)-c1cc(F)ccc1O)C(O)=O
Show InChI InChI=1S/C23H27FN6O4/c1-28(2)6-7-29(3)17-13-16(22(32)33)25-21-19(15-12-14(24)4-5-18(15)31)26-23(27-20(17)21)30-8-10-34-11-9-30/h4-5,12-13,31H,6-11H2,1-3H3,(H,32,33)
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n/an/a 564n/an/an/an/an/an/a



Merck Serono SA

US Patent


Assay Description
The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...


US Patent US8609666 (2013)


BindingDB Entry DOI: 10.7270/Q26M35G5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM109344
PNG
(US8609666, 64)
Show SMILES OC(=O)c1cc(Cl)c2nc(nc(-c3ccccc3)c2n1)N1CCOCC1
Show InChI InChI=1S/C18H15ClN4O3/c19-12-10-13(17(24)25)20-16-14(11-4-2-1-3-5-11)21-18(22-15(12)16)23-6-8-26-9-7-23/h1-5,10H,6-9H2,(H,24,25)
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n/an/a 678n/an/an/an/an/an/a



Merck Serono SA

US Patent


Assay Description
The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...


US Patent US8609666 (2013)


BindingDB Entry DOI: 10.7270/Q26M35G5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM109287
PNG
(US8609666, 7)
Show SMILES OCCNc1cc(nc2c(nc(nc12)N1CCOCC1)-c1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C20H21N5O5/c26-8-5-21-14-11-15(19(28)29)22-18-16(12-1-3-13(27)4-2-12)23-20(24-17(14)18)25-6-9-30-10-7-25/h1-4,11,26-27H,5-10H2,(H,21,22)(H,28,29)
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n/an/a 732n/an/an/an/an/an/a



Merck Serono SA

US Patent


Assay Description
The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...


US Patent US8609666 (2013)


BindingDB Entry DOI: 10.7270/Q26M35G5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM109298
PNG
(US8609666, 18)
Show SMILES CNc1cc(nc2c(nc(nc12)N1CCOCC1)-c1cccc2[nH]ccc12)C(O)=O
Show InChI InChI=1S/C21H20N6O3/c1-22-15-11-16(20(28)29)24-19-17(13-3-2-4-14-12(13)5-6-23-14)25-21(26-18(15)19)27-7-9-30-10-8-27/h2-6,11,23H,7-10H2,1H3,(H,22,24)(H,28,29)
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n/an/a 780n/an/an/an/an/an/a



Merck Serono SA

US Patent


Assay Description
The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...


US Patent US8609666 (2013)


BindingDB Entry DOI: 10.7270/Q26M35G5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM109288
PNG
(US8609666, 8)
Show SMILES OC(=O)c1ccc2nc(nc(-c3ccc(O)cc3)c2n1)N1CCOCC1
Show InChI InChI=1S/C18H16N4O4/c23-12-3-1-11(2-4-12)15-16-13(5-6-14(19-16)17(24)25)20-18(21-15)22-7-9-26-10-8-22/h1-6,23H,7-10H2,(H,24,25)
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n/an/a 855n/an/an/an/an/an/a



Merck Serono SA

US Patent


Assay Description
The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...


US Patent US8609666 (2013)


BindingDB Entry DOI: 10.7270/Q26M35G5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM109338
PNG
(US8609666, 58)
Show SMILES CN(CCO)c1cc(nc2c(nc(nc12)N1CCOCC1)-c1ccc(O)cc1C)C(O)=O
Show InChI InChI=1S/C22H25N5O5/c1-13-11-14(29)3-4-15(13)18-20-19(25-22(24-18)27-6-9-32-10-7-27)17(26(2)5-8-28)12-16(23-20)21(30)31/h3-4,11-12,28-29H,5-10H2,1-2H3,(H,30,31)
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n/an/a 936n/an/an/an/an/an/a



Merck Serono SA

US Patent


Assay Description
The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...


US Patent US8609666 (2013)


BindingDB Entry DOI: 10.7270/Q26M35G5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM109281
PNG
(US8609666, 1)
Show SMILES COc1cccc(c1)-c1nc(nc2c(Cl)cc(nc12)C(O)=O)N1CCOCC1
Show InChI InChI=1S/C19H17ClN4O4/c1-27-12-4-2-3-11(9-12)15-17-16(13(20)10-14(21-17)18(25)26)23-19(22-15)24-5-7-28-8-6-24/h2-4,9-10H,5-8H2,1H3,(H,25,26)
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n/an/a 1.08E+3n/an/an/an/an/an/a



Merck Serono SA

US Patent


Assay Description
The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...


US Patent US8609666 (2013)


BindingDB Entry DOI: 10.7270/Q26M35G5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM109346
PNG
(US8609666, 66)
Show SMILES CN(C)c1cc(nc2c(nc(nc12)N1CCOCC1)-c1cccc(c1)C#N)C(O)=O
Show InChI InChI=1S/C21H20N6O3/c1-26(2)16-11-15(20(28)29)23-19-17(14-5-3-4-13(10-14)12-22)24-21(25-18(16)19)27-6-8-30-9-7-27/h3-5,10-11H,6-9H2,1-2H3,(H,28,29)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Merck Serono SA

US Patent


Assay Description
The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...


