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Compile Data Set for Download or QSAR

Found 119 hits Enz. Inhib. hit(s) with all data for entry = 7973   
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 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM226282
PNG
(US9321790, 94)
Show SMILES CC(=O)N1CCC(CN2[C@@H](CCn3c2nc(cc3=O)N2C[C@@H]3C[C@H]2CO3)C(F)(F)F)CC1 |TLB:15:19:24.25:22|
Show InChI InChI=1S/C21H28F3N5O3/c1-13(30)26-5-2-14(3-6-26)10-29-17(21(22,23)24)4-7-27-19(31)9-18(25-20(27)29)28-11-16-8-15(28)12-32-16/h9,14-17H,2-8,10-12H2,1H3/t15-,16-,17-/m0/s1
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Sanofi

US Patent


Assay Description
The compounds according to the invention underwent pharmacological trials to measure the selectivity toward human lipid kinases and especially human ...


US Patent US9321790 (2016)


BindingDB Entry DOI: 10.7270/Q2KD1WSG
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM226283
PNG
(US9321790, 95)
Show SMILES FC(F)(F)C1CCn2c(nc(cc2=O)N2C[C@@H]3C[C@H]2CO3)N1CC1CCN(CC1)C=O |THB:10:14:20.19:17|
Show InChI InChI=1S/C20H26F3N5O3/c21-20(22,23)16-3-6-26-18(30)8-17(27-10-15-7-14(27)11-31-15)24-19(26)28(16)9-13-1-4-25(12-29)5-2-13/h8,12-16H,1-7,9-11H2/t14-,15-,16?/m0/s1
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Sanofi

US Patent


Assay Description
The compounds according to the invention underwent pharmacological trials to measure the selectivity toward human lipid kinases and especially human ...


US Patent US9321790 (2016)


BindingDB Entry DOI: 10.7270/Q2KD1WSG
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM226271
PNG
(US9321790, 83)
Show SMILES Oc1ccc(CCN2[C@@H](CCn3c2nc(cc3=O)N2CC3CCC(C2)O3)C(F)(F)F)cc1 |TLB:14:18:21.22:25|
Show InChI InChI=1S/C22H25F3N4O3/c23-22(24,25)18-8-10-29-20(31)11-19(27-12-16-5-6-17(13-27)32-16)26-21(29)28(18)9-7-14-1-3-15(30)4-2-14/h1-4,11,16-18,30H,5-10,12-13H2/t16?,17?,18-/m0/s1
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Sanofi

US Patent


Assay Description
The compounds according to the invention underwent pharmacological trials to measure the selectivity toward human lipid kinases and especially human ...


US Patent US9321790 (2016)


BindingDB Entry DOI: 10.7270/Q2KD1WSG
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM226272
PNG
(US9321790, 84)
Show SMILES Cc1c(nc2N(CCCc3ccccc3)[C@@H](CCn2c1=O)C(F)(F)F)N1CC2CCC(C1)O2 |TLB:2:25:28.29:32|
Show InChI InChI=1S/C24H29F3N4O2/c1-16-21(29-14-18-9-10-19(15-29)33-18)28-23-30(12-5-8-17-6-3-2-4-7-17)20(24(25,26)27)11-13-31(23)22(16)32/h2-4,6-7,18-20H,5,8-15H2,1H3/t18?,19?,20-/m0/s1
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Sanofi

US Patent


Assay Description
The compounds according to the invention underwent pharmacological trials to measure the selectivity toward human lipid kinases and especially human ...


US Patent US9321790 (2016)


BindingDB Entry DOI: 10.7270/Q2KD1WSG
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM226266
PNG
(US9321790, 78)
Show SMILES CN(C)CCCOc1ccc(CCN2c3nc(cc(=O)n3C[C@@]2(C)C(F)(F)F)N2CC3CCC(C2)O3)cc1 |TLB:16:28:31.32:35|
Show InChI InChI=1S/C27H36F3N5O3/c1-26(27(28,29)30)18-34-24(36)15-23(33-16-21-9-10-22(17-33)38-21)31-25(34)35(26)13-11-19-5-7-20(8-6-19)37-14-4-12-32(2)3/h5-8,15,21-22H,4,9-14,16-18H2,1-3H3/t21?,22?,26-/m0/s1
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Sanofi

US Patent


Assay Description
The compounds according to the invention underwent pharmacological trials to measure the selectivity toward human lipid kinases and especially human ...


US Patent US9321790 (2016)


BindingDB Entry DOI: 10.7270/Q2KD1WSG
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM226299
PNG
(US9321790, 111)
Show SMILES FC(F)(F)[C@@H]1CCn2c(nc(cc2=O)N2C[C@@H]3C[C@H]2CO3)N1CCc1ccc(OCCN2CCOCC2)cc1 |TLB:10:14:19.20:17|
Show InChI InChI=1S/C27H34F3N5O4/c28-27(29,30)23-6-8-34-25(36)16-24(35-17-22-15-20(35)18-39-22)31-26(34)33(23)7-5-19-1-3-21(4-2-19)38-14-11-32-9-12-37-13-10-32/h1-4,16,20,22-23H,5-15,17-18H2/t20-,22-,23-/m0/s1
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Sanofi

US Patent


Assay Description
The compounds according to the invention underwent pharmacological trials to measure the selectivity toward human lipid kinases and especially human ...


