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Compile Data Set for Download or QSAR

Found 429 hits of ic50 for UniProtKB: P42336   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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/beta/delta/gamma isoform


(Homo sapiens (Human))
BDBM169994
PNG
(US9073940, 344)
Show SMILES Fc1cccc2-c3c(CS(=O)(=O)c12)c(nn3[C@H]1CCCN(CCC2CCOCC2)C1)C(=O)N1CCOCC1 |r|
Show InChI InChI=1S/C27H35FN4O5S/c28-23-5-1-4-21-25-22(18-38(34,35)26(21)23)24(27(33)31-11-15-37-16-12-31)29-32(25)20-3-2-9-30(17-20)10-6-19-7-13-36-14-8-19/h1,4-5,19-20H,2-3,6-18H2/t20-/m0/s1
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n/an/a 6n/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 US9073940 (2015)


BindingDB Entry DOI: 10.7270/Q2ZC81N2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha/beta/delta/gamma isoform


(Homo sapiens (Human))
BDBM170092
PNG
(US9073940, 450)
Show SMILES O=C(N1CCOCC1)c1nn([C@H]2CCCN(CCN3CCCC3)C2)c-2c1CS(=O)(=O)c1ccccc-21 |r|
Show InChI InChI=1S/C26H35N5O4S/c32-26(30-14-16-35-17-15-30)24-22-19-36(33,34)23-8-2-1-7-21(23)25(22)31(27-24)20-6-5-11-29(18-20)13-12-28-9-3-4-10-28/h1-2,7-8,20H,3-6,9-19H2/t20-/m0/s1
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n/an/a 7n/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 US9073940 (2015)


BindingDB Entry DOI: 10.7270/Q2ZC81N2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha/beta/delta/gamma isoform


(Homo sapiens (Human))
BDBM169955
PNG
(US9073940, 305)
Show SMILES O=C(N1CCOCC1)c1nn(C2CCCN(CC3CCOCC3)C2)c-2c1CS(=O)(=O)c1ccccc-21
Show InChI InChI=1S/C26H34N4O5S/c31-26(29-10-14-35-15-11-29)24-22-18-36(32,33)23-6-2-1-5-21(23)25(22)30(27-24)20-4-3-9-28(17-20)16-19-7-12-34-13-8-19/h1-2,5-6,19-20H,3-4,7-18H2
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n/an/a 11n/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 US9073940 (2015)


BindingDB Entry DOI: 10.7270/Q2ZC81N2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha/beta/delta/gamma isoform


(Homo sapiens (Human))
BDBM170069
PNG
(US9073940, 427)
Show SMILES Fc1cccc2-c3c(CS(=O)(=O)c12)c(nn3[C@H]1CCCN(C1)C1CCOCC1)C(=O)N1CCOCC1 |r|
Show InChI InChI=1S/C25H31FN4O5S/c26-21-5-1-4-19-23-20(16-36(32,33)24(19)21)22(25(31)28-9-13-35-14-10-28)27-30(23)18-3-2-8-29(15-18)17-6-11-34-12-7-17/h1,4-5,17-18H,2-3,6-16H2/t18-/m0/s1
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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 US9073940 (2015)


BindingDB Entry DOI: 10.7270/Q2ZC81N2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha/beta/delta/gamma isoform


(Homo sapiens (Human))
BDBM170024
PNG
(US9073940, 376)
Show SMILES O=C(N1CCOCC1)c1nn([C@H]2CCCN(CC3CCOCC3)C2)c-2c1CS(=O)(=O)c1ncccc-21 |r|
Show InChI InChI=1S/C25H33N5O5S/c31-25(29-9-13-35-14-10-29)22-21-17-36(32,33)24-20(4-1-7-26-24)23(21)30(27-22)19-3-2-8-28(16-19)15-18-5-11-34-12-6-18/h1,4,7,18-19H,2-3,5-6,8-17H2/t19-/m0/s1
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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 US9073940 (2015)


BindingDB Entry DOI: 10.7270/Q2ZC81N2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha/beta/delta/gamma isoform


(Homo sapiens (Human))
BDBM170116
PNG
(US9073940, 474)
Show SMILES COC1CCN(CCN2CCC[C@@H](C2)n2nc(C(=O)N3CCOCC3)c3CS(=O)(=O)c4cc(F)ccc4-c23)CC1 |r|
Show InChI InChI=1S/C28H38FN5O5S/c1-38-22-6-9-31(10-7-22)11-12-32-8-2-3-21(18-32)34-27-23-5-4-20(29)17-25(23)40(36,37)19-24(27)26(30-34)28(35)33-13-15-39-16-14-33/h4-5,17,21-22H,2-3,6-16,18-19H2,1H3/t21-/m0/s1
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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 US9073940 (2015)


BindingDB Entry DOI: 10.7270/Q2ZC81N2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha/beta/delta/gamma isoform


