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Found 774 hits with Last Name = 'purvis, ii' and Initial = 'lj'   
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 delta isoform


(Homo sapiens (Human))
BDBM50168297
PNG
(CHEMBL3805760 | US9765060, Compound 96)
Show SMILES C[C@H](Nc1nc(N)nc(C)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C22H18ClN7O/c1-12-15(11-24)19(29-22(25)27-12)26-13(2)20-28-17-10-6-9-16(23)18(17)21(31)30(20)14-7-4-3-5-8-14/h3-10,13H,1-2H3,(H3,25,26,27,29)/t13-/m0/s1
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n/an/a 0.100n/an/an/an/an/an/a



GILEAD SCIENCES, INC.

US Patent


Assay Description
TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...


US Patent US9765060 (2017)


BindingDB Entry DOI: 10.7270/Q2DZ0BDH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM341173
PNG
((S)-2,4-diamino-6-(((5-chloro-4-oxo-3-phenyl-3,4-d...)
Show SMILES Nc1nc(N)c(C#N)c(N[C@@H](c2ccccc2)c2nc3cccc(Cl)c3c(=O)n2-c2ccccc2)n1
Show InChI InChI=1S/C26H19ClN8O/c27-18-12-7-13-19-20(18)25(36)35(16-10-5-2-6-11-16)24(31-19)21(15-8-3-1-4-9-15)32-23-17(14-28)22(29)33-26(30)34-23/h1-13,21H,(H5,29,30,32,33,34)/t21-/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



GILEAD SCIENCES, INC.

US Patent


Assay Description
TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...


US Patent US9765060 (2017)


BindingDB Entry DOI: 10.7270/Q2DZ0BDH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50168484
PNG
(CHEMBL3805137 | US9765060, Compound Y)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C21H16ClN7O/c1-12(27-19-14(10-23)18(24)25-11-26-19)20-28-16-9-5-8-15(22)17(16)21(30)29(20)13-6-3-2-4-7-13/h2-9,11-12H,1H3,(H3,24,25,26,27)/t12-/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



GILEAD SCIENCES, INC.

US Patent


Assay Description
TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...


US Patent US9765060 (2017)


BindingDB Entry DOI: 10.7270/Q2DZ0BDH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM341280
PNG
(N-((3R,5S)-5-(5-chloro-4-oxo-3-phenyl-3,4-dihydroq...)
Show SMILES Nc1nc(N)c(C#N)c(n1)N1C[C@@H](C[C@H]1c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1)NC(=O)C(F)F
Show InChI InChI=1S/C25H20ClF2N9O2/c26-15-7-4-8-16-18(15)24(39)37(13-5-2-1-3-6-13)22(33-16)17-9-12(32-23(38)19(27)28)11-36(17)21-14(10-29)20(30)34-25(31)35-21/h1-8,12,17,19H,9,11H2,(H,32,38)(H4,30,31,34,35)/t12-,17+/m1/s1
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n/an/a 0.400n/an/an/an/an/an/a



GILEAD SCIENCES, INC.

US Patent


Assay Description
TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...


US Patent US9765060 (2017)


BindingDB Entry DOI: 10.7270/Q2DZ0BDH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM341228
PNG
((S)-2,4-diamino-6-((1-(5-(3-(3,3-difluoropyrrolidi...)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(F)ccc(CCCN3CCC(F)(F)C3)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C28H28F3N9O/c1-16(35-24-19(14-32)23(33)37-27(34)38-24)25-36-22-20(29)10-9-17(6-5-12-39-13-11-28(30,31)15-39)21(22)26(41)40(25)18-7-3-2-4-8-18/h2-4,7-10,16H,5-6,11-13,15H2,1H3,(H5,33,34,35,37,38)/t16-/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



GILEAD SCIENCES, INC.

US Patent


Assay Description
TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...


US Patent US9765060 (2017)


BindingDB Entry DOI: 10.7270/Q2DZ0BDH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM341219
PNG
((S)-2,4-diamino-6-((1-(4-oxo-3-phenyl-5-(3-(piperi...)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(CCCN3CCCCC3)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C29H33N9O/c1-19(33-26-22(18-30)25(31)35-29(32)36-26)27-34-23-14-8-10-20(11-9-17-37-15-6-3-7-16-37)24(23)28(39)38(27)21-12-4-2-5-13-21/h2,4-5,8,10,12-14,19H,3,6-7,9,11,15-17H2,1H3,(H5,31,32,33,35,36)/t19-/m0/s1
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GILEAD SCIENCES, INC.

US Patent


Assay Description
TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...


US Patent US9765060 (2017)


BindingDB Entry DOI: 10.7270/Q2DZ0BDH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM341221
PNG
((S)-2,4-diamino-6-((1-(5-(3-(4,4-difluoropiperidin...)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(CCCN3CCC(F)(F)CC3)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C29H31F2N9O/c1-18(35-25-21(17-32)24(33)37-28(34)38-25)26-36-22-11-5-7-19(8-6-14-39-15-12-29(30,31)13-16-39)23(22)27(41)40(26)20-9-3-2-4-10-20/h2-5,7,9-11,18H,6,8,12-16H2,1H3,(H5,33,34,35,37,38)/t18-/m0/s1
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GILEAD SCIENCES, INC.

