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Patent code US9321773

Compile Data Set for Download or QSAR
Found 21 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
PI3-kinase subunit delta


(Homo sapiens (human))
BDBM224572
PNG
(US9321773, 89)
Show SMILES Nc1ncnc2n(Cc3nc4cccc(C#CCCCC(=O)N5CCCC5)c4c(=O)n3Cc3ccccc3Cl)nc(-c3ccc(O)cc3)c12
Show InChI InChI=1S/C37H33ClN8O3/c38-28-12-5-4-10-26(28)21-45-30(22-46-36-33(35(39)40-23-41-36)34(43-46)25-15-17-27(47)18-16-25)42-29-13-8-11-24(32(29)37(45)49)9-2-1-3-14-31(48)44-19-6-7-20-44/h4-5,8,10-13,15-18,23,47H,1,3,6-7,14,19-22H2,(H2,39,40,41)
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US Patent


Assay Description
PI3 kinases catalyse the phosphorylation of phosphatidylinositol 4,5-biphosphate (PIP2) to phosphatidylinositol 3,4,5-triphosphate (PIP3) in the pres...


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase subunit delta


(Homo sapiens (human))
BDBM50403063
PNG
(CHEMBL2216862 | US9321773, 15)
Show SMILES COc1cccc(Cn2c(Cn3nc(-c4cccc(O)c4)c4c(N)ncnc34)nc3cccc(C#C)c3c2=O)c1
Show InChI InChI=1S/C30H23N7O3/c1-3-19-8-6-12-23-25(19)30(39)36(15-18-7-4-11-22(13-18)40-2)24(34-23)16-37-29-26(28(31)32-17-33-29)27(35-37)20-9-5-10-21(38)14-20/h1,4-14,17,38H,15-16H2,2H3,(H2,31,32,33)
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Assay Description
PI3 kinases catalyse the phosphorylation of phosphatidylinositol 4,5-biphosphate (PIP2) to phosphatidylinositol 3,4,5-triphosphate (PIP3) in the pres...


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase subunit delta


(Homo sapiens (human))
BDBM224567
PNG
(US9321773, 1)
Show SMILES Nc1ncnc2n(Cc3nc4cccc(C#C)c4c(=O)n3Cc3ccccc3Cl)nc(-c3cccc(O)c3)c12
Show InChI InChI=1S/C29H20ClN7O2/c1-2-17-8-6-12-22-24(17)29(39)36(14-19-7-3-4-11-21(19)30)23(34-22)15-37-28-25(27(31)32-16-33-28)26(35-37)18-9-5-10-20(38)13-18/h1,3-13,16,38H,14-15H2,(H2,31,32,33)
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Assay Description
PI3 kinases catalyse the phosphorylation of phosphatidylinositol 4,5-biphosphate (PIP2) to phosphatidylinositol 3,4,5-triphosphate (PIP3) in the pres...


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase subunit delta


(Homo sapiens (human))
BDBM224570
PNG
(US9321773, 37)
Show SMILES COCC#Cc1cccc2nc(Cn3nc(-c4cccc(O)c4)c4c(N)ncnc34)n(Cc3cccc(c3)C(F)(F)F)c(=O)c12
Show InChI InChI=1S/C32H24F3N7O3/c1-45-13-5-9-20-7-4-12-24-26(20)31(44)41(16-19-6-2-10-22(14-19)32(33,34)35)25(39-24)17-42-30-27(29(36)37-18-38-30)28(40-42)21-8-3-11-23(43)15-21/h2-4,6-8,10-12,14-15,18,43H,13,16-17H2,1H3,(H2,36,37,38)
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Assay Description
PI3 kinases catalyse the phosphorylation of phosphatidylinositol 4,5-biphosphate (PIP2) to phosphatidylinositol 3,4,5-triphosphate (PIP3) in the pres...