(Homo sapiens (Human))
BDBM170012
PNG
(US9073940, 364)
Show SMILES F[C@H]1CCN(CCN2CCC[C@@H](C2)n2nc(C(=O)N3CCOCC3)c3CS(=O)(=O)c4ccccc4-c23)C1 |r|
Show InChI InChI=1S/C26H34FN5O4S/c27-19-7-9-30(16-19)11-10-29-8-3-4-20(17-29)32-25-21-5-1-2-6-23(21)37(34,35)18-22(25)24(28-32)26(33)31-12-14-36-15-13-31/h1-2,5-6,19-20H,3-4,7-18H2/t19-,20-/m0/s1
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n/an/a 14n/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 US9073940 (2015)


BindingDB Entry DOI: 10.7270/Q2ZC81N2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha/beta/delta/gamma isoform


(Homo sapiens (Human))
BDBM170114
PNG
(US9073940, 472)
Show SMILES Fc1ccc2-c3c(CS(=O)(=O)c2c1)c(nn3[C@H]1CCCN(CCN2CCOCC2)C1)C(=O)N1CCOCC1 |r|
Show InChI InChI=1S/C26H34FN5O5S/c27-19-3-4-21-23(16-19)38(34,35)18-22-24(26(33)31-10-14-37-15-11-31)28-32(25(21)22)20-2-1-5-30(17-20)7-6-29-8-12-36-13-9-29/h3-4,16,20H,1-2,5-15,17-18H2/t20-/m0/s1
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n/an/a 14n/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 US9073940 (2015)


BindingDB Entry DOI: 10.7270/Q2ZC81N2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha/beta/delta/gamma isoform


(Homo sapiens (Human))
BDBM170107
PNG
(US9073940, 465)
Show SMILES O=C(N1CCOCC1)c1nn([C@H]2CCCN(CCN3CCCCC3)C2)c-2c1CS(=O)(=O)c1ccccc-21 |r|
Show InChI InChI=1S/C27H37N5O4S/c33-27(31-15-17-36-18-16-31)25-23-20-37(34,35)24-9-3-2-8-22(24)26(23)32(28-25)21-7-6-12-30(19-21)14-13-29-10-4-1-5-11-29/h2-3,8-9,21H,1,4-7,10-20H2/t21-/m0/s1
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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 US9073940 (2015)


BindingDB Entry DOI: 10.7270/Q2ZC81N2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha/beta/delta/gamma isoform


(Homo sapiens (Human))
BDBM170030
PNG
(US9073940, 382)
Show SMILES COc1ccc2-c3c(CS(=O)(=O)c2c1)c(nn3[C@H]1CCCN(CCN2CC(F)(F)C2)C1)C(=O)N1CCOCC1 |r|
Show InChI InChI=1S/C26H33F2N5O5S/c1-37-19-4-5-20-22(13-19)39(35,36)15-21-23(25(34)32-9-11-38-12-10-32)29-33(24(20)21)18-3-2-6-30(14-18)7-8-31-16-26(27,28)17-31/h4-5,13,18H,2-3,6-12,14-17H2,1H3/t18-/m0/s1
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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 US9073940 (2015)


BindingDB Entry DOI: 10.7270/Q2ZC81N2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha/beta/delta/gamma isoform


(Homo sapiens (Human))
BDBM169956
PNG
(US9073940, 306 | US9073940, 345)
Show SMILES O=C(N1CCOCC1)c1nn([C@H]2CCCN(CCC3CCOCC3)C2)c-2c1CS(=O)(=O)c1ccccc-21 |r|
Show InChI InChI=1S/C27H36N4O5S/c32-27(30-12-16-36-17-13-30)25-23-19-37(33,34)24-6-2-1-5-22(24)26(23)31(28-25)21-4-3-10-29(18-21)11-7-20-8-14-35-15-9-20/h1-2,5-6,20-21H,3-4,7-19H2/t21-/m0/s1
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n/an/a 16n/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 US9073940 (2015)


BindingDB Entry DOI: 10.7270/Q2ZC81N2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha/beta/delta/gamma isoform


(Homo sapiens (Human))
BDBM170061
PNG
(US9073940, 413)
Show SMILES Fc1cccc2-c3c(CS(=O)(=O)c12)c(nn3C1CCCN(CCN2CCOCC2)C1)C(=O)N1CCOCC1
Show InChI InChI=1S/C26H34FN5O5S/c27-22-5-1-4-20-24-21(18-38(34,35)25(20)22)23(26(33)31-11-15-37-16-12-31)28-32(24)19-3-2-6-30(17-19)8-7-29-9-13-36-14-10-29/h1,4-5,19H,2-3,6-18H2
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n/an/a 16n/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 US9073940 (2015)


BindingDB Entry DOI: 10.7270/Q2ZC81N2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha/beta/delta/gamma isoform