US Patent


Assay Description
TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...


US Patent US9765060 (2017)


BindingDB Entry DOI: 10.7270/Q2DZ0BDH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM341211
PNG
((S)-3-(2-(1-((2,6-diamino-5-cyanopyrimidin-4-yl)am...)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(F)ccc(CCC(N)=O)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C24H22FN9O2/c1-12(30-21-15(11-26)20(28)32-24(29)33-21)22-31-19-16(25)9-7-13(8-10-17(27)35)18(19)23(36)34(22)14-5-3-2-4-6-14/h2-7,9,12H,8,10H2,1H3,(H2,27,35)(H5,28,29,30,32,33)/t12-/m0/s1
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GILEAD SCIENCES, INC.

US Patent


Assay Description
TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...


US Patent US9765060 (2017)


BindingDB Entry DOI: 10.7270/Q2DZ0BDH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM341227
PNG
((S)-2,4-diamino-6-((1-(4-oxo-3-phenyl-5-(3-(2,2,6,...)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(CCCN3CC(F)(F)OC(F)(F)C3)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C28H27F4N9O2/c1-16(36-23-19(13-33)22(34)38-26(35)39-23)24-37-20-11-5-7-17(21(20)25(42)41(24)18-9-3-2-4-10-18)8-6-12-40-14-27(29,30)43-28(31,32)15-40/h2-5,7,9-11,16H,6,8,12,14-15H2,1H3,(H5,34,35,36,38,39)/t16-/m0/s1
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GILEAD SCIENCES, INC.

US Patent


Assay Description
TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...


US Patent US9765060 (2017)


BindingDB Entry DOI: 10.7270/Q2DZ0BDH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM341210
PNG
((S)-3-(2-(1-((2,6-diamino-5-cyanopyrimidin-4-yl)am...)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(CCC(N)=O)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C24H23N9O2/c1-13(29-21-16(12-25)20(27)31-24(28)32-21)22-30-17-9-5-6-14(10-11-18(26)34)19(17)23(35)33(22)15-7-3-2-4-8-15/h2-9,13H,10-11H2,1H3,(H2,26,34)(H5,27,28,29,31,32)/t13-/m0/s1
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GILEAD SCIENCES, INC.

US Patent


Assay Description
TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...


US Patent US9765060 (2017)


BindingDB Entry DOI: 10.7270/Q2DZ0BDH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM341270
PNG
((S)-2-(1-((2-amino-5-iodo-6-methylpyrimidin-4-yl)a...)
Show SMILES C[C@H](Nc1nc(N)nc(C)c1I)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C21H18ClIN6O/c1-11-17(23)18(28-21(24)26-11)25-12(2)19-27-15-10-6-9-14(22)16(15)20(30)29(19)13-7-4-3-5-8-13/h3-10,12H,1-2H3,(H3,24,25,26,28)/t12-/m0/s1
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GILEAD SCIENCES, INC.

US Patent


Assay Description
TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...


US Patent US9765060 (2017)


BindingDB Entry DOI: 10.7270/Q2DZ0BDH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM341234
PNG
((S)-2,4-diamino-6-((1-(5-(3-morpholinopropyl)-4-ox...)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(CCCN3CCOCC3)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C28H31N9O2/c1-18(32-25-21(17-29)24(30)34-28(31)35-25)26-33-22-11-5-7-19(8-6-12-36-13-15-39-16-14-36)23(22)27(38)37(26)20-9-3-2-4-10-20/h2-5,7,9-11,18H,6,8,12-16H2,1H3,(H5,30,31,32,34,35)/t18-/m0/s1
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GILEAD SCIENCES, INC.

US Patent


Assay Description
TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...


US Patent US9765060 (2017)


BindingDB Entry DOI: 10.7270/Q2DZ0BDH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM341239
PNG
((S)-2-amino-4-chloro-6-((1-(5-chloro-8-fluoro-4-ox...)
Show SMILES C[C@H](Nc1nc(N)nc(Cl)c1C#N)c1nc2c(F)ccc(Cl)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C21H14Cl2FN7O/c1-10(27-18-12(9-25)17(23)29-21(26)30-18)19-28-16-14(24)8-7-13(22)15(16)20(32)31(19)11-5-3-2-4-6-11/h2-8,10H,1H3,(H3,26,27,29,30)/t10-/m0/s1
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GILEAD SCIENCES, INC.

US Patent


Assay Description
TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...


US Patent US9765060 (2017)


BindingDB Entry DOI: 10.7270/Q2DZ0BDH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM341282
PNG
(N-((3R,5S)-5-(5-chloro-3-(3,5-difluorophenyl)-4-ox...)
Show SMILES Nc1nc(N)c(C#N)c(n1)N1C[C@@H](C[C@H]1c1nc2cccc(Cl)c2c(=O)n1-c1cc(F)cc(F)c1)NC(=O)C(F)F
Show InChI InChI=1S/C25H18ClF4N9O2/c26-15-2-1-3-16-18(15)24(41)39(13-5-10(27)4-11(28)6-13)22(35-16)17-7-12(34-23(40)19(29)30)9-38(17)21-14(8-31)20(32)36-25(33)37-21/h1-6,12,17,19H,7,9H2,(H,34,40)(H4,32,33,36,37)/t12-,17+/m1/s1
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GILEAD SCIENCES, INC.