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase subunit delta


(Homo sapiens (human))
BDBM224568
PNG
(US9321773, 4)
Show SMILES Nc1ncnc2n(Cc3nc4cccc(C#CCCCC(O)=O)c4c(=O)n3Cc3ccccc3Cl)nc(-c3ccc(O)cc3)c12
Show InChI InChI=1S/C33H26ClN7O4/c34-24-10-5-4-8-22(24)17-40-26(38-25-11-6-9-20(28(25)33(40)45)7-2-1-3-12-27(43)44)18-41-32-29(31(35)36-19-37-32)30(39-41)21-13-15-23(42)16-14-21/h4-6,8-11,13-16,19,42H,1,3,12,17-18H2,(H,43,44)(H2,35,36,37)
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Assay Description
PI3 kinases catalyse the phosphorylation of phosphatidylinositol 4,5-biphosphate (PIP2) to phosphatidylinositol 3,4,5-triphosphate (PIP3) in the pres...


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase subunit gamma


(Homo sapiens (human))
BDBM224569
PNG
(US9321773, 5)
Show SMILES Nc1ncnc2n(Cc3nc4cccc(C#CCCCC(=O)N5CCOCC5)c4c(=O)n3Cc3ccccc3Cl)nc(-c3ccc(O)cc3)c12
Show InChI InChI=1S/C37H33ClN8O4/c38-28-10-5-4-8-26(28)21-45-30(22-46-36-33(35(39)40-23-41-36)34(43-46)25-13-15-27(47)16-14-25)42-29-11-6-9-24(32(29)37(45)49)7-2-1-3-12-31(48)44-17-19-50-20-18-44/h4-6,8-11,13-16,23,47H,1,3,12,17-22H2,(H2,39,40,41)
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Assay Description
PI3 kinases catalyse the phosphorylation of phosphatidylinositol 4,5-biphosphate (PIP2) to phosphatidylinositol 3,4,5-triphosphate (PIP3) in the pres...


Citation and Details
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha (p85α)


(Homo sapiens (Human))
BDBM224568
PNG
(US9321773, 4)
Show SMILES Nc1ncnc2n(Cc3nc4cccc(C#CCCCC(O)=O)c4c(=O)n3Cc3ccccc3Cl)nc(-c3ccc(O)cc3)c12
Show InChI InChI=1S/C33H26ClN7O4/c34-24-10-5-4-8-22(24)17-40-26(38-25-11-6-9-20(28(25)33(40)45)7-2-1-3-12-27(43)44)18-41-32-29(31(35)36-19-37-32)30(39-41)21-13-15-23(42)16-14-21/h4-6,8-11,13-16,19,42H,1,3,12,17-18H2,(H,43,44)(H2,35,36,37)
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Assay Description
PI3 kinases catalyse the phosphorylation of phosphatidylinositol 4,5-biphosphate (PIP2) to phosphatidylinositol 3,4,5-triphosphate (PIP3) in the pres...


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase subunit delta


(Homo sapiens (human))
BDBM224569
PNG
(US9321773, 5)
Show SMILES Nc1ncnc2n(Cc3nc4cccc(C#CCCCC(=O)N5CCOCC5)c4c(=O)n3Cc3ccccc3Cl)nc(-c3ccc(O)cc3)c12
Show InChI InChI=1S/C37H33ClN8O4/c38-28-10-5-4-8-26(28)21-45-30(22-46-36-33(35(39)40-23-41-36)34(43-46)25-13-15-27(47)16-14-25)42-29-11-6-9-24(32(29)37(45)49)7-2-1-3-12-31(48)44-17-19-50-20-18-44/h4-6,8-11,13-16,23,47H,1,3,12,17-22H2,(H2,39,40,41)
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Assay Description
PI3 kinases catalyse the phosphorylation of phosphatidylinositol 4,5-biphosphate (PIP2) to phosphatidylinositol 3,4,5-triphosphate (PIP3) in the pres...


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase subunit gamma


(Homo sapiens (human))
BDBM224568
PNG
(US9321773, 4)
Show SMILES Nc1ncnc2n(Cc3nc4cccc(C#CCCCC(O)=O)c4c(=O)n3Cc3ccccc3Cl)nc(-c3ccc(O)cc3)c12
Show InChI InChI=1S/C33H26ClN7O4/c34-24-10-5-4-8-22(24)17-40-26(38-25-11-6-9-20(28(25)33(40)45)7-2-1-3-12-27(43)44)18-41-32-29(31(35)36-19-37-32)30(39-41)21-13-15-23(42)16-14-21/h4-6,8-11,13-16,19,42H,1,3,12,17-18H2,(H,43,44)(H2,35,36,37)
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Assay Description
PI3 kinases catalyse the phosphorylation of phosphatidylinositol 4,5-biphosphate (PIP2) to phosphatidylinositol 3,4,5-triphosphate (PIP3) in the pres...