(Homo sapiens (Human))
BDBM170000
PNG
(US9073940, 350)
Show SMILES Fc1cccc2-c3c(CS(=O)(=O)c12)c(nn3[C@H]1CCCN(CCN2CCOCC2)C1)C(=O)N1CCOCC1 |r|
Show InChI InChI=1S/C26H34FN5O5S/c27-22-5-1-4-20-24-21(18-38(34,35)25(20)22)23(26(33)31-11-15-37-16-12-31)28-32(24)19-3-2-6-30(17-19)8-7-29-9-13-36-14-10-29/h1,4-5,19H,2-3,6-18H2/t19-/m0/s1
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n/an/a 16n/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 US9073940 (2015)


BindingDB Entry DOI: 10.7270/Q2ZC81N2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha/beta/delta/gamma isoform


(Homo sapiens (Human))
BDBM170064
PNG
(US9073940, 422)
Show SMILES O=C(N1CCOCC1)c1nn([C@H]2CCCN(CCC3CCOCC3)C2)c-2c1CS(=O)(=O)c1ncccc-21 |r|
Show InChI InChI=1S/C26H35N5O5S/c32-26(30-11-15-36-16-12-30)23-22-18-37(33,34)25-21(4-1-8-27-25)24(22)31(28-23)20-3-2-9-29(17-20)10-5-19-6-13-35-14-7-19/h1,4,8,19-20H,2-3,5-7,9-18H2/t20-/m0/s1
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n/an/a 16n/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 US9073940 (2015)


BindingDB Entry DOI: 10.7270/Q2ZC81N2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha/beta/delta/gamma isoform


(Homo sapiens (Human))
BDBM170010
PNG
(US9073940, 362)
Show SMILES FC1(F)CN(CCN2CCC[C@@H](C2)n2nc(C(=O)N3CCOCC3)c3CS(=O)(=O)c4ccccc4-c23)C1 |r|
Show InChI InChI=1S/C25H31F2N5O4S/c26-25(27)16-30(17-25)9-8-29-7-3-4-18(14-29)32-23-19-5-1-2-6-21(19)37(34,35)15-20(23)22(28-32)24(33)31-10-12-36-13-11-31/h1-2,5-6,18H,3-4,7-17H2/t18-/m0/s1
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n/an/a 17n/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 US9073940 (2015)


BindingDB Entry DOI: 10.7270/Q2ZC81N2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha/beta/delta/gamma isoform


(Homo sapiens (Human))
BDBM170101
PNG
(US9073940, 459)
Show SMILES CN1CCCC(C1)N1CCC[C@@H](C1)n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12 |r|
Show InChI InChI=1S/C26H35N5O4S/c1-28-10-4-6-19(16-28)30-11-5-7-20(17-30)31-25-21-8-2-3-9-23(21)36(33,34)18-22(25)24(27-31)26(32)29-12-14-35-15-13-29/h2-3,8-9,19-20H,4-7,10-18H2,1H3/t19?,20-/m0/s1
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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 US9073940 (2015)


BindingDB Entry DOI: 10.7270/Q2ZC81N2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha/beta/delta/gamma isoform


(Homo sapiens (Human))
BDBM170105
PNG
(US9073940, 463)
Show SMILES OC1CCN(CCN2CCC[C@@H](C2)n2nc(C(=O)N3CCOCC3)c3CS(=O)(=O)c4ccccc4-c23)CC1 |r|
Show InChI InChI=1S/C27H37N5O5S/c33-21-7-10-29(11-8-21)12-13-30-9-3-4-20(18-30)32-26-22-5-1-2-6-24(22)38(35,36)19-23(26)25(28-32)27(34)31-14-16-37-17-15-31/h1-2,5-6,20-21,33H,3-4,7-19H2/t20-/m0/s1
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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 US9073940 (2015)


BindingDB Entry DOI: 10.7270/Q2ZC81N2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha/beta/delta/gamma isoform


(Homo sapiens (Human))
BDBM170032
PNG
(US9073940, 384)
Show SMILES COc1ccc2-c3c(CS(=O)(=O)c2c1)c(nn3[C@H]1CCCN(CCN2CCC(F)CC2)C1)C(=O)N1CCOCC1 |r|
Show InChI InChI=1S/C28H38FN5O5S/c1-38-22-4-5-23-25(17-22)40(36,37)19-24-26(28(35)33-13-15-39-16-14-33)30-34(27(23)24)21-3-2-8-32(18-21)12-11-31-9-6-20(29)7-10-31/h4-5,17,20-21H,2-3,6-16,18-19H2,1H3/t21-/m0/s1
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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 US9073940 (2015)


BindingDB Entry DOI: 10.7270/Q2ZC81N2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha/beta/delta/gamma isoform