US Patent


Assay Description
TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...


US Patent US9765060 (2017)


BindingDB Entry DOI: 10.7270/Q2DZ0BDH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM341226
PNG
((S)-2,4-diamino-6-((1-(5-(3-(3,3-dimethylmorpholin...)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(CCCN3CCOCC3(C)C)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C30H35N9O2/c1-19(34-26-22(17-31)25(32)36-29(33)37-26)27-35-23-13-7-9-20(10-8-14-38-15-16-41-18-30(38,2)3)24(23)28(40)39(27)21-11-5-4-6-12-21/h4-7,9,11-13,19H,8,10,14-16,18H2,1-3H3,(H5,32,33,34,36,37)/t19-/m0/s1
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GILEAD SCIENCES, INC.

US Patent


Assay Description
TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...


US Patent US9765060 (2017)


BindingDB Entry DOI: 10.7270/Q2DZ0BDH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM341225
PNG
((S)-2,4-diamino-6-((1-(5-(3-(2,2-dimethylmorpholin...)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(CCCN3CCOC(C)(C)C3)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C30H35N9O2/c1-19(34-26-22(17-31)25(32)36-29(33)37-26)27-35-23-13-7-9-20(10-8-14-38-15-16-41-30(2,3)18-38)24(23)28(40)39(27)21-11-5-4-6-12-21/h4-7,9,11-13,19H,8,10,14-16,18H2,1-3H3,(H5,32,33,34,36,37)/t19-/m0/s1
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GILEAD SCIENCES, INC.

US Patent


Assay Description
TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...


US Patent US9765060 (2017)


BindingDB Entry DOI: 10.7270/Q2DZ0BDH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM341218
PNG
((S)-2,4-diamino-6-((1-(4-oxo-3-phenyl-5-(2-(pyrrol...)
Show SMILES C[C@@H](Cc1cccc2nc(C(C)Nc3nc(N)nc(N)c3C#N)n(-c3ccccc3)c(=O)c12)N1CCCC1
Show InChI InChI=1S/C28H31N9O/c1-17(36-13-6-7-14-36)15-19-9-8-12-22-23(19)27(38)37(20-10-4-3-5-11-20)26(33-22)18(2)32-25-21(16-29)24(30)34-28(31)35-25/h3-5,8-12,17-18H,6-7,13-15H2,1-2H3,(H5,30,31,32,34,35)/t17-,18?/m0/s1
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n/an/a 0.700n/an/an/an/an/an/a



GILEAD SCIENCES, INC.

US Patent


Assay Description
TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...


US Patent US9765060 (2017)


BindingDB Entry DOI: 10.7270/Q2DZ0BDH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM341279
PNG
((S)-4-amino-6-((1-(5-chloro-4-oxo-3-phenyl-3,4-dih...)
Show SMILES C[C@H](Nc1nc(F)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C21H15ClFN7O/c1-11(26-18-13(10-24)17(25)28-21(23)29-18)19-27-15-9-5-8-14(22)16(15)20(31)30(19)12-6-3-2-4-7-12/h2-9,11H,1H3,(H3,25,26,28,29)/t11-/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



GILEAD SCIENCES, INC.

US Patent


Assay Description
TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...


US Patent US9765060 (2017)


BindingDB Entry DOI: 10.7270/Q2DZ0BDH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM341235
PNG
((S)-4-((1-(5-(3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)...)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(CCCN3CC4(COC4)C3)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C29H31N9O2/c1-18(33-25-21(13-30)24(31)35-28(32)36-25)26-34-22-11-5-7-19(8-6-12-37-14-29(15-37)16-40-17-29)23(22)27(39)38(26)20-9-3-2-4-10-20/h2-5,7,9-11,18H,6,8,12,14-17H2,1H3,(H5,31,32,33,35,36)/t18-/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



GILEAD SCIENCES, INC.

US Patent


Assay Description
TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...


US Patent US9765060 (2017)


BindingDB Entry DOI: 10.7270/Q2DZ0BDH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM341236
PNG
((S)-4-((1-(5-(3-(2-oxa-6-azaspiro[3.4]octan-6-yl)p...)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(CCCN3CCC4(COC4)C3)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C30H33N9O2/c1-19(34-26-22(15-31)25(32)36-29(33)37-26)27-35-23-11-5-7-20(8-6-13-38-14-12-30(16-38)17-41-18-30)24(23)28(40)39(27)21-9-3-2-4-10-21/h2-5,7,9-11,19H,6,8,12-14,16-18H2,1H3,(H5,32,33,34,36,37)/t19-/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



GILEAD SCIENCES, INC.

US Patent


Assay Description
TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...


US Patent US9765060 (2017)


BindingDB Entry DOI: 10.7270/Q2DZ0BDH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM341286
PNG
(N-((3R,5S)-5-(5-chloro-4-oxo-3-phenyl-3,4-dihydroq...)
Show SMILES Nc1nc(N)c(C#N)c(n1)N1C[C@@H](C[C@H]1c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1)NC(=O)CC1CC1
Show InChI InChI=1S/C28H26ClN9O2/c29-19-7-4-8-20-23(19)27(40)38(17-5-2-1-3-6-17)26(34-20)21-12-16(33-22(39)11-15-9-10-15)14-37(21)25-18(13-30)24(31)35-28(32)36-25/h1-8,15-16,21H,9-12,14H2,(H,33,39)(H4,31,32,35,36)/t16-,21+/m1/s1
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n/an/a 0.900n/an/an/an/an/an/a



GILEAD SCIENCES, INC.