US Patent US9321790 (2016)


BindingDB Entry DOI: 10.7270/Q2KD1WSG
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM226270
PNG
(US9321790, 82)
Show SMILES O[C@H](CN1[C@@H](CCn2c1nc(cc2=O)N1CC2CCC(C1)O2)C(F)(F)F)c1cc2ccccc2s1 |TLB:10:14:17.18:21|
Show InChI InChI=1S/C24H25F3N4O3S/c25-24(26,27)20-7-8-30-22(33)10-21(29-11-15-5-6-16(12-29)34-15)28-23(30)31(20)13-17(32)19-9-14-3-1-2-4-18(14)35-19/h1-4,9-10,15-17,20,32H,5-8,11-13H2/t15?,16?,17-,20+/m1/s1
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Sanofi

US Patent


Assay Description
The compounds according to the invention underwent pharmacological trials to measure the selectivity toward human lipid kinases and especially human ...


US Patent US9321790 (2016)


BindingDB Entry DOI: 10.7270/Q2KD1WSG
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM226305
PNG
(US9321790, 117)
Show SMILES CN(C)CCOc1ccc(CCN2[C@@H](CCn3c2nc(cc3=O)N2C[C@@H]3C[C@H]2CO3)C(F)(F)F)cc1 |TLB:19:23:28.29:26|
Show InChI InChI=1S/C25H32F3N5O3/c1-30(2)11-12-35-19-5-3-17(4-6-19)7-9-31-21(25(26,27)28)8-10-32-23(34)14-22(29-24(31)32)33-15-20-13-18(33)16-36-20/h3-6,14,18,20-21H,7-13,15-16H2,1-2H3/t18-,20-,21-/m0/s1
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Sanofi

US Patent


Assay Description
The compounds according to the invention underwent pharmacological trials to measure the selectivity toward human lipid kinases and especially human ...


US Patent US9321790 (2016)


BindingDB Entry DOI: 10.7270/Q2KD1WSG
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM226285
PNG
(US9321790, 97)
Show SMILES OC(CCN1C(CCn2c1nc(cc2=O)N1C[C@@H]2C[C@H]1CO2)C(F)(F)F)(C(F)(F)F)C(F)(F)F |THB:11:15:21.20:18|
Show InChI InChI=1S/C18H19F9N4O3/c19-16(20,21)11-1-3-30-13(32)6-12(31-7-10-5-9(31)8-34-10)28-14(30)29(11)4-2-15(33,17(22,23)24)18(25,26)27/h6,9-11,33H,1-5,7-8H2/t9-,10-,11?/m0/s1
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Sanofi

US Patent


Assay Description
The compounds according to the invention underwent pharmacological trials to measure the selectivity toward human lipid kinases and especially human ...


US Patent US9321790 (2016)


BindingDB Entry DOI: 10.7270/Q2KD1WSG
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM226280
PNG
(US9321790, 92)
Show SMILES FC(F)(F)C1CCn2c(nc(cc2=O)N2C[C@@H]3C[C@H]2CO3)N1CCC1CCOCC1 |THB:10:14:20.19:17|
Show InChI InChI=1S/C20H27F3N4O3/c21-20(22,23)16-2-6-26-18(28)10-17(27-11-15-9-14(27)12-30-15)24-19(26)25(16)5-1-13-3-7-29-8-4-13/h10,13-16H,1-9,11-12H2/t14-,15-,16?/m0/s1
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Sanofi

US Patent


Assay Description
The compounds according to the invention underwent pharmacological trials to measure the selectivity toward human lipid kinases and especially human ...


US Patent US9321790 (2016)


BindingDB Entry DOI: 10.7270/Q2KD1WSG
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM226289
PNG
(US9321790, 101)
Show SMILES OC1(CN2[C@@H](CCn3c2nc(cc3=O)N2C[C@@H]3C[C@H]2CO3)C(F)(F)F)CCCC1 |TLB:10:14:19.20:17|
Show InChI InChI=1S/C19H25F3N4O3/c20-19(21,22)14-3-6-24-16(27)8-15(25-9-13-7-12(25)10-29-13)23-17(24)26(14)11-18(28)4-1-2-5-18/h8,12-14,28H,1-7,9-11H2/t12-,13-,14-/m0/s1
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Sanofi

US Patent


Assay Description
The compounds according to the invention underwent pharmacological trials to measure the selectivity toward human lipid kinases and especially human ...


US Patent US9321790 (2016)


BindingDB Entry DOI: 10.7270/Q2KD1WSG
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM226303
PNG
(US9321790, 115)
Show SMILES FC(F)(F)[C@@H]1CCn2c(nc(cc2=O)N2C[C@@H]3C[C@H]2CO3)N1CCc1ccc(OCC(=O)N2CCOCC2)cc1 |TLB:10:14:19.20:17|
Show InChI InChI=1S/C27H32F3N5O5/c28-27(29,30)22-6-8-34-24(36)14-23(35-15-21-13-19(35)16-39-21)31-26(34)33(22)7-5-18-1-3-20(4-2-18)40-17-25(37)32-9-11-38-12-10-32/h1-4,14,19,21-22H,5-13,15-17H2/t19-,21-,22-/m0/s1
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Sanofi

US Patent


Assay Description
The compounds according to the invention underwent pharmacological trials to measure the selectivity toward human lipid kinases and especially human ...


