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USPatent US9227977

Compile data set for download or QSAR
Found 14 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM200638
PNG
(US9227977, Compound (I))
Show SMILES COCCOCCOCC#Cc1cccc2nc(Cn3nc(-c4cc(O)cc(F)c4)c4c(N)ncnc34)n(Cc3ccccc3C(F)(F)F)c(=O)c12
Show InChI InChI=1S/C36H31F4N7O5/c1-50-12-13-52-15-14-51-11-5-8-22-7-4-10-28-30(22)35(49)46(19-23-6-2-3-9-27(23)36(38,39)40)29(44-28)20-47-34-31(33(41)42-21-43-34)32(45-47)24-16-25(37)18-26(48)17-24/h2-4,6-7,9-10,16-18,21,48H,11-15,19-20H2,1H3,(H2,41,42,43)
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US Patent
n/an/a 2.5n/an/an/an/an/an/a



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US Patent


Assay Description
The PI3K enzymes catalyse the phosphorylation of phosphatidylinositol 4,5-biphosphate (PIP2) to phosphatidylinositol 3,4,5-triphosphate (PIP3) in the...


US Patent US9227977 (2016)


BindingDB Entry DOI: 10.7270/Q2BZ64WZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM200640
PNG
(US9227977, Example 50)
Show SMILES COCCOCCOCC#Cc1cccc2nc(Cn3nc(-c4cccc(O)c4)c4c(N)ncnc34)n(Cc3ccccc3F)c(=O)c12
Show InChI InChI=1S/C35H32FN7O5/c1-46-15-16-48-18-17-47-14-6-10-23-8-5-13-28-30(23)35(45)42(20-25-7-2-3-12-27(25)36)29(40-28)21-43-34-31(33(37)38-22-39-34)32(41-43)24-9-4-11-26(44)19-24/h2-5,7-9,11-13,19,22,44H,14-18,20-21H2,1H3,(H2,37,38,39)
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n/an/a 5.70n/an/an/an/an/an/a



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US Patent


Assay Description
The PI3K enzymes catalyse the phosphorylation of phosphatidylinositol 4,5-biphosphate (PIP2) to phosphatidylinositol 3,4,5-triphosphate (PIP3) in the...


US Patent US9227977 (2016)


BindingDB Entry DOI: 10.7270/Q2BZ64WZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM200639
PNG
(US9227977, Compound A)
Show SMILES COCCN(CCOC)C(=O)CCCC#Cc1cccc2nc(Cn3nc(-c4cccc(O)c4)c4c(N)ncnc34)n(Cc3ccccc3Cl)c(=O)c12
Show InChI InChI=1S/C39H39ClN8O5/c1-52-20-18-46(19-21-53-2)33(50)17-5-3-4-10-26-12-9-16-31-34(26)39(51)47(23-28-11-6-7-15-30(28)40)32(44-31)24-48-38-35(37(41)42-25-43-38)36(45-48)27-13-8-14-29(49)22-27/h6-9,11-16,22,25,49H,3,5,17-21,23-24H2,1-2H3,(H2,41,42,43)
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US Patent


Assay Description
The PI3K enzymes catalyse the phosphorylation of phosphatidylinositol 4,5-biphosphate (PIP2) to phosphatidylinositol 3,4,5-triphosphate (PIP3) in the...


US Patent US9227977 (2016)


BindingDB Entry DOI: 10.7270/Q2BZ64WZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM200637
PNG
(US9227977, Compound (Ia))
Show SMILES Nc1ncnc2n(Cc3nc4cccc(C#CCOCCOCCO)c4c(=O)n3Cc3ccccc3C(F)(F)F)nc(-c3cc(O)cc(F)c3)c12
Show InChI InChI=1S/C35H29F4N7O5/c36-24-15-23(16-25(48)17-24)31-30-32(40)41-20-42-33(30)46(44-31)19-28-43-27-9-3-6-21(7-4-11-50-13-14-51-12-10-47)29(27)34(49)45(28)18-22-5-1-2-8-26(22)35(37,38)39/h1-3,5-6,8-9,15-17,20,47-48H,10-14,18-19H2,(H2,40,41,42)
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n/an/a 17n/an/an/an/an/an/a



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US Patent


Assay Description
As a means of assessing PI3K δ activation in response to stimuli, the phosphorylation status of the protein, Akt, a downstream product of PI3K&#...