US Patent


Assay Description
TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...


US Patent US9765060 (2017)


BindingDB Entry DOI: 10.7270/Q2DZ0BDH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50168296
PNG
(CHEMBL3805180 | US9765060, Compound 101)
Show SMILES C[C@H](Nc1nc(N)nc(Cl)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C21H15Cl2N7O/c1-11(26-18-13(10-24)17(23)28-21(25)29-18)19-27-15-9-5-8-14(22)16(15)20(31)30(19)12-6-3-2-4-7-12/h2-9,11H,1H3,(H3,25,26,28,29)/t11-/m0/s1
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US Patent
n/an/a 1n/an/an/an/an/an/a



GILEAD SCIENCES, INC.

US Patent


Assay Description
TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...


US Patent US9765060 (2017)


BindingDB Entry DOI: 10.7270/Q2DZ0BDH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM208929
PNG
(US9266878, 155a)
Show SMILES C[C@H](Nc1ncnc(N)c1C#Cc1cccc(CO)n1)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C28H22ClN7O2/c1-17(33-26-21(25(30)31-16-32-26)14-13-18-7-5-8-19(15-37)34-18)27-35-23-12-6-11-22(29)24(23)28(38)36(27)20-9-3-2-4-10-20/h2-12,16-17,37H,15H2,1H3,(H3,30,31,32,33)/t17-/m0/s1
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n/an/a>1n/an/an/an/a7.425



Gilead Calistoga LLC

US Patent


Assay Description
PI3K isoforms were assayed under initial rate conditions in the presence of 25 mM Hepes (pH 7.4), and 2xKm ATP (100-300 uM), 10 uM PIP2, 5% glycerol,...


US Patent US9266878 (2016)


BindingDB Entry DOI: 10.7270/Q28K77W5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM341242
PNG
((S)-4-(2-(1-((2,6-diamino-5-cyanopyrimidin-4-yl)am...)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(CCCC(O)=O)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C25H24N8O3/c1-14(29-22-17(13-26)21(27)31-25(28)32-22)23-30-18-11-5-7-15(8-6-12-19(34)35)20(18)24(36)33(23)16-9-3-2-4-10-16/h2-5,7,9-11,14H,6,8,12H2,1H3,(H,34,35)(H5,27,28,29,31,32)/t14-/m0/s1
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GILEAD SCIENCES, INC.

US Patent


Assay Description
TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...


US Patent US9765060 (2017)


BindingDB Entry DOI: 10.7270/Q2DZ0BDH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50168472
PNG
(CHEMBL3805348 | US9765060, Compound X)
Show SMILES C[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C21H16ClN7O/c1-12(27-19-17-18(24-10-23-17)25-11-26-19)20-28-15-9-5-8-14(22)16(15)21(30)29(20)13-6-3-2-4-7-13/h2-12H,1H3,(H2,23,24,25,26,27)/t12-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



GILEAD SCIENCES, INC.

US Patent


Assay Description
TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...


US Patent US9765060 (2017)


BindingDB Entry DOI: 10.7270/Q2DZ0BDH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM341183
PNG
((S)-2,4-diamino-6-(((5-chloro-3-(3,5-difluoropheny...)
Show SMILES Nc1nc(N)c(C#N)c(N[C@@H](C2CC2)c2nc3cccc(Cl)c3c(=O)n2-c2cc(F)cc(F)c2)n1
Show InChI InChI=1S/C23H17ClF2N8O/c24-15-2-1-3-16-17(15)22(35)34(13-7-11(25)6-12(26)8-13)21(30-16)18(10-4-5-10)31-20-14(9-27)19(28)32-23(29)33-20/h1-3,6-8,10,18H,4-5H2,(H5,28,29,31,32,33)/t18-/m0/s1
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GILEAD SCIENCES, INC.

US Patent


Assay Description
TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...


US Patent US9765060 (2017)


BindingDB Entry DOI: 10.7270/Q2DZ0BDH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM341182
PNG
((S)-2,4-diamino-6-((cyclopropyl(3-(3,5-difluorophe...)
Show SMILES Cc1cccc2nc([C@@H](Nc3nc(N)nc(N)c3C#N)C3CC3)n(-c3cc(F)cc(F)c3)c(=O)c12
Show InChI InChI=1S/C24H20F2N8O/c1-11-3-2-4-17-18(11)23(35)34(15-8-13(25)7-14(26)9-15)22(30-17)19(12-5-6-12)31-21-16(10-27)20(28)32-24(29)33-21/h2-4,7-9,12,19H,5-6H2,1H3,(H5,28,29,31,32,33)/t19-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



GILEAD SCIENCES, INC.

US Patent


Assay Description
TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...