US Patent US9321790 (2016)


BindingDB Entry DOI: 10.7270/Q2KD1WSG
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM226260
PNG
(US9321790, 72)
Show SMILES C[C@]1(Cn2c(nc(cc2=O)N2CC3CCC(C2)O3)N1CCc1ccc(O)cc1)C(F)(F)F |TLB:6:10:13.14:17|
Show InChI InChI=1S/C22H25F3N4O3/c1-21(22(23,24)25)13-28-19(31)10-18(27-11-16-6-7-17(12-27)32-16)26-20(28)29(21)9-8-14-2-4-15(30)5-3-14/h2-5,10,16-17,30H,6-9,11-13H2,1H3/t16?,17?,21-/m0/s1
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Sanofi

US Patent


Assay Description
The compounds according to the invention underwent pharmacological trials to measure the selectivity toward human lipid kinases and especially human ...


US Patent US9321790 (2016)


BindingDB Entry DOI: 10.7270/Q2KD1WSG
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM226281
PNG
(US9321790, 93)
Show SMILES FC(F)(F)C1CCn2c(nc(cc2=O)N2C[C@@H]3C[C@H]2CO3)N1CC1CCOCC1 |THB:10:14:20.19:17|
Show InChI InChI=1S/C19H25F3N4O3/c20-19(21,22)15-1-4-24-17(27)8-16(25-10-14-7-13(25)11-29-14)23-18(24)26(15)9-12-2-5-28-6-3-12/h8,12-15H,1-7,9-11H2/t13-,14-,15?/m0/s1
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Sanofi

US Patent


Assay Description
The compounds according to the invention underwent pharmacological trials to measure the selectivity toward human lipid kinases and especially human ...


US Patent US9321790 (2016)


BindingDB Entry DOI: 10.7270/Q2KD1WSG
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM226259
PNG
(US9321790, 71)
Show SMILES COc1cc(F)ccc1[C@H](O)CN1[C@@H](CCn2c1nc(cc2=O)N1CC2CCC(C1)O2)C(F)(F)F |TLB:19:23:26.27:30|
Show InChI InChI=1S/C23H26F4N4O4/c1-34-18-8-13(24)2-5-16(18)17(32)12-31-19(23(25,26)27)6-7-30-21(33)9-20(28-22(30)31)29-10-14-3-4-15(11-29)35-14/h2,5,8-9,14-15,17,19,32H,3-4,6-7,10-12H2,1H3/t14?,15?,17-,19+/m1/s1
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Sanofi

US Patent


Assay Description
The compounds according to the invention underwent pharmacological trials to measure the selectivity toward human lipid kinases and especially human ...


US Patent US9321790 (2016)


BindingDB Entry DOI: 10.7270/Q2KD1WSG
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM226265
PNG
(US9321790, 77)
Show SMILES C[C@]1(Cn2c(nc(cc2=O)N2CC3CCC(C2)O3)N1CCCc1ccccc1)C(F)(F)F |TLB:6:10:13.14:17|
Show InChI InChI=1S/C23H27F3N4O2/c1-22(23(24,25)26)15-29-20(31)12-19(28-13-17-9-10-18(14-28)32-17)27-21(29)30(22)11-5-8-16-6-3-2-4-7-16/h2-4,6-7,12,17-18H,5,8-11,13-15H2,1H3/t17?,18?,22-/m0/s1
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Sanofi

US Patent


Assay Description
The compounds according to the invention underwent pharmacological trials to measure the selectivity toward human lipid kinases and especially human ...


US Patent US9321790 (2016)


BindingDB Entry DOI: 10.7270/Q2KD1WSG
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM226262
PNG
(US9321790, 74)
Show SMILES CN(C)CCOc1ccc(CCN2c3nc(cc(=O)n3C[C@@]2(C)C(F)(F)F)N2CC3CCC(C2)O3)cc1 |TLB:15:27:30.31:34|
Show InChI InChI=1S/C26H34F3N5O3/c1-25(26(27,28)29)17-33-23(35)14-22(32-15-20-8-9-21(16-32)37-20)30-24(33)34(25)11-10-18-4-6-19(7-5-18)36-13-12-31(2)3/h4-7,14,20-21H,8-13,15-17H2,1-3H3/t20?,21?,25-/m0/s1
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Sanofi

US Patent


Assay Description
The compounds according to the invention underwent pharmacological trials to measure the selectivity toward human lipid kinases and especially human ...


US Patent US9321790 (2016)


BindingDB Entry DOI: 10.7270/Q2KD1WSG
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM226291
PNG
(US9321790, 103)
Show SMILES OC(CN1[C@@H](CCn2c1nc(cc2=O)N1C[C@@H]2C[C@H]1CO2)C(F)(F)F)(C1CC1)C1CC1 |TLB:10:14:19.20:17|
Show InChI InChI=1S/C21H27F3N4O3/c22-21(23,24)16-5-6-26-18(29)8-17(27-9-15-7-14(27)10-31-15)25-19(26)28(16)11-20(30,12-1-2-12)13-3-4-13/h8,12-16,30H,1-7,9-11H2/t14-,15-,16-/m0/s1
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Sanofi

US Patent


Assay Description
The compounds according to the invention underwent pharmacological trials to measure the selectivity toward human lipid kinases and especially human ...


US Patent US9321790 (2016)


BindingDB Entry DOI: 10.7270/Q2KD1WSG
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM226292
PNG
(US9321790, 104)
Show SMILES OC1(CN2[C@@H](CCn3c2nc(cc3=O)N2C[C@@H]3C[C@H]2CO3)C(F)(F)F)CC1 |TLB:10:14:19.20:17|
Show InChI InChI=1S/C17H21F3N4O3/c18-17(19,20)12-1-4-22-14(25)6-13(23-7-11-5-10(23)8-27-11)21-15(22)24(12)9-16(26)2-3-16/h6,10-12,26H,1-5,7-9H2/t10-,11-,12-/m0/s1
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Sanofi

US Patent


Assay Description
The compounds according to the invention underwent pharmacological trials to measure the selectivity toward human lipid kinases and especially human ...