Citation and Details
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha (p85α)


(Homo sapiens (Human))
BDBM224569
PNG
(US9321773, 5)
Show SMILES Nc1ncnc2n(Cc3nc4cccc(C#CCCCC(=O)N5CCOCC5)c4c(=O)n3Cc3ccccc3Cl)nc(-c3ccc(O)cc3)c12
Show InChI InChI=1S/C37H33ClN8O4/c38-28-10-5-4-8-26(28)21-45-30(22-46-36-33(35(39)40-23-41-36)34(43-46)25-13-15-27(47)16-14-25)42-29-11-6-9-24(32(29)37(45)49)7-2-1-3-12-31(48)44-17-19-50-20-18-44/h4-6,8-11,13-16,23,47H,1,3,12,17-22H2,(H2,39,40,41)
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Assay Description
PI3 kinases catalyse the phosphorylation of phosphatidylinositol 4,5-biphosphate (PIP2) to phosphatidylinositol 3,4,5-triphosphate (PIP3) in the pres...


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase subunit gamma


(Homo sapiens (human))
BDBM224571
PNG
(US9321773, 86)
Show SMILES CC(C)NC(=O)CCCC#Cc1cccc2nc(Cn3nc(-c4ccc(O)cc4)c4c(N)ncnc34)n(Cc3ccccc3Cl)c(=O)c12
Show InChI InChI=1S/C36H33ClN8O3/c1-22(2)41-30(47)14-5-3-4-9-23-11-8-13-28-31(23)36(48)44(19-25-10-6-7-12-27(25)37)29(42-28)20-45-35-32(34(38)39-21-40-35)33(43-45)24-15-17-26(46)18-16-24/h6-8,10-13,15-18,21-22,46H,3,5,14,19-20H2,1-2H3,(H,41,47)(H2,38,39,40)
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Assay Description
PI3 kinases catalyse the phosphorylation of phosphatidylinositol 4,5-biphosphate (PIP2) to phosphatidylinositol 3,4,5-triphosphate (PIP3) in the pres...


Citation and Details
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha (p85α)


(Homo sapiens (Human))
BDBM224571
PNG
(US9321773, 86)
Show SMILES CC(C)NC(=O)CCCC#Cc1cccc2nc(Cn3nc(-c4ccc(O)cc4)c4c(N)ncnc34)n(Cc3ccccc3Cl)c(=O)c12
Show InChI InChI=1S/C36H33ClN8O3/c1-22(2)41-30(47)14-5-3-4-9-23-11-8-13-28-31(23)36(48)44(19-25-10-6-7-12-27(25)37)29(42-28)20-45-35-32(34(38)39-21-40-35)33(43-45)24-15-17-26(46)18-16-24/h6-8,10-13,15-18,21-22,46H,3,5,14,19-20H2,1-2H3,(H,41,47)(H2,38,39,40)
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Assay Description
PI3 kinases catalyse the phosphorylation of phosphatidylinositol 4,5-biphosphate (PIP2) to phosphatidylinositol 3,4,5-triphosphate (PIP3) in the pres...


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase subunit delta


(Homo sapiens (human))
BDBM224571
PNG
(US9321773, 86)
Show SMILES CC(C)NC(=O)CCCC#Cc1cccc2nc(Cn3nc(-c4ccc(O)cc4)c4c(N)ncnc34)n(Cc3ccccc3Cl)c(=O)c12
Show InChI InChI=1S/C36H33ClN8O3/c1-22(2)41-30(47)14-5-3-4-9-23-11-8-13-28-31(23)36(48)44(19-25-10-6-7-12-27(25)37)29(42-28)20-45-35-32(34(38)39-21-40-35)33(43-45)24-15-17-26(46)18-16-24/h6-8,10-13,15-18,21-22,46H,3,5,14,19-20H2,1-2H3,(H,41,47)(H2,38,39,40)
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Assay Description
PI3 kinases catalyse the phosphorylation of phosphatidylinositol 4,5-biphosphate (PIP2) to phosphatidylinositol 3,4,5-triphosphate (PIP3) in the pres...