US Patent US9765060 (2017)


BindingDB Entry DOI: 10.7270/Q2DZ0BDH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM341248
PNG
((S)-2,4-diamino-6-(2-(3-(2,6-difluorophenyl)-5-(me...)
Show SMILES CS(=O)(=O)c1cccc2nc([C@@H]3CCCN3c3nc(N)nc(N)c3C#N)n(-c3c(F)cccc3F)c(=O)c12 |wD:11.10,(-3.59,6.38,;-3.59,4.84,;-2.05,4.84,;-5.13,4.84,;-3.59,3.3,;-4.92,2.53,;-4.92,.99,;-3.59,.22,;-2.26,.99,;-.92,.22,;.41,.99,;1.74,.22,;3.15,.85,;4.18,-.3,;3.41,-1.63,;1.9,-1.31,;.76,-2.34,;-.7,-1.86,;-1.85,-2.89,;-3.31,-2.42,;-1.53,-4.4,;-.06,-4.88,;.26,-6.38,;1.08,-3.85,;2.55,-4.32,;4.01,-4.8,;.41,2.53,;2.46,3.72,;3.8,2.95,;3.8,1.41,;5.13,3.72,;5.13,5.26,;3.8,6.03,;2.46,5.26,;1.13,6.03,;-.92,3.3,;-.92,4.84,;-2.26,2.53,)|
Show InChI InChI=1S/C24H20F2N8O3S/c1-38(36,37)17-9-3-7-15-18(17)23(35)34(19-13(25)5-2-6-14(19)26)22(30-15)16-8-4-10-33(16)21-12(11-27)20(28)31-24(29)32-21/h2-3,5-7,9,16H,4,8,10H2,1H3,(H4,28,29,31,32)/t16-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



GILEAD SCIENCES, INC.

US Patent


Assay Description
TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...


US Patent US9765060 (2017)


BindingDB Entry DOI: 10.7270/Q2DZ0BDH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM341249
PNG
((S)-2,4-diamino-6-((1-(3-(3-fluorophenyl)-4-oxo-5-...)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(c2c(=O)n1-c1cccc(F)c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C27H21FN8O3S/c1-15(32-24-19(14-29)23(30)34-27(31)35-24)25-33-20-11-6-12-21(40(38,39)18-9-3-2-4-10-18)22(20)26(37)36(25)17-8-5-7-16(28)13-17/h2-13,15H,1H3,(H5,30,31,32,34,35)/t15-/m0/s1
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GILEAD SCIENCES, INC.

US Patent


Assay Description
TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...


US Patent US9765060 (2017)


BindingDB Entry DOI: 10.7270/Q2DZ0BDH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM341223
PNG
((S)-2,4-diamino-6-((1-(8-fluoro-4-oxo-3-phenyl-5-(...)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(F)ccc(CCCN3CCCC3)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C28H30FN9O/c1-17(33-25-20(16-30)24(31)35-28(32)36-25)26-34-23-21(29)12-11-18(8-7-15-37-13-5-6-14-37)22(23)27(39)38(26)19-9-3-2-4-10-19/h2-4,9-12,17H,5-8,13-15H2,1H3,(H5,31,32,33,35,36)/t17-/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



GILEAD SCIENCES, INC.

US Patent


Assay Description
TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...


US Patent US9765060 (2017)


BindingDB Entry DOI: 10.7270/Q2DZ0BDH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM341230
PNG
((S)-2,4-diamino-6-((cyclopropyl(4-oxo-3-phenyl-5-(...)
Show SMILES Nc1nc(N)c(C#N)c(N[C@@H](C2CC2)c2nc3cccc(CCCN4CCCCC4)c3c(=O)n2-c2ccccc2)n1
Show InChI InChI=1S/C31H35N9O/c32-19-23-27(33)37-31(34)38-28(23)36-26(21-14-15-21)29-35-24-13-7-9-20(10-8-18-39-16-5-2-6-17-39)25(24)30(41)40(29)22-11-3-1-4-12-22/h1,3-4,7,9,11-13,21,26H,2,5-6,8,10,14-18H2,(H5,33,34,36,37,38)/t26-/m0/s1
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GILEAD SCIENCES, INC.

US Patent


Assay Description
TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...


US Patent US9765060 (2017)


BindingDB Entry DOI: 10.7270/Q2DZ0BDH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM341222
PNG
(2,4-diamino-6-(((1S)-1-(5-(3-(3,5-dimethylmorpholi...)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(CCCN3C(C)COCC3C)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C30H35N9O2/c1-18-16-41-17-19(2)38(18)14-8-10-21-9-7-13-24-25(21)29(40)39(22-11-5-4-6-12-22)28(35-24)20(3)34-27-23(15-31)26(32)36-30(33)37-27/h4-7,9,11-13,18-20H,8,10,14,16-17H2,1-3H3,(H5,32,33,34,36,37)/t18?,19?,20-/m0/s1
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GILEAD SCIENCES, INC.

US Patent


Assay Description
TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...


US Patent US9765060 (2017)


BindingDB Entry DOI: 10.7270/Q2DZ0BDH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM341180
PNG
((S)-3-(5-chloro-4-oxo-3-phenyl-3,4-dihydroquinazol...)
Show SMILES CN(C)C(=O)C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C24H22ClN9O2/c1-33(2)18(35)11-17(29-21-14(12-26)20(27)31-24(28)32-21)22-30-16-10-6-9-15(25)19(16)23(36)34(22)13-7-4-3-5-8-13/h3-10,17H,11H2,1-2H3,(H5,27,28,29,31,32)/t17-/m0/s1
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GILEAD SCIENCES, INC.