(Homo sapiens (Human))
BDBM170096
PNG
(US9073940, 454)
Show SMILES CN1CCC(CC1)OCCN1CCC[C@@H](C1)n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12 |r|
Show InChI InChI=1S/C28H39N5O5S/c1-30-11-8-22(9-12-30)38-18-13-31-10-4-5-21(19-31)33-27-23-6-2-3-7-25(23)39(35,36)20-24(27)26(29-33)28(34)32-14-16-37-17-15-32/h2-3,6-7,21-22H,4-5,8-20H2,1H3/t21-/m0/s1
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n/an/a 20n/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 US9073940 (2015)


BindingDB Entry DOI: 10.7270/Q2ZC81N2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha/beta/delta/gamma isoform


(Homo sapiens (Human))
BDBM170088
PNG
(US9073940, 446)
Show SMILES COC1CN(CCN2CCC[C@@H](C2)n2nc(C(=O)N3CCOCC3)c3CS(=O)(=O)c4ccccc4-c23)C1 |r|
Show InChI InChI=1S/C26H35N5O5S/c1-35-20-16-29(17-20)10-9-28-8-4-5-19(15-28)31-25-21-6-2-3-7-23(21)37(33,34)18-22(25)24(27-31)26(32)30-11-13-36-14-12-30/h2-3,6-7,19-20H,4-5,8-18H2,1H3/t19-/m0/s1
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n/an/a 20n/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 US9073940 (2015)


BindingDB Entry DOI: 10.7270/Q2ZC81N2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha/beta/delta/gamma isoform


(Homo sapiens (Human))
BDBM170102
PNG
(US9073940, 460)
Show SMILES COC1CCN(CCN2CCC[C@@H](C2)n2nc(C(=O)N3CCOCC3)c3CS(=O)(=O)c4ccccc4-c23)CC1 |r|
Show InChI InChI=1S/C28H39N5O5S/c1-37-22-8-11-30(12-9-22)13-14-31-10-4-5-21(19-31)33-27-23-6-2-3-7-25(23)39(35,36)20-24(27)26(29-33)28(34)32-15-17-38-18-16-32/h2-3,6-7,21-22H,4-5,8-20H2,1H3/t21-/m0/s1
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n/an/a 21n/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 US9073940 (2015)


BindingDB Entry DOI: 10.7270/Q2ZC81N2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha/beta/delta/gamma isoform


(Homo sapiens (Human))
BDBM170052
PNG
(US9073940, 404)
Show SMILES Fc1cccc2-c3c(CS(=O)(=O)c12)c(nn3C1CCCN(CC2CCOC2)C1)C(=O)N1CCOCC1
Show InChI InChI=1S/C25H31FN4O5S/c26-21-5-1-4-19-23-20(16-36(32,33)24(19)21)22(25(31)29-8-11-34-12-9-29)27-30(23)18-3-2-7-28(14-18)13-17-6-10-35-15-17/h1,4-5,17-18H,2-3,6-16H2
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n/an/a 21n/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 US9073940 (2015)


BindingDB Entry DOI: 10.7270/Q2ZC81N2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha/beta/delta/gamma isoform


(Homo sapiens (Human))
BDBM169952
PNG
(US9073940, 302)
Show SMILES Fc1cccc2-c3c(CS(=O)(=O)c12)c(nn3C1CCN(CCC2CCOCC2)C1)C(=O)N1CCOCC1
Show InChI InChI=1S/C26H33FN4O5S/c27-22-3-1-2-20-24-21(17-37(33,34)25(20)22)23(26(32)30-10-14-36-15-11-30)28-31(24)19-5-9-29(16-19)8-4-18-6-12-35-13-7-18/h1-3,18-19H,4-17H2
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n/an/a 21n/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 US9073940 (2015)


BindingDB Entry DOI: 10.7270/Q2ZC81N2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha/beta/delta/gamma isoform


(Homo sapiens (Human))
BDBM169930
PNG
(US9073940, 280)
Show SMILES Fc1cccc2-c3c(CS(=O)(=O)c12)c(nn3C1CCCN(CCC2CCOCC2)C1)C(=O)N1CCOCC1
Show InChI InChI=1S/C27H35FN4O5S/c28-23-5-1-4-21-25-22(18-38(34,35)26(21)23)24(27(33)31-11-15-37-16-12-31)29-32(25)20-3-2-9-30(17-20)10-6-19-7-13-36-14-8-19/h1,4-5,19-20H,2-3,6-18H2
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n/an/a 22n/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 US9073940 (2015)


BindingDB Entry DOI: 10.7270/Q2ZC81N2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha/beta/delta/gamma isoform


(Homo sapiens (Human))
BDBM170106
PNG
(US9073940, 464)
Show SMILES Fc1cccc2-c3c(CS(=O)(=O)c12)c(nn3[C@H]1CCCN(CCN2CC(F)(F)C2)C1)C(=O)N1CCOCC1 |r|
Show InChI InChI=1S/C25H30F3N5O4S/c26-20-5-1-4-18-22-19(14-38(35,36)23(18)20)21(24(34)32-9-11-37-12-10-32)29-33(22)17-3-2-6-30(13-17)7-8-31-15-25(27,28)16-31/h1,4-5,17H,2-3,6-16H2/t17-/m0/s1
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n/an/a 22n/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 US9073940 (2015)