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase subunit gamma


(Homo sapiens (human))
BDBM224572
PNG
(US9321773, 89)
Show SMILES Nc1ncnc2n(Cc3nc4cccc(C#CCCCC(=O)N5CCCC5)c4c(=O)n3Cc3ccccc3Cl)nc(-c3ccc(O)cc3)c12
Show InChI InChI=1S/C37H33ClN8O3/c38-28-12-5-4-10-26(28)21-45-30(22-46-36-33(35(39)40-23-41-36)34(43-46)25-15-17-27(47)18-16-25)42-29-13-8-11-24(32(29)37(45)49)9-2-1-3-14-31(48)44-19-6-7-20-44/h4-5,8,10-13,15-18,23,47H,1,3,6-7,14,19-22H2,(H2,39,40,41)
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Assay Description
PI3 kinases catalyse the phosphorylation of phosphatidylinositol 4,5-biphosphate (PIP2) to phosphatidylinositol 3,4,5-triphosphate (PIP3) in the pres...


Citation and Details
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha (p85α)


(Homo sapiens (Human))
BDBM224567
PNG
(US9321773, 1)
Show SMILES Nc1ncnc2n(Cc3nc4cccc(C#C)c4c(=O)n3Cc3ccccc3Cl)nc(-c3cccc(O)c3)c12
Show InChI InChI=1S/C29H20ClN7O2/c1-2-17-8-6-12-22-24(17)29(39)36(14-19-7-3-4-11-21(19)30)23(34-22)15-37-28-25(27(31)32-16-33-28)26(35-37)18-9-5-10-20(38)13-18/h1,3-13,16,38H,14-15H2,(H2,31,32,33)
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Assay Description
PI3 kinases catalyse the phosphorylation of phosphatidylinositol 4,5-biphosphate (PIP2) to phosphatidylinositol 3,4,5-triphosphate (PIP3) in the pres...


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase subunit gamma


(Homo sapiens (human))
BDBM224567
PNG
(US9321773, 1)
Show SMILES Nc1ncnc2n(Cc3nc4cccc(C#C)c4c(=O)n3Cc3ccccc3Cl)nc(-c3cccc(O)c3)c12
Show InChI InChI=1S/C29H20ClN7O2/c1-2-17-8-6-12-22-24(17)29(39)36(14-19-7-3-4-11-21(19)30)23(34-22)15-37-28-25(27(31)32-16-33-28)26(35-37)18-9-5-10-20(38)13-18/h1,3-13,16,38H,14-15H2,(H2,31,32,33)
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US Patent


Assay Description
PI3 kinases catalyse the phosphorylation of phosphatidylinositol 4,5-biphosphate (PIP2) to phosphatidylinositol 3,4,5-triphosphate (PIP3) in the pres...


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase subunit gamma


(Homo sapiens (human))
BDBM50403063
PNG
(CHEMBL2216862 | US9321773, 15)
Show SMILES COc1cccc(Cn2c(Cn3nc(-c4cccc(O)c4)c4c(N)ncnc34)nc3cccc(C#C)c3c2=O)c1
Show InChI InChI=1S/C30H23N7O3/c1-3-19-8-6-12-23-25(19)30(39)36(15-18-7-4-11-22(13-18)40-2)24(34-23)16-37-29-26(28(31)32-17-33-29)27(35-37)20-9-5-10-21(38)14-20/h1,4-14,17,38H,15-16H2,2H3,(H2,31,32,33)
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US Patent


Assay Description
PI3 kinases catalyse the phosphorylation of phosphatidylinositol 4,5-biphosphate (PIP2) to phosphatidylinositol 3,4,5-triphosphate (PIP3) in the pres...