US Patent


Assay Description
TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...


US Patent US9765060 (2017)


BindingDB Entry DOI: 10.7270/Q2DZ0BDH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM341178
PNG
((S)-2-(cyclopropyl((2,6-diamino-5-cyanopyrimidin-4...)
Show SMILES Nc1nc(N)c(C#N)c(N[C@@H](C2CC2)c2nc3ccc(F)c(C#N)c3c(=O)n2-c2ccccc2)n1
Show InChI InChI=1S/C24H18FN9O/c25-16-8-9-17-18(14(16)10-26)23(35)34(13-4-2-1-3-5-13)22(30-17)19(12-6-7-12)31-21-15(11-27)20(28)32-24(29)33-21/h1-5,8-9,12,19H,6-7H2,(H5,28,29,31,32,33)/t19-/m0/s1
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GILEAD SCIENCES, INC.

US Patent


Assay Description
TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...


US Patent US9765060 (2017)


BindingDB Entry DOI: 10.7270/Q2DZ0BDH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM341283
PNG
(N-((3R,5S)-5-(5-chloro-3-(3-(difluorophenyl)-5-flu...)
Show SMILES Nc1nc(N)c(C#N)c(n1)N1C[C@@H](C[C@H]1c1nc2cccc(Cl)c2c(=O)n1-c1cc(F)cc(c1)-c1cccc(F)c1F)NC(=O)C(F)F
Show InChI InChI=1S/C31H21ClF5N9O2/c32-19-4-2-6-21-23(19)30(48)46(16-8-13(7-14(33)9-16)17-3-1-5-20(34)24(17)35)28(42-21)22-10-15(41-29(47)25(36)37)12-45(22)27-18(11-38)26(39)43-31(40)44-27/h1-9,15,22,25H,10,12H2,(H,41,47)(H4,39,40,43,44)/t15-,22+/m1/s1
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GILEAD SCIENCES, INC.

US Patent


Assay Description
TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...


US Patent US9765060 (2017)


BindingDB Entry DOI: 10.7270/Q2DZ0BDH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM341281
PNG
(N-((3S,5S)-5-(5-chloro-4-oxo-3-phenyl-3,4-dihydroq...)
Show SMILES Nc1nc(N)c(C#N)c(n1)N1C[C@H](C[C@H]1c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1)NC(=O)C(F)(F)F
Show InChI InChI=1S/C25H19ClF3N9O2/c26-15-7-4-8-16-18(15)22(39)38(13-5-2-1-3-6-13)21(34-16)17-9-12(33-23(40)25(27,28)29)11-37(17)20-14(10-30)19(31)35-24(32)36-20/h1-8,12,17H,9,11H2,(H,33,40)(H4,31,32,35,36)/t12-,17-/m0/s1
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GILEAD SCIENCES, INC.

US Patent


Assay Description
TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...


US Patent US9765060 (2017)


BindingDB Entry DOI: 10.7270/Q2DZ0BDH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM341278
PNG
((S)-2-amino-4-chloro-6-((1-(5-chloro-3-(3,5-difluo...)
Show SMILES C[C@H](Nc1nc(N)nc(Cl)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cc(F)cc(F)c1
Show InChI InChI=1S/C21H13Cl2F2N7O/c1-9(28-18-13(8-26)17(23)30-21(27)31-18)19-29-15-4-2-3-14(22)16(15)20(33)32(19)12-6-10(24)5-11(25)7-12/h2-7,9H,1H3,(H3,27,28,30,31)/t9-/m0/s1
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GILEAD SCIENCES, INC.

US Patent


Assay Description
TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...


US Patent US9765060 (2017)


BindingDB Entry DOI: 10.7270/Q2DZ0BDH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM341267
PNG
(2,4-diamino-6-((2S,4R)-2-(5-chloro-4-oxo-3-phenyl-...)
Show SMILES C[C@@H]1C[C@H](N(C1)c1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C24H21ClN8O/c1-13-10-18(32(12-13)21-15(11-26)20(27)30-24(28)31-21)22-29-17-9-5-8-16(25)19(17)23(34)33(22)14-6-3-2-4-7-14/h2-9,13,18H,10,12H2,1H3,(H4,27,28,30,31)/t13-,18+/m1/s1
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GILEAD SCIENCES, INC.

US Patent


Assay Description
TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...


US Patent US9765060 (2017)


BindingDB Entry DOI: 10.7270/Q2DZ0BDH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM341262
PNG
((S)-2-(1-(2,6-diamino-5-cyanopyrimidin-4-yl)pyrrol...)
Show SMILES Nc1nc(N)c(C#N)c(n1)N1CCC[C@H]1c1nc2cccc(C#N)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C24H19N9O/c25-12-14-6-4-9-17-19(14)23(34)33(15-7-2-1-3-8-15)22(29-17)18-10-5-11-32(18)21-16(13-26)20(27)30-24(28)31-21/h1-4,6-9,18H,5,10-11H2,(H4,27,28,30,31)/t18-/m0/s1
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GILEAD SCIENCES, INC.