BindingDB Entry DOI: 10.7270/Q2ZC81N2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha/beta/delta/gamma isoform


(Homo sapiens (Human))
BDBM170037
PNG
(US9073940, 389)
Show SMILES COc1ccc2-c3c(CS(=O)(=O)c2c1)c(nn3[C@H]1CCCN(C1)C1CCCOC1)C(=O)N1CCOCC1 |r|
Show InChI InChI=1S/C26H34N4O6S/c1-34-20-6-7-21-23(14-20)37(32,33)17-22-24(26(31)28-9-12-35-13-10-28)27-30(25(21)22)18-4-2-8-29(15-18)19-5-3-11-36-16-19/h6-7,14,18-19H,2-5,8-13,15-17H2,1H3/t18-,19?/m0/s1
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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 US9073940 (2015)


BindingDB Entry DOI: 10.7270/Q2ZC81N2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha/beta/delta/gamma isoform


(Homo sapiens (Human))
BDBM170031
PNG
(US9073940, 383)
Show SMILES COc1ccc2-c3c(CS(=O)(=O)c2c1)c(nn3[C@H]1CCCN(CCN2CCOCC2)C1)C(=O)N1CCOCC1 |r|
Show InChI InChI=1S/C27H37N5O6S/c1-36-21-4-5-22-24(17-21)39(34,35)19-23-25(27(33)31-11-15-38-16-12-31)28-32(26(22)23)20-3-2-6-30(18-20)8-7-29-9-13-37-14-10-29/h4-5,17,20H,2-3,6-16,18-19H2,1H3/t20-/m0/s1
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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 US9073940 (2015)


BindingDB Entry DOI: 10.7270/Q2ZC81N2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha/beta/delta/gamma isoform


(Homo sapiens (Human))
BDBM170081
PNG
(US9073940, 439)
Show SMILES COC1CCN(CCN2CCC[C@@H](C2)n2nc(C(=O)N3CCOCC3)c3CS(=O)(=O)c4ccccc4-c23)C1 |r|
Show InChI InChI=1S/C27H37N5O5S/c1-36-21-8-10-30(18-21)12-11-29-9-4-5-20(17-29)32-26-22-6-2-3-7-24(22)38(34,35)19-23(26)25(28-32)27(33)31-13-15-37-16-14-31/h2-3,6-7,20-21H,4-5,8-19H2,1H3/t20-,21?/m0/s1
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n/an/a 25n/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 US9073940 (2015)


BindingDB Entry DOI: 10.7270/Q2ZC81N2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha/beta/delta/gamma isoform


(Homo sapiens (Human))
BDBM170067
PNG
(US9073940, 425)
Show SMILES Fc1cccc2-c3c(CS(=O)(=O)c12)c(nn3[C@H]1CCCN(C1)C1CCCOC1)C(=O)N1CCOCC1 |r|
Show InChI InChI=1S/C25H31FN4O5S/c26-21-7-1-6-19-23-20(16-36(32,33)24(19)21)22(25(31)28-9-12-34-13-10-28)27-30(23)17-4-2-8-29(14-17)18-5-3-11-35-15-18/h1,6-7,17-18H,2-5,8-16H2/t17-,18?/m0/s1
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n/an/a 25n/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 US9073940 (2015)


BindingDB Entry DOI: 10.7270/Q2ZC81N2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha/beta/delta/gamma isoform


(Homo sapiens (Human))
BDBM170111
PNG
(US9073940, 469)
Show SMILES O=C(N1CCOCC1)c1nn([C@H]2CCCN(C2)C2CCCNC2)c-2c1CS(=O)(=O)c1ccccc-21 |r|
Show InChI InChI=1S/C25H33N5O4S/c31-25(28-11-13-34-14-12-28)23-21-17-35(32,33)22-8-2-1-7-20(22)24(21)30(27-23)19-6-4-10-29(16-19)18-5-3-9-26-15-18/h1-2,7-8,18-19,26H,3-6,9-17H2/t18?,19-/m0/s1
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n/an/a 25n/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 US9073940 (2015)


BindingDB Entry DOI: 10.7270/Q2ZC81N2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha/beta/delta/gamma isoform


(Homo sapiens (Human))
BDBM170009
PNG
(US9073940, 361)
Show SMILES O=C(N1CCOCC1)c1nn([C@H]2CCCN(CC3CCOCC3)C2)c-2c1CS(=O)(=O)c1ccccc-21 |r|
Show InChI InChI=1S/C26H34N4O5S/c31-26(29-10-14-35-15-11-29)24-22-18-36(32,33)23-6-2-1-5-21(23)25(22)30(27-24)20-4-3-9-28(17-20)16-19-7-12-34-13-8-19/h1-2,5-6,19-20H,3-4,7-18H2/t20-/m0/s1
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n/an/a 25n/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 US9073940 (2015)