US Patent US9321790 (2016)


BindingDB Entry DOI: 10.7270/Q2KD1WSG
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM226264
PNG
(US9321790, 76)
Show SMILES COc1ccc(CCN2c3nc(cc(=O)n3C[C@@]2(C)C(F)(F)F)N2CC3CCC(C2)O3)cc1 |TLB:11:23:26.27:30|
Show InChI InChI=1S/C23H27F3N4O3/c1-22(23(24,25)26)14-29-20(31)11-19(28-12-17-7-8-18(13-28)33-17)27-21(29)30(22)10-9-15-3-5-16(32-2)6-4-15/h3-6,11,17-18H,7-10,12-14H2,1-2H3/t17?,18?,22-/m0/s1
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n/an/a 950n/an/an/an/a7.5n/a



Sanofi

US Patent


Assay Description
The compounds according to the invention underwent pharmacological trials to measure the selectivity toward human lipid kinases and especially human ...


US Patent US9321790 (2016)


BindingDB Entry DOI: 10.7270/Q2KD1WSG
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM226258
PNG
(US9321790, 70)
Show SMILES CN(C)C(=O)COc1ccc(CCN2c3nc(cc(=O)n3C[C@@]2(C)C(F)(F)F)N2CC3CCC(C2)O3)cc1 |TLB:16:28:31.32:35|
Show InChI InChI=1S/C26H32F3N5O4/c1-25(26(27,28)29)16-33-22(35)12-21(32-13-19-8-9-20(14-32)38-19)30-24(33)34(25)11-10-17-4-6-18(7-5-17)37-15-23(36)31(2)3/h4-7,12,19-20H,8-11,13-16H2,1-3H3/t19?,20?,25-/m0/s1
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Sanofi

US Patent


Assay Description
The compounds according to the invention underwent pharmacological trials to measure the selectivity toward human lipid kinases and especially human ...


US Patent US9321790 (2016)


BindingDB Entry DOI: 10.7270/Q2KD1WSG
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM226213
PNG
(US9321790, 25)
Show SMILES Cc1ncsc1CCN1[C@@H](CCn2c1nc(cc2=O)N1C[C@@H]2C[C@H]1CO2)C(F)(F)F |TLB:15:19:24.25:22|
Show InChI InChI=1S/C19H22F3N5O2S/c1-11-14(30-10-23-11)2-4-25-15(19(20,21)22)3-5-26-17(28)7-16(24-18(25)26)27-8-13-6-12(27)9-29-13/h7,10,12-13,15H,2-6,8-9H2,1H3/t12-,13-,15-/m0/s1
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Sanofi

US Patent


Assay Description
The compounds according to the invention underwent pharmacological trials to measure the selectivity toward human lipid kinases and especially human ...


US Patent US9321790 (2016)


BindingDB Entry DOI: 10.7270/Q2KD1WSG
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM226211
PNG
(US9321790, 23)
Show SMILES CCNC(=O)Nc1ccc(CCN2C(CCn3c2nc(cc3=O)N2C[C@@H]3C[C@H]2CO3)C(F)(F)F)cc1 |TLB:19:23:28.29:26|
Show InChI InChI=1S/C24H29F3N6O3/c1-2-28-22(35)29-16-5-3-15(4-6-16)7-9-31-19(24(25,26)27)8-10-32-21(34)12-20(30-23(31)32)33-13-18-11-17(33)14-36-18/h3-6,12,17-19H,2,7-11,13-14H2,1H3,(H2,28,29,35)/t17-,18-,19?/m0/s1
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Sanofi

US Patent


Assay Description
The compounds according to the invention underwent pharmacological trials to measure the selectivity toward human lipid kinases and especially human ...


US Patent US9321790 (2016)


BindingDB Entry DOI: 10.7270/Q2KD1WSG
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM226276
PNG
(US9321790, 88)
Show SMILES FC(F)(F)[C@@H]1CCn2c(nc(cc2=O)N2CC3CCC(C2)O3)N1CC(=O)c1ccccn1 |TLB:10:14:17.18:21|
Show InChI InChI=1S/C21H22F3N5O3/c22-21(23,24)17-6-8-28-19(31)9-18(27-10-13-4-5-14(11-27)32-13)26-20(28)29(17)12-16(30)15-3-1-2-7-25-15/h1-3,7,9,13-14,17H,4-6,8,10-12H2/t13?,14?,17-/m0/s1
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Sanofi

US Patent


Assay Description
The compounds according to the invention underwent pharmacological trials to measure the selectivity toward human lipid kinases and especially human ...


US Patent US9321790 (2016)


BindingDB Entry DOI: 10.7270/Q2KD1WSG
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM226215
PNG
(US9321790, 27)
Show SMILES Cc1n[nH]c(C)c1CCN1[C@@H](CCn2c1nc(cc2=O)N1C[C@@H]2C[C@H]1CO2)C(F)(F)F |TLB:16:20:25.26:23|
Show InChI InChI=1S/C20H25F3N6O2/c1-11-15(12(2)26-25-11)3-5-27-16(20(21,22)23)4-6-28-18(30)8-17(24-19(27)28)29-9-14-7-13(29)10-31-14/h8,13-14,16H,3-7,9-10H2,1-2H3,(H,25,26)/t13-,14-,16-/m0/s1
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Sanofi

US Patent


Assay Description
The compounds according to the invention underwent pharmacological trials to measure the selectivity toward human lipid kinases and especially human ...