US Patent US9227977 (2016)


BindingDB Entry DOI: 10.7270/Q2BZ64WZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM200639
PNG
(US9227977, Compound A)
Show SMILES COCCN(CCOC)C(=O)CCCC#Cc1cccc2nc(Cn3nc(-c4cccc(O)c4)c4c(N)ncnc34)n(Cc3ccccc3Cl)c(=O)c12
Show InChI InChI=1S/C39H39ClN8O5/c1-52-20-18-46(19-21-53-2)33(50)17-5-3-4-10-26-12-9-16-31-34(26)39(51)47(23-28-11-6-7-15-30(28)40)32(44-31)24-48-38-35(37(41)42-25-43-38)36(45-48)27-13-8-14-29(49)22-27/h6-9,11-16,22,25,49H,3,5,17-21,23-24H2,1-2H3,(H2,41,42,43)
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n/an/a 25n/an/an/an/an/an/a



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US Patent


Assay Description
The PI3K enzymes catalyse the phosphorylation of phosphatidylinositol 4,5-biphosphate (PIP2) to phosphatidylinositol 3,4,5-triphosphate (PIP3) in the...


US Patent US9227977 (2016)


BindingDB Entry DOI: 10.7270/Q2BZ64WZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM200638
PNG
(US9227977, Compound (I))
Show SMILES COCCOCCOCC#Cc1cccc2nc(Cn3nc(-c4cc(O)cc(F)c4)c4c(N)ncnc34)n(Cc3ccccc3C(F)(F)F)c(=O)c12
Show InChI InChI=1S/C36H31F4N7O5/c1-50-12-13-52-15-14-51-11-5-8-22-7-4-10-28-30(22)35(49)46(19-23-6-2-3-9-27(23)36(38,39)40)29(44-28)20-47-34-31(33(41)42-21-43-34)32(45-47)24-16-25(37)18-26(48)17-24/h2-4,6-7,9-10,16-18,21,48H,11-15,19-20H2,1H3,(H2,41,42,43)
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n/an/a 28n/an/an/an/an/an/a



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US Patent


Assay Description
The PI3K enzymes catalyse the phosphorylation of phosphatidylinositol 4,5-biphosphate (PIP2) to phosphatidylinositol 3,4,5-triphosphate (PIP3) in the...


US Patent US9227977 (2016)


BindingDB Entry DOI: 10.7270/Q2BZ64WZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM200640
PNG
(US9227977, Example 50)
Show SMILES COCCOCCOCC#Cc1cccc2nc(Cn3nc(-c4cccc(O)c4)c4c(N)ncnc34)n(Cc3ccccc3F)c(=O)c12
Show InChI InChI=1S/C35H32FN7O5/c1-46-15-16-48-18-17-47-14-6-10-23-8-5-13-28-30(23)35(45)42(20-25-7-2-3-12-27(25)36)29(40-28)21-43-34-31(33(37)38-22-39-34)32(41-43)24-9-4-11-26(44)19-24/h2-5,7-9,11-13,19,22,44H,14-18,20-21H2,1H3,(H2,37,38,39)
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n/an/a 120n/an/an/an/an/an/a



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US Patent


Assay Description
The PI3K enzymes catalyse the phosphorylation of phosphatidylinositol 4,5-biphosphate (PIP2) to phosphatidylinositol 3,4,5-triphosphate (PIP3) in the...