BindingDB Entry DOI: 10.7270/Q2ZC81N2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha/beta/delta/gamma isoform


(Homo sapiens (Human))
BDBM170011
PNG
(US9073940, 363)
Show SMILES FC1CCN(CCN2CCC[C@@H](C2)n2nc(C(=O)N3CCOCC3)c3CS(=O)(=O)c4ccccc4-c23)CC1 |r|
Show InChI InChI=1S/C27H36FN5O4S/c28-20-7-10-30(11-8-20)12-13-31-9-3-4-21(18-31)33-26-22-5-1-2-6-24(22)38(35,36)19-23(26)25(29-33)27(34)32-14-16-37-17-15-32/h1-2,5-6,20-21H,3-4,7-19H2/t21-/m0/s1
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n/an/a 25n/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 US9073940 (2015)


BindingDB Entry DOI: 10.7270/Q2ZC81N2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha/beta/delta/gamma isoform


(Homo sapiens (Human))
BDBM170017
PNG
(US9073940, 369)
Show SMILES COc1ccc2-c3c(CS(=O)(=O)c2c1)c(nn3[C@H]1CCCN(CCC2CCOCC2)C1)C(=O)N1CCOCC1 |r|
Show InChI InChI=1S/C28H38N4O6S/c1-36-22-4-5-23-25(17-22)39(34,35)19-24-26(28(33)31-11-15-38-16-12-31)29-32(27(23)24)21-3-2-9-30(18-21)10-6-20-7-13-37-14-8-20/h4-5,17,20-21H,2-3,6-16,18-19H2,1H3/t21-/m0/s1
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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 US9073940 (2015)


BindingDB Entry DOI: 10.7270/Q2ZC81N2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha/beta/delta/gamma isoform


(Homo sapiens (Human))
BDBM170095
PNG
(US9073940, 453)
Show SMILES COc1ccc2c(c1)-c1c(CS2(=O)=O)c(nn1C1CCCN(CCN2CCOCC2)C1)C(=O)N1CCOCC1
Show InChI InChI=1S/C27H37N5O6S/c1-36-21-4-5-24-22(17-21)26-23(19-39(24,34)35)25(27(33)31-11-15-38-16-12-31)28-32(26)20-3-2-6-30(18-20)8-7-29-9-13-37-14-10-29/h4-5,17,20H,2-3,6-16,18-19H2,1H3
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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 US9073940 (2015)


BindingDB Entry DOI: 10.7270/Q2ZC81N2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha/beta/delta/gamma isoform


(Homo sapiens (Human))
BDBM170093
PNG
(US9073940, 451)
Show SMILES CN1CCC(CC1)N1CCC[C@@H](C1)n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12 |r|
Show InChI InChI=1S/C26H35N5O4S/c1-28-11-8-19(9-12-28)30-10-4-5-20(17-30)31-25-21-6-2-3-7-23(21)36(33,34)18-22(25)24(27-31)26(32)29-13-15-35-16-14-29/h2-3,6-7,19-20H,4-5,8-18H2,1H3/t20-/m0/s1
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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 US9073940 (2015)


BindingDB Entry DOI: 10.7270/Q2ZC81N2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha/beta/delta/gamma isoform


(Homo sapiens (Human))
BDBM170033
PNG
(US9073940, 385)
Show SMILES CC1CN(CCN2CCC[C@@H](C2)n2nc(C(=O)N3CCOCC3)c3CS(=O)(=O)c4ccccc4-c23)CCO1 |r|
Show InChI InChI=1S/C27H37N5O5S/c1-20-17-30(11-16-37-20)10-9-29-8-4-5-21(18-29)32-26-22-6-2-3-7-24(22)38(34,35)19-23(26)25(28-32)27(33)31-12-14-36-15-13-31/h2-3,6-7,20-21H,4-5,8-19H2,1H3/t20?,21-/m0/s1
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n/an/a 29n/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 US9073940 (2015)


BindingDB Entry DOI: 10.7270/Q2ZC81N2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha/beta/delta/gamma isoform


(Homo sapiens (Human))
BDBM169948
PNG
(US9073940, 298)
Show SMILES Fc1cccc2-c3c(CS(=O)(=O)c12)c(nn3C1CCN(C1)C1CCOCC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C24H29FN4O5S/c25-20-3-1-2-18-22-19(15-35(31,32)23(18)20)21(24(30)27-8-12-34-13-9-27)26-29(22)17-4-7-28(14-17)16-5-10-33-11-6-16/h1-3,16-17H,4-15H2
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n/an/a 29n/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 US9073940 (2015)


BindingDB Entry DOI: 10.7270/Q2ZC81N2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha/beta/delta/gamma isoform