US Patent


Assay Description
TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...


US Patent US9765060 (2017)


BindingDB Entry DOI: 10.7270/Q2DZ0BDH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM341256
PNG
((S)-2,4-diamino-6-(2-(5-chloro-3-(3,5-difluorophen...)
Show SMILES Nc1nc(N)c(C#N)c(n1)N1CCC[C@H]1c1nc2cccc(Cl)c2c(=O)n1-c1cc(F)cc(F)c1
Show InChI InChI=1S/C23H17ClF2N8O/c24-15-3-1-4-16-18(15)22(35)34(13-8-11(25)7-12(26)9-13)21(30-16)17-5-2-6-33(17)20-14(10-27)19(28)31-23(29)32-20/h1,3-4,7-9,17H,2,5-6H2,(H4,28,29,31,32)/t17-/m0/s1
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GILEAD SCIENCES, INC.

US Patent


Assay Description
TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...


US Patent US9765060 (2017)


BindingDB Entry DOI: 10.7270/Q2DZ0BDH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM341245
PNG
((S)-2,4-diamino-6-(2-(3-(3-fluorophenyl)-5-(methyl...)
Show SMILES CS(=O)(=O)c1cccc2nc([C@@H]3CCCN3c3nc(N)nc(N)c3C#N)n(-c3cccc(F)c3)c(=O)c12
Show InChI InChI=1S/C24H21FN8O3S/c1-37(35,36)18-9-3-7-16-19(18)23(34)33(14-6-2-5-13(25)11-14)22(29-16)17-8-4-10-32(17)21-15(12-26)20(27)30-24(28)31-21/h2-3,5-7,9,11,17H,4,8,10H2,1H3,(H4,27,28,30,31)/t17-/m0/s1
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GILEAD SCIENCES, INC.

US Patent


Assay Description
TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...


US Patent US9765060 (2017)


BindingDB Entry DOI: 10.7270/Q2DZ0BDH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM341255
PNG
((S)-2,4-diamino-6-((1-(3-(3-fluorophenyl)-4-oxo-5-...)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(c2c(=O)n1-c1cccc(F)c1)S(=O)(=O)CCN1CCCC1
Show InChI InChI=1S/C27H28FN9O3S/c1-16(32-24-19(15-29)23(30)34-27(31)35-24)25-33-20-8-5-9-21(41(39,40)13-12-36-10-2-3-11-36)22(20)26(38)37(25)18-7-4-6-17(28)14-18/h4-9,14,16H,2-3,10-13H2,1H3,(H5,30,31,32,34,35)/t16-/m0/s1
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GILEAD SCIENCES, INC.

US Patent


Assay Description
TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...


US Patent US9765060 (2017)


BindingDB Entry DOI: 10.7270/Q2DZ0BDH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM341244
PNG
((S)-4-(2-(1-((2,6-diamino-5-cyanopyrimidin-4-yl)am...)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(CCCC(O)=O)c2c(=O)n1-c1cc(F)cc(F)c1
Show InChI InChI=1S/C25H22F2N8O3/c1-12(31-22-17(11-28)21(29)33-25(30)34-22)23-32-18-6-2-4-13(5-3-7-19(36)37)20(18)24(38)35(23)16-9-14(26)8-15(27)10-16/h2,4,6,8-10,12H,3,5,7H2,1H3,(H,36,37)(H5,29,30,31,33,34)/t12-/m0/s1
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GILEAD SCIENCES, INC.

US Patent


Assay Description
TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...


US Patent US9765060 (2017)


BindingDB Entry DOI: 10.7270/Q2DZ0BDH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM341232
PNG
((S)-2,4-diamino-6-((cyclopropyl(8-fluoro-4-oxo-3-p...)
Show SMILES Nc1nc(N)c(C#N)c(N[C@@H](C2CC2)c2nc3c(F)ccc(CCCN4CCCCC4)c3c(=O)n2-c2ccccc2)n1
Show InChI InChI=1S/C31H34FN9O/c32-23-14-13-19(8-7-17-40-15-5-2-6-16-40)24-26(23)37-29(41(30(24)42)21-9-3-1-4-10-21)25(20-11-12-20)36-28-22(18-33)27(34)38-31(35)39-28/h1,3-4,9-10,13-14,20,25H,2,5-8,11-12,15-17H2,(H5,34,35,36,38,39)/t25-/m0/s1
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GILEAD SCIENCES, INC.

US Patent


Assay Description
TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...


US Patent US9765060 (2017)


BindingDB Entry DOI: 10.7270/Q2DZ0BDH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM341220
PNG
((S)-2,4-diamino-6-((1-(5-(3-(3,3-difluoropyrrolidi...)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(CCCN3CCC(F)(F)C3)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C28H29F2N9O/c1-17(34-24-20(15-31)23(32)36-27(33)37-24)25-35-21-11-5-7-18(8-6-13-38-14-12-28(29,30)16-38)22(21)26(40)39(25)19-9-3-2-4-10-19/h2-5,7,9-11,17H,6,8,12-14,16H2,1H3,(H5,32,33,34,36,37)/t17-/m0/s1
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GILEAD SCIENCES, INC.

US Patent


Assay Description
TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...