US Patent US9227977 (2016)


BindingDB Entry DOI: 10.7270/Q2BZ64WZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM200639
PNG
(US9227977, Compound A)
Show SMILES COCCN(CCOC)C(=O)CCCC#Cc1cccc2nc(Cn3nc(-c4cccc(O)c4)c4c(N)ncnc34)n(Cc3ccccc3Cl)c(=O)c12
Show InChI InChI=1S/C39H39ClN8O5/c1-52-20-18-46(19-21-53-2)33(50)17-5-3-4-10-26-12-9-16-31-34(26)39(51)47(23-28-11-6-7-15-30(28)40)32(44-31)24-48-38-35(37(41)42-25-43-38)36(45-48)27-13-8-14-29(49)22-27/h6-9,11-16,22,25,49H,3,5,17-21,23-24H2,1-2H3,(H2,41,42,43)
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n/an/a 193n/an/an/an/an/an/a



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US Patent


Assay Description
The PI3K enzymes catalyse the phosphorylation of phosphatidylinositol 4,5-biphosphate (PIP2) to phosphatidylinositol 3,4,5-triphosphate (PIP3) in the...


US Patent US9227977 (2016)


BindingDB Entry DOI: 10.7270/Q2BZ64WZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM200637
PNG
(US9227977, Compound (Ia))
Show SMILES Nc1ncnc2n(Cc3nc4cccc(C#CCOCCOCCO)c4c(=O)n3Cc3ccccc3C(F)(F)F)nc(-c3cc(O)cc(F)c3)c12
Show InChI InChI=1S/C35H29F4N7O5/c36-24-15-23(16-25(48)17-24)31-30-32(40)41-20-42-33(30)46(44-31)19-28-43-27-9-3-6-21(7-4-11-50-13-14-51-12-10-47)29(27)34(49)45(28)18-22-5-1-2-8-26(22)35(37,38)39/h1-3,5-6,8-9,15-17,20,47-48H,10-14,18-19H2,(H2,40,41,42)
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US Patent


Assay Description
As a means of assessing the activation of PI3K γ in response to stimuli, the phosphorylation status of the protein, Akt, a downstream product of...


US Patent US9227977 (2016)


BindingDB Entry DOI: 10.7270/Q2BZ64WZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM200640
PNG
(US9227977, Example 50)
Show SMILES COCCOCCOCC#Cc1cccc2nc(Cn3nc(-c4cccc(O)c4)c4c(N)ncnc34)n(Cc3ccccc3F)c(=O)c12
Show InChI InChI=1S/C35H32FN7O5/c1-46-15-16-48-18-17-47-14-6-10-23-8-5-13-28-30(23)35(45)42(20-25-7-2-3-12-27(25)36)29(40-28)21-43-34-31(33(37)38-22-39-34)32(41-43)24-9-4-11-26(44)19-24/h2-5,7-9,11-13,19,22,44H,14-18,20-21H2,1H3,(H2,37,38,39)
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n/an/a 653n/an/an/an/an/an/a



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US Patent


Assay Description
The PI3K enzymes catalyse the phosphorylation of phosphatidylinositol 4,5-biphosphate (PIP2) to phosphatidylinositol 3,4,5-triphosphate (PIP3) in the...


US Patent US9227977 (2016)


BindingDB Entry DOI: 10.7270/Q2BZ64WZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM200638
PNG
(US9227977, Compound (I))
Show SMILES COCCOCCOCC#Cc1cccc2nc(Cn3nc(-c4cc(O)cc(F)c4)c4c(N)ncnc34)n(Cc3ccccc3C(F)(F)F)c(=O)c12
Show InChI InChI=1S/C36H31F4N7O5/c1-50-12-13-52-15-14-51-11-5-8-22-7-4-10-28-30(22)35(49)46(19-23-6-2-3-9-27(23)36(38,39)40)29(44-28)20-47-34-31(33(41)42-21-43-34)32(45-47)24-16-25(37)18-26(48)17-24/h2-4,6-7,9-10,16-18,21,48H,11-15,19-20H2,1H3,(H2,41,42,43)
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n/an/a 4.89E+3n/an/an/an/an/an/a



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US Patent


Assay Description
The PI3K enzymes catalyse the phosphorylation of phosphatidylinositol 4,5-biphosphate (PIP2) to phosphatidylinositol 3,4,5-triphosphate (PIP3) in the...