Citation and Details
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha (p85α)


(Homo sapiens (Human))
BDBM224570
PNG
(US9321773, 37)
Show SMILES COCC#Cc1cccc2nc(Cn3nc(-c4cccc(O)c4)c4c(N)ncnc34)n(Cc3cccc(c3)C(F)(F)F)c(=O)c12
Show InChI InChI=1S/C32H24F3N7O3/c1-45-13-5-9-20-7-4-12-24-26(20)31(44)41(16-19-6-2-10-22(14-19)32(33,34)35)25(39-24)17-42-30-27(29(36)37-18-38-30)28(40-42)21-8-3-11-23(43)15-21/h2-4,6-8,10-12,14-15,18,43H,13,16-17H2,1H3,(H2,36,37,38)
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Assay Description
PI3 kinases catalyse the phosphorylation of phosphatidylinositol 4,5-biphosphate (PIP2) to phosphatidylinositol 3,4,5-triphosphate (PIP3) in the pres...


Citation and Details
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha (p85α)


(Homo sapiens (Human))
BDBM224572
PNG
(US9321773, 89)
Show SMILES Nc1ncnc2n(Cc3nc4cccc(C#CCCCC(=O)N5CCCC5)c4c(=O)n3Cc3ccccc3Cl)nc(-c3ccc(O)cc3)c12
Show InChI InChI=1S/C37H33ClN8O3/c38-28-12-5-4-10-26(28)21-45-30(22-46-36-33(35(39)40-23-41-36)34(43-46)25-15-17-27(47)18-16-25)42-29-13-8-11-24(32(29)37(45)49)9-2-1-3-14-31(48)44-19-6-7-20-44/h4-5,8,10-13,15-18,23,47H,1,3,6-7,14,19-22H2,(H2,39,40,41)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.49E+3n/an/an/an/an/an/a



Respivert, Ltd.

US Patent


Assay Description
PI3 kinases catalyse the phosphorylation of phosphatidylinositol 4,5-biphosphate (PIP2) to phosphatidylinositol 3,4,5-triphosphate (PIP3) in the pres...


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase subunit gamma


(Homo sapiens (human))
BDBM224570
PNG
(US9321773, 37)
Show SMILES COCC#Cc1cccc2nc(Cn3nc(-c4cccc(O)c4)c4c(N)ncnc34)n(Cc3cccc(c3)C(F)(F)F)c(=O)c12
Show InChI InChI=1S/C32H24F3N7O3/c1-45-13-5-9-20-7-4-12-24-26(20)31(44)41(16-19-6-2-10-22(14-19)32(33,34)35)25(39-24)17-42-30-27(29(36)37-18-38-30)28(40-42)21-8-3-11-23(43)15-21/h2-4,6-8,10-12,14-15,18,43H,13,16-17H2,1H3,(H2,36,37,38)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.61E+3n/an/an/an/an/an/a



Respivert, Ltd.

US Patent


Assay Description
PI3 kinases catalyse the phosphorylation of phosphatidylinositol 4,5-biphosphate (PIP2) to phosphatidylinositol 3,4,5-triphosphate (PIP3) in the pres...


Citation and Details
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha (p85α)


(Homo sapiens (Human))
BDBM50403063
PNG
(CHEMBL2216862 | US9321773, 15)
Show SMILES COc1cccc(Cn2c(Cn3nc(-c4cccc(O)c4)c4c(N)ncnc34)nc3cccc(C#C)c3c2=O)c1
Show InChI InChI=1S/C30H23N7O3/c1-3-19-8-6-12-23-25(19)30(39)36(15-18-7-4-11-22(13-18)40-2)24(34-23)16-37-29-26(28(31)32-17-33-29)27(35-37)20-9-5-10-21(38)14-20/h1,4-14,17,38H,15-16H2,2H3,(H2,31,32,33)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
US Patent
n/an/a 1.97E+3n/an/an/an/an/an/a



Respivert, Ltd.

US Patent


Assay Description
PI3 kinases catalyse the phosphorylation of phosphatidylinositol 4,5-biphosphate (PIP2) to phosphatidylinositol 3,4,5-triphosphate (PIP3) in the pres...


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%