US Patent US9321790 (2016)


BindingDB Entry DOI: 10.7270/Q2KD1WSG
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM226267
PNG
(US9321790, 79)
Show SMILES C[C@]1(Cn2c(nc(cc2=O)N2CC3CCC(C2)O3)N1C[C@@H](O)c1ccccc1)C(F)(F)F |TLB:6:10:13.14:17|
Show InChI InChI=1S/C22H25F3N4O3/c1-21(22(23,24)25)13-28-19(31)9-18(27-10-15-7-8-16(11-27)32-15)26-20(28)29(21)12-17(30)14-5-3-2-4-6-14/h2-6,9,15-17,30H,7-8,10-13H2,1H3/t15?,16?,17-,21+/m1/s1
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Sanofi

US Patent


Assay Description
The compounds according to the invention underwent pharmacological trials to measure the selectivity toward human lipid kinases and especially human ...


US Patent US9321790 (2016)


BindingDB Entry DOI: 10.7270/Q2KD1WSG
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM226268
PNG
(US9321790, 80)
Show SMILES O[C@H](CN1[C@@H](CCn2c1nc(cc2=O)N1CC2CCC(C1)O2)C(F)(F)F)c1ccccc1 |TLB:10:14:17.18:21|
Show InChI InChI=1S/C22H25F3N4O3/c23-22(24,25)18-8-9-28-20(31)10-19(27-11-15-6-7-16(12-27)32-15)26-21(28)29(18)13-17(30)14-4-2-1-3-5-14/h1-5,10,15-18,30H,6-9,11-13H2/t15?,16?,17-,18+/m1/s1
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Sanofi

US Patent


Assay Description
The compounds according to the invention underwent pharmacological trials to measure the selectivity toward human lipid kinases and especially human ...


US Patent US9321790 (2016)


BindingDB Entry DOI: 10.7270/Q2KD1WSG
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM226293
PNG
(US9321790, 105)
Show SMILES OC1(CCN2[C@@H](CCn3c2nc(cc3=O)N2C[C@@H]3C[C@H]2CO3)C(F)(F)F)CC1 |TLB:11:15:20.21:18|
Show InChI InChI=1S/C18H23F3N4O3/c19-18(20,21)13-1-5-24-15(26)8-14(25-9-12-7-11(25)10-28-12)22-16(24)23(13)6-4-17(27)2-3-17/h8,11-13,27H,1-7,9-10H2/t11-,12-,13-/m0/s1
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Sanofi

US Patent


Assay Description
The compounds according to the invention underwent pharmacological trials to measure the selectivity toward human lipid kinases and especially human ...


US Patent US9321790 (2016)


BindingDB Entry DOI: 10.7270/Q2KD1WSG
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM226288
PNG
(US9321790, 100)
Show SMILES OC1(CCN2[C@@H](CCn3c2nc(cc3=O)N2C[C@@H]3C[C@H]2CO3)C(F)(F)F)CCCC1 |TLB:11:15:20.21:18|
Show InChI InChI=1S/C20H27F3N4O3/c21-20(22,23)15-3-7-26-17(28)10-16(27-11-14-9-13(27)12-30-14)24-18(26)25(15)8-6-19(29)4-1-2-5-19/h10,13-15,29H,1-9,11-12H2/t13-,14-,15-/m0/s1
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Sanofi

US Patent


Assay Description
The compounds according to the invention underwent pharmacological trials to measure the selectivity toward human lipid kinases and especially human ...


US Patent US9321790 (2016)


BindingDB Entry DOI: 10.7270/Q2KD1WSG
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM226214
PNG
(US9321790, 26)
Show SMILES Cc1ncsc1CCN1c2nc(cc(=O)n2CC1(C)C(F)(F)F)N1C[C@@H]2C[C@H]1CO2 |TLB:11:23:28.29:26|
Show InChI InChI=1S/C19H22F3N5O2S/c1-11-14(30-10-23-11)3-4-27-17-24-15(25-7-13-5-12(25)8-29-13)6-16(28)26(17)9-18(27,2)19(20,21)22/h6,10,12-13H,3-5,7-9H2,1-2H3/t12-,13-,18?/m0/s1
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Sanofi

US Patent


Assay Description
The compounds according to the invention underwent pharmacological trials to measure the selectivity toward human lipid kinases and especially human ...


US Patent US9321790 (2016)


BindingDB Entry DOI: 10.7270/Q2KD1WSG
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM226269
PNG
(US9321790, 81)
Show SMILES COc1ccc(CCN2[C@@H](CCn3c2nc(cc3=O)N2CC3CCC(C2)O3)C(F)(F)F)cc1 |TLB:15:19:22.23:26|
Show InChI InChI=1S/C23H27F3N4O3/c1-32-16-4-2-15(3-5-16)8-10-29-19(23(24,25)26)9-11-30-21(31)12-20(27-22(29)30)28-13-17-6-7-18(14-28)33-17/h2-5,12,17-19H,6-11,13-14H2,1H3/t17?,18?,19-/m0/s1
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Sanofi

US Patent


Assay Description
The compounds according to the invention underwent pharmacological trials to measure the selectivity toward human lipid kinases and especially human ...