(Homo sapiens (Human))
BDBM170034
PNG
(US9073940, 386)
Show SMILES Clc1cccc2-c3c(CS(=O)(=O)c12)c(nn3[C@H]1CCCN(CCN2CCOCC2)C1)C(=O)N1CCOCC1 |r|
Show InChI InChI=1S/C26H34ClN5O5S/c27-22-5-1-4-20-24-21(18-38(34,35)25(20)22)23(26(33)31-11-15-37-16-12-31)28-32(24)19-3-2-6-30(17-19)8-7-29-9-13-36-14-10-29/h1,4-5,19H,2-3,6-18H2/t19-/m0/s1
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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 US9073940 (2015)


BindingDB Entry DOI: 10.7270/Q2ZC81N2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha/beta/delta/gamma isoform


(Homo sapiens (Human))
BDBM170076
PNG
(US9073940, 434)
Show SMILES COCCN1CCC[C@@H](C1)n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3c(F)cccc3-c12 |r|
Show InChI InChI=1S/C23H29FN4O5S/c1-32-11-8-26-7-3-4-16(14-26)28-21-17-5-2-6-19(24)22(17)34(30,31)15-18(21)20(25-28)23(29)27-9-12-33-13-10-27/h2,5-6,16H,3-4,7-15H2,1H3/t16-/m0/s1
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n/an/a 31n/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 US9073940 (2015)


BindingDB Entry DOI: 10.7270/Q2ZC81N2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha/beta/delta/gamma isoform


(Homo sapiens (Human))
BDBM170015
PNG
(US9073940, 367)
Show SMILES FC1CCN(CCN2CCC[C@@H](C2)n2nc(C(=O)N3CCOCC3)c3CS(=O)(=O)c4ccccc4-c23)C1 |r|
Show InChI InChI=1S/C26H34FN5O4S/c27-19-7-9-30(16-19)11-10-29-8-3-4-20(17-29)32-25-21-5-1-2-6-23(21)37(34,35)18-22(25)24(28-32)26(33)31-12-14-36-15-13-31/h1-2,5-6,19-20H,3-4,7-18H2/t19?,20-/m0/s1
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n/an/a 32n/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 US9073940 (2015)


BindingDB Entry DOI: 10.7270/Q2ZC81N2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha/beta/delta/gamma isoform


(Homo sapiens (Human))
BDBM169956
PNG
(US9073940, 306 | US9073940, 345)
Show SMILES O=C(N1CCOCC1)c1nn([C@H]2CCCN(CCC3CCOCC3)C2)c-2c1CS(=O)(=O)c1ccccc-21 |r|
Show InChI InChI=1S/C27H36N4O5S/c32-27(30-12-16-36-17-13-30)25-23-19-37(33,34)24-6-2-1-5-22(24)26(23)31(28-25)21-4-3-10-29(18-21)11-7-20-8-14-35-15-9-20/h1-2,5-6,20-21H,3-4,7-19H2/t21-/m0/s1
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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 US9073940 (2015)


BindingDB Entry DOI: 10.7270/Q2ZC81N2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha/beta/delta/gamma isoform


(Homo sapiens (Human))
BDBM169931
PNG
(US9073940, 281)
Show SMILES FC1CCN(CCN2CCCC(C2)n2nc(C(=O)N3CCOCC3)c3CS(=O)(=O)c4ccccc4-c23)CC1
Show InChI InChI=1S/C27H36FN5O4S/c28-20-7-10-30(11-8-20)12-13-31-9-3-4-21(18-31)33-26-22-5-1-2-6-24(22)38(35,36)19-23(26)25(29-33)27(34)32-14-16-37-17-15-32/h1-2,5-6,20-21H,3-4,7-19H2
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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 US9073940 (2015)


BindingDB Entry DOI: 10.7270/Q2ZC81N2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha/beta/delta/gamma isoform


(Homo sapiens (Human))
BDBM170087
PNG
(US9073940, 445)
Show SMILES COCCNCCN1CCC[C@@H](C1)n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12 |r|
Show InChI InChI=1S/C25H35N5O5S/c1-34-14-9-26-8-11-28-10-4-5-19(17-28)30-24-20-6-2-3-7-22(20)36(32,33)18-21(24)23(27-30)25(31)29-12-15-35-16-13-29/h2-3,6-7,19,26H,4-5,8-18H2,1H3/t19-/m0/s1
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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 US9073940 (2015)


BindingDB Entry DOI: 10.7270/Q2ZC81N2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha/beta/delta/gamma isoform


(Homo sapiens (Human))
BDBM169933
PNG
(US9073940, 283)
Show SMILES F[C@@H]1CCN(CCN2CCCC(C2)n2nc(C(=O)N3CCOCC3)c3CS(=O)(=O)c4ccccc4-c23)C1 |r|
Show InChI InChI=1S/C26H34FN5O4S/c27-19-7-9-30(16-19)11-10-29-8-3-4-20(17-29)32-25-21-5-1-2-6-23(21)37(34,35)18-22(25)24(28-32)26(33)31-12-14-36-15-13-31/h1-2,5-6,19-20H,3-4,7-18H2/t19-,20?/m1/s1
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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 US9073940 (2015)