US Patent US8609666 (2013)


BindingDB Entry DOI: 10.7270/Q26M35G5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM109345
PNG
(US8609666, 65)
Show SMILES COCCN(C)c1cc(nc2c(nc(nc12)N1CCOCC1)-c1cc(F)cc(F)c1)C(O)=O
Show InChI InChI=1S/C22H23F2N5O4/c1-28(3-6-32-2)17-12-16(21(30)31)25-20-18(13-9-14(23)11-15(24)10-13)26-22(27-19(17)20)29-4-7-33-8-5-29/h9-12H,3-8H2,1-2H3,(H,30,31)
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n/an/a 1.29E+3n/an/an/an/an/an/a



Merck Serono SA

US Patent


Assay Description
The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...


US Patent US8609666 (2013)


BindingDB Entry DOI: 10.7270/Q26M35G5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM109306
PNG
(US8609666, 26)
Show SMILES COCCNc1cc(nc2c(nc(nc12)N1CCOCC1)-c1cccc(COC)c1)C(O)=O
Show InChI InChI=1S/C23H27N5O5/c1-31-9-6-24-17-13-18(22(29)30)25-21-19(16-5-3-4-15(12-16)14-32-2)26-23(27-20(17)21)28-7-10-33-11-8-28/h3-5,12-13H,6-11,14H2,1-2H3,(H,24,25)(H,29,30)
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n/an/a 1.83E+3n/an/an/an/an/an/a



Merck Serono SA

US Patent


Assay Description
The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...


US Patent US8609666 (2013)


BindingDB Entry DOI: 10.7270/Q26M35G5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM109307
PNG
(US8609666, 27)
Show SMILES COCc1cccc(c1)-c1nc(nc2c(cc(nc12)C(O)=O)N(C)CCO)N1CCOCC1
Show InChI InChI=1S/C23H27N5O5/c1-27(6-9-29)18-13-17(22(30)31)24-21-19(16-5-3-4-15(12-16)14-32-2)25-23(26-20(18)21)28-7-10-33-11-8-28/h3-5,12-13,29H,6-11,14H2,1-2H3,(H,30,31)
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n/an/a 1.85E+3n/an/an/an/an/an/a



Merck Serono SA

US Patent


Assay Description
The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...


US Patent US8609666 (2013)


BindingDB Entry DOI: 10.7270/Q26M35G5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM109308
PNG
(US8609666, 28)
Show SMILES COCc1cccc(c1)-c1nc(nc2c(NCCO)cc(nc12)C(O)=O)N1CCOCC1
Show InChI InChI=1S/C22H25N5O5/c1-31-13-14-3-2-4-15(11-14)18-20-19(26-22(25-18)27-6-9-32-10-7-27)16(23-5-8-28)12-17(24-20)21(29)30/h2-4,11-12,28H,5-10,13H2,1H3,(H,23,24)(H,29,30)
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n/an/a 2.49E+3n/an/an/an/an/an/a



Merck Serono SA

US Patent


Assay Description
The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...


US Patent US8609666 (2013)


BindingDB Entry DOI: 10.7270/Q26M35G5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM109286
PNG
(US8609666, 6)
Show SMILES COCCOc1cc(nc2c(nc(nc12)N1CCOCC1)-c1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C21H22N4O6/c1-29-10-11-31-16-12-15(20(27)28)22-19-17(13-2-4-14(26)5-3-13)23-21(24-18(16)19)25-6-8-30-9-7-25/h2-5,12,26H,6-11H2,1H3,(H,27,28)
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n/an/a 2.52E+3n/an/an/an/an/an/a



Merck Serono SA

US Patent


Assay Description
The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...


US Patent US8609666 (2013)


BindingDB Entry DOI: 10.7270/Q26M35G5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM109282
PNG
(US8609666, 2)
Show SMILES COc1cccc(c1)-c1nc(nc2ccc(nc12)C(O)=O)N1CCOCC1
Show InChI InChI=1S/C19H18N4O4/c1-26-13-4-2-3-12(11-13)16-17-14(5-6-15(20-17)18(24)25)21-19(22-16)23-7-9-27-10-8-23/h2-6,11H,7-10H2,1H3,(H,24,25)
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n/an/a 4.49E+3n/an/an/an/an/an/a



Merck Serono SA

US Patent


Assay Description
The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...


US Patent US8609666 (2013)


BindingDB Entry DOI: 10.7270/Q26M35G5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM109305
PNG
(US8609666, 25)
Show SMILES COCc1cccc(c1)-c1nc(nc2c(cc(nc12)C(O)=O)N(C)C)N1CCOCC1
Show InChI InChI=1S/C22H25N5O4/c1-26(2)17-12-16(21(28)29)23-20-18(15-6-4-5-14(11-15)13-30-3)24-22(25-19(17)20)27-7-9-31-10-8-27/h4-6,11-12H,7-10,13H2,1-3H3,(H,28,29)
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n/an/a 5.05E+3n/an/an/an/an/an/a



Merck Serono SA

US Patent


Assay Description
The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...


US Patent US8609666 (2013)


BindingDB Entry DOI: 10.7270/Q26M35G5
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%