US Patent US9321790 (2016)


BindingDB Entry DOI: 10.7270/Q2KD1WSG
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM226242
PNG
(US9321790, 54)
Show SMILES CCC(O)(CC)CN1[C@@H](CCn2c1nc(cc2=O)N1C[C@@H]2C[C@H]1CO2)C(F)(F)F |TLB:14:18:23.24:21|
Show InChI InChI=1S/C19H27F3N4O3/c1-3-18(28,4-2)11-26-14(19(20,21)22)5-6-24-16(27)8-15(23-17(24)26)25-9-13-7-12(25)10-29-13/h8,12-14,28H,3-7,9-11H2,1-2H3/t12-,13-,14-/m0/s1
PDB

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Sanofi

US Patent


Assay Description
The compounds according to the invention underwent pharmacological trials to measure the selectivity toward human lipid kinases and especially human ...


US Patent US9321790 (2016)


BindingDB Entry DOI: 10.7270/Q2KD1WSG
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM226216
PNG
(US9321790, 28)
Show SMILES Cc1n[nH]c(C)c1CCN1c2nc(cc(=O)n2CC1(C)C(F)(F)F)N1C[C@@H]2C[C@H]1CO2 |TLB:12:24:29.30:27|
Show InChI InChI=1S/C20H25F3N6O2/c1-11-15(12(2)26-25-11)4-5-29-18-24-16(27-8-14-6-13(27)9-31-14)7-17(30)28(18)10-19(29,3)20(21,22)23/h7,13-14H,4-6,8-10H2,1-3H3,(H,25,26)/t13-,14-,19?/m0/s1
PDB

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Sanofi

US Patent


Assay Description
The compounds according to the invention underwent pharmacological trials to measure the selectivity toward human lipid kinases and especially human ...


US Patent US9321790 (2016)


BindingDB Entry DOI: 10.7270/Q2KD1WSG
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM226278
PNG
(US9321790, 90)
Show SMILES FC(F)(F)C1CCn2c(nc(cc2=O)N2C[C@@H]3C[C@H]2CO3)N1CCC1CCN(CC1)C=O |THB:10:14:20.19:17|
Show InChI InChI=1S/C21H28F3N5O3/c22-21(23,24)17-4-8-28-19(31)10-18(29-11-16-9-15(29)12-32-16)25-20(28)27(17)7-3-14-1-5-26(13-30)6-2-14/h10,13-17H,1-9,11-12H2/t15-,16-,17?/m0/s1
PDB

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Sanofi

US Patent


Assay Description
The compounds according to the invention underwent pharmacological trials to measure the selectivity toward human lipid kinases and especially human ...


US Patent US9321790 (2016)


BindingDB Entry DOI: 10.7270/Q2KD1WSG
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM226212
PNG
(US9321790, 24)
Show SMILES CCNC(=O)Nc1ccc(CCN2c3nc(cc(=O)n3C[C@@]2(C)C(F)(F)F)N2C[C@@H]3C[C@H]2CO3)cc1 |TLB:15:27:32.33:30|
Show InChI InChI=1S/C24H29F3N6O3/c1-3-28-21(35)29-16-6-4-15(5-7-16)8-9-33-22-30-19(31-12-18-10-17(31)13-36-18)11-20(34)32(22)14-23(33,2)24(25,26)27/h4-7,11,17-18H,3,8-10,12-14H2,1-2H3,(H2,28,29,35)/t17-,18-,23-/m0/s1
PDB

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Sanofi

US Patent


Assay Description
The compounds according to the invention underwent pharmacological trials to measure the selectivity toward human lipid kinases and especially human ...


US Patent US9321790 (2016)


BindingDB Entry DOI: 10.7270/Q2KD1WSG
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM226261
PNG
(US9321790, 73)
Show SMILES FC(F)(F)[C@@H]1CCn2c(nc(cc2=O)N2CC3CCC(C2)O3)N1CC(=O)c1ccccc1 |TLB:10:14:17.18:21|
Show InChI InChI=1S/C22H23F3N4O3/c23-22(24,25)18-8-9-28-20(31)10-19(27-11-15-6-7-16(12-27)32-15)26-21(28)29(18)13-17(30)14-4-2-1-3-5-14/h1-5,10,15-16,18H,6-9,11-13H2/t15?,16?,18-/m0/s1
PDB

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Sanofi

US Patent


Assay Description
The compounds according to the invention underwent pharmacological trials to measure the selectivity toward human lipid kinases and especially human ...


US Patent US9321790 (2016)


BindingDB Entry DOI: 10.7270/Q2KD1WSG
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM226290
PNG
(US9321790, 102)
Show SMILES OC(CCN1[C@@H](CCn2c1nc(cc2=O)N1C[C@@H]2C[C@H]1CO2)C(F)(F)F)(C1CC1)C1CC1 |TLB:11:15:20.21:18|
Show InChI InChI=1S/C22H29F3N4O3/c23-22(24,25)17-5-7-28-19(30)10-18(29-11-16-9-15(29)12-32-16)26-20(28)27(17)8-6-21(31,13-1-2-13)14-3-4-14/h10,13-17,31H,1-9,11-12H2/t15-,16-,17-/m0/s1
PDB

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Sanofi

US Patent


Assay Description
The compounds according to the invention underwent pharmacological trials to measure the selectivity toward human lipid kinases and especially human ...


US Patent US9321790 (2016)


BindingDB Entry DOI: 10.7270/Q2KD1WSG
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM226237
PNG
(US9321790, 49)
Show SMILES CCC(O)(CC)CCN1[C@@H](CCn2c1nc(cc2=O)N1C[C@@H]2C[C@H]1CO2)C(F)(F)F |TLB:15:19:24.25:22|
Show InChI InChI=1S/C20H29F3N4O3/c1-3-19(29,4-2)6-8-25-15(20(21,22)23)5-7-26-17(28)10-16(24-18(25)26)27-11-14-9-13(27)12-30-14/h10,13-15,29H,3-9,11-12H2,1-2H3/t13-,14-,15-/m0/s1
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Sanofi

US Patent


Assay Description
The compounds according to the invention underwent pharmacological trials to measure the selectivity toward human lipid kinases and especially human ...