BindingDB Entry DOI: 10.7270/Q2ZC81N2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha/beta/delta/gamma isoform


(Homo sapiens (Human))
BDBM169923
PNG
(US9073940, 273)
Show SMILES FC1(F)CN(CCN2CCCC(C2)n2nc(C(=O)N3CCOCC3)c3CS(=O)(=O)c4ccccc4-c23)C1
Show InChI InChI=1S/C25H31F2N5O4S/c26-25(27)16-30(17-25)9-8-29-7-3-4-18(14-29)32-23-19-5-1-2-6-21(19)37(34,35)15-20(23)22(28-32)24(33)31-10-12-36-13-11-31/h1-2,5-6,18H,3-4,7-17H2
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n/an/a 36n/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 US9073940 (2015)


BindingDB Entry DOI: 10.7270/Q2ZC81N2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha/beta/delta/gamma isoform


(Homo sapiens (Human))
BDBM170029
PNG
(US9073940, 381)
Show SMILES O=C(N1CCOCC1)c1nn([C@H]2CCCN(C2)C2CCCOC2)c-2c1CS(=O)(=O)c1ncccc-21 |r|
Show InChI InChI=1S/C24H31N5O5S/c30-24(27-9-12-33-13-10-27)21-20-16-35(31,32)23-19(6-1-7-25-23)22(20)29(26-21)17-4-2-8-28(14-17)18-5-3-11-34-15-18/h1,6-7,17-18H,2-5,8-16H2/t17-,18?/m0/s1
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n/an/a 36n/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 US9073940 (2015)


BindingDB Entry DOI: 10.7270/Q2ZC81N2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha/beta/delta/gamma isoform


(Homo sapiens (Human))
BDBM170062
PNG
(US9073940, 414)
Show SMILES Fc1cccc2-c3c(CS(=O)(=O)c12)c(nn3C1CCCN(CCN2CC(F)(F)C2)C1)C(=O)N1CCOCC1
Show InChI InChI=1S/C25H30F3N5O4S/c26-20-5-1-4-18-22-19(14-38(35,36)23(18)20)21(24(34)32-9-11-37-12-10-32)29-33(22)17-3-2-6-30(13-17)7-8-31-15-25(27,28)16-31/h1,4-5,17H,2-3,6-16H2
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n/an/a 38n/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 US9073940 (2015)


BindingDB Entry DOI: 10.7270/Q2ZC81N2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha/beta/delta/gamma isoform


(Homo sapiens (Human))
BDBM169951
PNG
(US9073940, 301)
Show SMILES Clc1cccc2-c3c(CS(=O)(=O)c12)c(nn3C1CCCN(CCC2CCOCC2)C1)C(=O)N1CCOCC1
Show InChI InChI=1S/C27H35ClN4O5S/c28-23-5-1-4-21-25-22(18-38(34,35)26(21)23)24(27(33)31-11-15-37-16-12-31)29-32(25)20-3-2-9-30(17-20)10-6-19-7-13-36-14-8-19/h1,4-5,19-20H,2-3,6-18H2
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n/an/a 38n/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 US9073940 (2015)


BindingDB Entry DOI: 10.7270/Q2ZC81N2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha/beta/delta/gamma isoform


(Homo sapiens (Human))
BDBM170071
PNG
(US9073940, 429)
Show SMILES FC1(F)CN(C1)C(=O)CCN1CCC[C@@H](C1)n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12 |r|
Show InChI InChI=1S/C26H31F2N5O5S/c27-26(28)16-32(17-26)22(34)7-9-30-8-3-4-18(14-30)33-24-19-5-1-2-6-21(19)39(36,37)15-20(24)23(29-33)25(35)31-10-12-38-13-11-31/h1-2,5-6,18H,3-4,7-17H2/t18-/m0/s1
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n/an/a 39n/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 US9073940 (2015)


BindingDB Entry DOI: 10.7270/Q2ZC81N2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha/beta/delta/gamma isoform


(Homo sapiens (Human))
BDBM169996
PNG
(US9073940, 346)
Show SMILES COCCN1CCC[C@@H](C1)n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12 |r|
Show InChI InChI=1S/C23H30N4O5S/c1-31-12-9-25-8-4-5-17(15-25)27-22-18-6-2-3-7-20(18)33(29,30)16-19(22)21(24-27)23(28)26-10-13-32-14-11-26/h2-3,6-7,17H,4-5,8-16H2,1H3/t17-/m0/s1
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n/an/a 40n/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 US9073940 (2015)


BindingDB Entry DOI: 10.7270/Q2ZC81N2
More data for this
Ligand-Target Pair
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