US Patent US9227977 (2016)


BindingDB Entry DOI: 10.7270/Q2BZ64WZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM200638
PNG
(US9227977, Compound (I))
Show SMILES COCCOCCOCC#Cc1cccc2nc(Cn3nc(-c4cc(O)cc(F)c4)c4c(N)ncnc34)n(Cc3ccccc3C(F)(F)F)c(=O)c12
Show InChI InChI=1S/C36H31F4N7O5/c1-50-12-13-52-15-14-51-11-5-8-22-7-4-10-28-30(22)35(49)46(19-23-6-2-3-9-27(23)36(38,39)40)29(44-28)20-47-34-31(33(41)42-21-43-34)32(45-47)24-16-25(37)18-26(48)17-24/h2-4,6-7,9-10,16-18,21,48H,11-15,19-20H2,1H3,(H2,41,42,43)
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n/an/a>1.39E+4n/an/an/an/an/an/a



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US Patent


Assay Description
The PI3K enzymes catalyse the phosphorylation of phosphatidylinositol 4,5-biphosphate (PIP2) to phosphatidylinositol 3,4,5-triphosphate (PIP3) in the...


US Patent US9227977 (2016)


BindingDB Entry DOI: 10.7270/Q2BZ64WZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM200637
PNG
(US9227977, Compound (Ia))
Show SMILES Nc1ncnc2n(Cc3nc4cccc(C#CCOCCOCCO)c4c(=O)n3Cc3ccccc3C(F)(F)F)nc(-c3cc(O)cc(F)c3)c12
Show InChI InChI=1S/C35H29F4N7O5/c36-24-15-23(16-25(48)17-24)31-30-32(40)41-20-42-33(30)46(44-31)19-28-43-27-9-3-6-21(7-4-11-50-13-14-51-12-10-47)29(27)34(49)45(28)18-22-5-1-2-8-26(22)35(37,38)39/h1-3,5-6,8-9,15-17,20,47-48H,10-14,18-19H2,(H2,40,41,42)
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n/an/a>1.42E+4n/an/an/an/an/an/a



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US Patent


Assay Description
As a means of assessing PI3K alpha or beta; activation in response to stimuli, the phosphorylation status of the protein, Akt, a downstream product o...


US Patent US9227977 (2016)


BindingDB Entry DOI: 10.7270/Q2BZ64WZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM200637
PNG
(US9227977, Compound (Ia))
Show SMILES Nc1ncnc2n(Cc3nc4cccc(C#CCOCCOCCO)c4c(=O)n3Cc3ccccc3C(F)(F)F)nc(-c3cc(O)cc(F)c3)c12
Show InChI InChI=1S/C35H29F4N7O5/c36-24-15-23(16-25(48)17-24)31-30-32(40)41-20-42-33(30)46(44-31)19-28-43-27-9-3-6-21(7-4-11-50-13-14-51-12-10-47)29(27)34(49)45(28)18-22-5-1-2-8-26(22)35(37,38)39/h1-3,5-6,8-9,15-17,20,47-48H,10-14,18-19H2,(H2,40,41,42)
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n/an/a>1.42E+4n/an/an/an/an/an/a



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US Patent


Assay Description
As a means of assessing PI3K alpha or beta; activation in response to stimuli, the phosphorylation status of the protein, Akt, a downstream product o...


US Patent US9227977 (2016)


BindingDB Entry DOI: 10.7270/Q2BZ64WZ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%