US Patent US9321790 (2016)


BindingDB Entry DOI: 10.7270/Q2KD1WSG
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM226277
PNG
(US9321790, 89)
Show SMILES CC(=O)N1CCC(CCN2[C@@H](CCn3c2nc(cc3=O)N2C[C@@H]3C[C@H]2CO3)C(F)(F)F)CC1 |TLB:16:20:25.26:23|
Show InChI InChI=1S/C22H30F3N5O3/c1-14(31)27-6-2-15(3-7-27)4-8-28-18(22(23,24)25)5-9-29-20(32)11-19(26-21(28)29)30-12-17-10-16(30)13-33-17/h11,15-18H,2-10,12-13H2,1H3/t16-,17-,18-/m0/s1
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Sanofi

US Patent


Assay Description
The compounds according to the invention underwent pharmacological trials to measure the selectivity toward human lipid kinases and especially human ...


US Patent US9321790 (2016)


BindingDB Entry DOI: 10.7270/Q2KD1WSG
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM226200
PNG
(US9321790, 12)
Show SMILES FC(F)(F)C1CCn2c(nc(cc2=O)N2C[C@@H]3C[C@H]2CO3)N1CCc1cccnc1 |THB:10:14:20.19:17|
Show InChI InChI=1S/C20H22F3N5O2/c21-20(22,23)16-4-7-27-18(29)9-17(28-11-15-8-14(28)12-30-15)25-19(27)26(16)6-3-13-2-1-5-24-10-13/h1-2,5,9-10,14-16H,3-4,6-8,11-12H2/t14-,15-,16?/m0/s1
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Sanofi

US Patent


Assay Description
The compounds according to the invention underwent pharmacological trials to measure the selectivity toward human lipid kinases and especially human ...


US Patent US9321790 (2016)


BindingDB Entry DOI: 10.7270/Q2KD1WSG
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM226189
PNG
(US9321790, 1)
Show SMILES CC(C)(CN1[C@@H](CCn2c1nc(cc2=O)N1C[C@@H]2C[C@H]1CO2)C(F)(F)F)c1ccncc1 |TLB:11:15:20.21:18|
Show InChI InChI=1S/C22H26F3N5O2/c1-21(2,14-3-6-26-7-4-14)13-30-17(22(23,24)25)5-8-28-19(31)10-18(27-20(28)30)29-11-16-9-15(29)12-32-16/h3-4,6-7,10,15-17H,5,8-9,11-13H2,1-2H3/t15-,16-,17-/m0/s1
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Sanofi

US Patent


Assay Description
The compounds according to the invention underwent pharmacological trials to measure the selectivity toward human lipid kinases and especially human ...


US Patent US9321790 (2016)


BindingDB Entry DOI: 10.7270/Q2KD1WSG
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM226220
PNG
(US9321790, 32)
Show SMILES CC1(Cn2c(nc(cc2=O)N2C[C@@H]3C[C@H]2CO3)N1CCc1ccc(N)cc1)C(F)(F)F |TLB:6:10:15.16:13|
Show InChI InChI=1S/C21H24F3N5O2/c1-20(21(22,23)24)12-28-18(30)9-17(27-10-16-8-15(27)11-31-16)26-19(28)29(20)7-6-13-2-4-14(25)5-3-13/h2-5,9,15-16H,6-8,10-12,25H2,1H3/t15-,16-,20?/m0/s1
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Sanofi

US Patent


Assay Description
The compounds according to the invention underwent pharmacological trials to measure the selectivity toward human lipid kinases and especially human ...


US Patent US9321790 (2016)


BindingDB Entry DOI: 10.7270/Q2KD1WSG
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM226255
PNG
(US9321790, 67)
Show SMILES FC(F)(F)[C@@H]1CCn2c(nc(cc2=O)N2C[C@@H]3C[C@H]2CO3)N1CC(=O)C1CC1 |TLB:10:14:19.20:17|
Show InChI InChI=1S/C18H21F3N4O3/c19-18(20,21)14-3-4-23-16(27)6-15(24-7-12-5-11(24)9-28-12)22-17(23)25(14)8-13(26)10-1-2-10/h6,10-12,14H,1-5,7-9H2/t11-,12-,14-/m0/s1
PDB

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Sanofi

US Patent


Assay Description
The compounds according to the invention underwent pharmacological trials to measure the selectivity toward human lipid kinases and especially human ...


US Patent US9321790 (2016)


BindingDB Entry DOI: 10.7270/Q2KD1WSG
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM226229
PNG
(US9321790, 41)
Show SMILES FC(F)(F)[C@@H]1CCn2c(nc(cc2=O)N2C[C@@H]3C[C@H]2CO3)N1CC(=O)c1ccc(cc1)N1CCOCC1 |TLB:10:14:19.20:17|
Show InChI InChI=1S/C25H28F3N5O4/c26-25(27,28)21-5-6-31-23(35)12-22(32-13-19-11-18(32)15-37-19)29-24(31)33(21)14-20(34)16-1-3-17(4-2-16)30-7-9-36-10-8-30/h1-4,12,18-19,21H,5-11,13-15H2/t18-,19-,21-/m0/s1
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Sanofi

US Patent


Assay Description
The compounds according to the invention underwent pharmacological trials to measure the selectivity toward human lipid kinases and especially human ...