US Patent US9765060 (2017)


BindingDB Entry DOI: 10.7270/Q2DZ0BDH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM341212
PNG
((S)-3-(2-(1-((2,6-diamino-5-cyanopyrimidin-4-yl)am...)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(F)ccc(CCC(N)=O)c2c(=O)n1-c1cc(F)cc(F)c1
Show InChI InChI=1S/C24H20F3N9O2/c1-10(32-21-15(9-28)20(30)34-24(31)35-21)22-33-19-16(27)4-2-11(3-5-17(29)37)18(19)23(38)36(22)14-7-12(25)6-13(26)8-14/h2,4,6-8,10H,3,5H2,1H3,(H2,29,37)(H5,30,31,32,34,35)/t10-/m0/s1
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GILEAD SCIENCES, INC.

US Patent


Assay Description
TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...


US Patent US9765060 (2017)


BindingDB Entry DOI: 10.7270/Q2DZ0BDH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM341209
PNG
((S)-2,4-diamino-6-((1-(5-(2-(4-methylpiperidin-1-y...)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(OCC(=O)N3CCC(C)CC3)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C29H31N9O3/c1-17-11-13-37(14-12-17)23(39)16-41-22-10-6-9-21-24(22)28(40)38(19-7-4-3-5-8-19)27(34-21)18(2)33-26-20(15-30)25(31)35-29(32)36-26/h3-10,17-18H,11-14,16H2,1-2H3,(H5,31,32,33,35,36)/t18-/m0/s1
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GILEAD SCIENCES, INC.

US Patent


Assay Description
TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...


US Patent US9765060 (2017)


BindingDB Entry DOI: 10.7270/Q2DZ0BDH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM341201
PNG
((S)-2,4-diamino-6-((1-(4-oxo-5-(2-oxo-2-(piperidin...)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(OCC(=O)N3CCCCC3)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C28H29N9O3/c1-17(32-25-19(15-29)24(30)34-28(31)35-25)26-33-20-11-8-12-21(40-16-22(38)36-13-6-3-7-14-36)23(20)27(39)37(26)18-9-4-2-5-10-18/h2,4-5,8-12,17H,3,6-7,13-14,16H2,1H3,(H5,30,31,32,34,35)/t17-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



GILEAD SCIENCES, INC.

US Patent


Assay Description
TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...


US Patent US9765060 (2017)


BindingDB Entry DOI: 10.7270/Q2DZ0BDH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM341243
PNG
((S)-4-(2-(1-(2,6-diamino-5-cyanopyrimidin-4-yl)pyr...)
Show SMILES Nc1nc(N)c(C#N)c(n1)N1CCC[C@H]1c1nc2cccc(CCCC(O)=O)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C27H26N8O3/c28-15-18-23(29)32-27(30)33-24(18)34-14-6-12-20(34)25-31-19-11-4-7-16(8-5-13-21(36)37)22(19)26(38)35(25)17-9-2-1-3-10-17/h1-4,7,9-11,20H,5-6,8,12-14H2,(H,36,37)(H4,29,30,32,33)/t20-/m0/s1
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UniChem
US Patent
n/an/a 3n/an/an/an/an/an/a



GILEAD SCIENCES, INC.

US Patent


Assay Description
TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...


US Patent US9765060 (2017)


BindingDB Entry DOI: 10.7270/Q2DZ0BDH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM341246
PNG
((S)-2,4-diamino-6-(2-(3-(2-fluorophenyl)-5-(methyl...)
Show SMILES CS(=O)(=O)c1cccc2nc([C@@H]3CCCN3c3nc(N)nc(N)c3C#N)n(-c3ccccc3F)c(=O)c12 |wD:11.10,(-3.23,6.38,;-3.23,4.84,;-1.69,4.84,;-4.77,4.84,;-3.23,3.3,;-4.56,2.53,;-4.56,.99,;-3.23,.22,;-1.9,.99,;-.56,.22,;.77,.99,;2.1,.22,;3.51,.85,;4.54,-.3,;3.77,-1.63,;2.26,-1.31,;1.12,-2.34,;-.34,-1.86,;-1.49,-2.89,;-2.95,-2.42,;-1.17,-4.4,;.3,-4.88,;.62,-6.38,;1.44,-3.85,;2.91,-4.32,;4.37,-4.8,;.77,2.53,;2.1,3.3,;3.44,2.53,;4.77,3.3,;4.77,4.84,;3.44,5.61,;2.1,4.84,;.77,5.61,;-.56,3.3,;-.56,4.84,;-1.9,2.53,)|
Show InChI InChI=1S/C24H21FN8O3S/c1-37(35,36)18-10-4-7-15-19(18)23(34)33(16-8-3-2-6-14(16)25)22(29-15)17-9-5-11-32(17)21-13(12-26)20(27)30-24(28)31-21/h2-4,6-8,10,17H,5,9,11H2,1H3,(H4,27,28,30,31)/t17-/m0/s1
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UniChem
US Patent
n/an/a 3n/an/an/an/an/an/a



GILEAD SCIENCES, INC.

US Patent


Assay Description
TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...


US Patent US9765060 (2017)


BindingDB Entry DOI: 10.7270/Q2DZ0BDH
More data for this
Ligand-Target Pair
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