US Patent US9321790 (2016)


BindingDB Entry DOI: 10.7270/Q2KD1WSG
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM226238
PNG
(US9321790, 50)
Show SMILES CC(C)(O)CCN1[C@@H](CCn2c1nc(cc2=O)N1C[C@@H]2C[C@H]1CO2)C(F)(F)F |TLB:13:17:22.23:20|
Show InChI InChI=1S/C18H25F3N4O3/c1-17(2,27)4-6-23-13(18(19,20)21)3-5-24-15(26)8-14(22-16(23)24)25-9-12-7-11(25)10-28-12/h8,11-13,27H,3-7,9-10H2,1-2H3/t11-,12-,13-/m0/s1
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Sanofi

US Patent


Assay Description
The compounds according to the invention underwent pharmacological trials to measure the selectivity toward human lipid kinases and especially human ...


US Patent US9321790 (2016)


BindingDB Entry DOI: 10.7270/Q2KD1WSG
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM226201
PNG
(US9321790, 13)
Show SMILES CC1(Cn2c(nc(cc2=O)N2C[C@@H]3C[C@H]2CO3)N1CCc1cccnc1)C(F)(F)F |TLB:6:10:15.16:13|
Show InChI InChI=1S/C20H22F3N5O2/c1-19(20(21,22)23)12-27-17(29)8-16(26-10-15-7-14(26)11-30-15)25-18(27)28(19)6-4-13-3-2-5-24-9-13/h2-3,5,8-9,14-15H,4,6-7,10-12H2,1H3/t14-,15-,19?/m0/s1
PDB

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Sanofi

US Patent


Assay Description
The compounds according to the invention underwent pharmacological trials to measure the selectivity toward human lipid kinases and especially human ...


US Patent US9321790 (2016)


BindingDB Entry DOI: 10.7270/Q2KD1WSG
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM226226
PNG
(US9321790, 38)
Show SMILES FC(F)(F)[C@@H]1CCn2c(nc(cc2=O)N2C[C@@H]3C[C@H]2CO3)N1CC(=O)c1cnc2NCCOc2c1 |TLB:10:14:19.20:17|
Show InChI InChI=1S/C22H23F3N6O4/c23-22(24,25)17-1-3-29-19(33)7-18(30-9-14-6-13(30)11-35-14)28-21(29)31(17)10-15(32)12-5-16-20(27-8-12)26-2-4-34-16/h5,7-8,13-14,17H,1-4,6,9-11H2,(H,26,27)/t13-,14-,17-/m0/s1
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Sanofi

US Patent


Assay Description
The compounds according to the invention underwent pharmacological trials to measure the selectivity toward human lipid kinases and especially human ...


US Patent US9321790 (2016)


BindingDB Entry DOI: 10.7270/Q2KD1WSG
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM226219
PNG
(US9321790, 31)
Show SMILES Cc1cc(cnc1N)C(=O)CN1[C@@H](CCn2c1nc(cc2=O)N1C[C@@H]2C[C@H]1CO2)C(F)(F)F |TLB:18:22:27.28:25|
Show InChI InChI=1S/C21H23F3N6O3/c1-11-4-12(7-26-19(11)25)15(31)9-30-16(21(22,23)24)2-3-28-18(32)6-17(27-20(28)30)29-8-14-5-13(29)10-33-14/h4,6-7,13-14,16H,2-3,5,8-10H2,1H3,(H2,25,26)/t13-,14-,16-/m0/s1
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Sanofi

US Patent


Assay Description
The compounds according to the invention underwent pharmacological trials to measure the selectivity toward human lipid kinases and especially human ...


US Patent US9321790 (2016)


BindingDB Entry DOI: 10.7270/Q2KD1WSG
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM226246
PNG
(US9321790, 58)
Show SMILES COC(=O)Nc1ccc(cn1)C(=O)CN1C(CCn2c1nc(cc2=O)N1C[C@@H]2C[C@H]1CO2)C(F)(F)F |TLB:21:25:30.31:28|
Show InChI InChI=1S/C22H23F3N6O5/c1-35-21(34)27-17-3-2-12(8-26-17)15(32)10-31-16(22(23,24)25)4-5-29-19(33)7-18(28-20(29)31)30-9-14-6-13(30)11-36-14/h2-3,7-8,13-14,16H,4-6,9-11H2,1H3,(H,26,27,34)/t13-,14-,16?/m0/s1
PDB

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Sanofi

US Patent


Assay Description
The compounds according to the invention underwent pharmacological trials to measure the selectivity toward human lipid kinases and especially human ...


US Patent US9321790 (2016)


BindingDB Entry DOI: 10.7270/Q2KD1WSG
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM226256
PNG
(US9321790, 68)
Show SMILES FC(F)(F)C1CCn2c(nc(cc2=O)N2C[C@@H]3C[C@H]2CO3)N1CC(=O)c1ccccn1 |THB:10:14:20.19:17|
Show InChI InChI=1S/C20H20F3N5O3/c21-20(22,23)16-4-6-26-18(30)8-17(27-9-13-7-12(27)11-31-13)25-19(26)28(16)10-15(29)14-3-1-2-5-24-14/h1-3,5,8,12-13,16H,4,6-7,9-11H2/t12-,13-,16?/m0/s1
PDB

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Sanofi

US Patent


Assay Description
The compounds according to the invention underwent pharmacological trials to measure the selectivity toward human lipid kinases and especially human ...


US Patent US9321790 (2016)


BindingDB Entry DOI: 10.7270/Q2KD1WSG
More data for this
Ligand-Target Pair
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