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Compile Data Set for Download or QSAR

Found 37 hits Enz. Inhib. hit(s) with all data for entry = 9554   
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 gamma isoform


(Homo sapiens (Human))
BDBM474011
PNG
(N-(5-{2-[(1S)-1-Cyclopropylethyl]-7-({[1-(fluorome...)
Show SMILES C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(=O)(=O)NCC1(CCF)CC1)-c1sc(NC(C)=O)nc1C |r|
Show InChI InChI=1S/C25H31FN4O4S2/c1-14-22(35-24(28-14)29-16(3)31)18-10-19-12-30(15(2)17-4-5-17)23(32)21(19)20(11-18)36(33,34)27-13-25(6-7-25)8-9-26/h10-11,15,17,27H,4-9,12-13H2,1-3H3,(H,28,29,31)/t15-/m0/s1
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n/an/a 0.398n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The activity of recombinant human PI3Kγ (aa144-1102)-6His was determined by measuring the ADP level after phosphorylation of DiC8-PIP2 using a c...


US Patent US10858355 (2020)


BindingDB Entry DOI: 10.7270/Q2BZ6945
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM474007
PNG
(N-(5-{2-[(1S)-1-Cyclopropylethyl]-7-(ethylsulfamoy...)
Show SMILES CCNS(=O)(=O)c1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1sc(NC(C)=O)nc1C |r|
Show InChI InChI=1S/C21H26N4O4S2/c1-5-22-31(28,29)17-9-15(19-11(2)23-21(30-19)24-13(4)26)8-16-10-25(20(27)18(16)17)12(3)14-6-7-14/h8-9,12,14,22H,5-7,10H2,1-4H3,(H,23,24,26)/t12-/m0/s1
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n/an/a 0.398n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The activity of recombinant human PI3Kγ (aa144-1102)-6His was determined by measuring the ADP level after phosphorylation of DiC8-PIP2 using a c...


US Patent US10858355 (2020)


BindingDB Entry DOI: 10.7270/Q2BZ6945
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM474028
PNG
(N-(5-{7-[(3-Cyanophenyl)sulfamoyl]-2-[(1S)-1-cyclo...)
Show SMILES C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(=O)(=O)Nc1cccc(c1)C#N)-c1sc(NC(C)=O)nc1C |r|
Show InChI InChI=1S/C26H25N5O4S2/c1-14-24(36-26(28-14)29-16(3)32)19-10-20-13-31(15(2)18-7-8-18)25(33)23(20)22(11-19)37(34,35)30-21-6-4-5-17(9-21)12-27/h4-6,9-11,15,18,30H,7-8,13H2,1-3H3,(H,28,29,32)/t15-/m0/s1
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n/an/a 0.501n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The activity of recombinant human PI3Kγ (aa144-1102)-6His was determined by measuring the ADP level after phosphorylation of DiC8-PIP2 using a c...


US Patent US10858355 (2020)


BindingDB Entry DOI: 10.7270/Q2BZ6945
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50274648
PNG
(CHEMBL4127396 | US10858355, Example 22)
Show SMILES C[C@@H](C1CC1)N1Cc2cc(cc(NS(C)(=O)=O)c2C1=O)-c1sc(NC(C)=O)nc1C |r|
Show InChI InChI=1S/C20H24N4O4S2/c1-10-18(29-20(21-10)22-12(3)25)14-7-15-9-24(11(2)13-5-6-13)19(26)17(15)16(8-14)23-30(4,27)28/h7-8,11,13,23H,5-6,9H2,1-4H3,(H,21,22,25)/t11-/m0/s1
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n/an/a 0.631n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The activity of recombinant human PI3Kγ (aa144-1102)-6His was determined by measuring the ADP level after phosphorylation of DiC8-PIP2 using a c...


US Patent US10858355 (2020)


BindingDB Entry DOI: 10.7270/Q2BZ6945
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM474015
PNG
(N-(5-{2-[(1S)-1-Cyclopropylethyl]-7-[(cyclopropyls...)
Show SMILES C[C@@H](C1CC1)N1Cc2cc(cc(NS(=O)(=O)C3CC3)c2C1=O)-c1sc(NC(C)=O)nc1C |r|
Show InChI InChI=1S/C22H26N4O4S2/c1-11-20(31-22(23-11)24-13(3)27)15-8-16-10-26(12(2)14-4-5-14)21(28)19(16)18(9-15)25-32(29,30)17-6-7-17/h8-9,12,14,17,25H,4-7,10H2,1-3H3,(H,23,24,27)/t12-/m0/s1
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n/an/a 0.631n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The activity of recombinant human PI3Kγ (aa144-1102)-6His was determined by measuring the ADP level after phosphorylation of DiC8-PIP2 using a c...


US Patent US10858355 (2020)


BindingDB Entry DOI: 10.7270/Q2BZ6945
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM474008
PNG
(N-(5-{2-[(1S)-1-Cyclopropylethyl]-7-(oxetan-3-ylsu...)
Show SMILES C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(=O)(=O)NC1COC1)-c1sc(NC(C)=O)nc1C |r|
Show InChI InChI=1S/C22H26N4O5S2/c1-11-20(32-22(23-11)24-13(3)27)15-6-16-8-26(12(2)14-4-5-14)21(28)19(16)18(7-15)33(29,30)25-17-9-31-10-17/h6-7,12,14,17,25H,4-5,8-10H2,1-3H3,(H,23,24,27)/t12-/m0/s1
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n/an/a 0.631n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The activity of recombinant human PI3Kγ (aa144-1102)-6His was determined by measuring the ADP level after phosphorylation of DiC8-PIP2 using a c...


US Patent US10858355 (2020)


BindingDB Entry DOI: 10.7270/Q2BZ6945
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM474012
PNG
(N-(5-{2-[(1S)-1-Cyclopropylethyl]-1-oxo-7-[(2,2,2-...)
Show SMILES C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(=O)(=O)NCC(F)(F)F)-c1sc(NC(C)=O)nc1C |r|
Show InChI InChI=1S/C21H23F3N4O4S2/c1-10-18(33-20(26-10)27-12(3)29)14-6-15-8-28(11(2)13-4-5-13)19(30)17(15)16(7-14)34(31,32)25-9-21(22,23)24/h6-7,11,13,25H,4-5,8-9H2,1-3H3,(H,26,27,29)/t11-/m0/s1
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n/an/a 0.631n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The activity of recombinant human PI3Kγ (aa144-1102)-6His was determined by measuring the ADP level after phosphorylation of DiC8-PIP2 using a c...


US Patent US10858355 (2020)


BindingDB Entry DOI: 10.7270/Q2BZ6945
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50274638
PNG
(CHEMBL4126156 | US10858355, Example 4)
Show SMILES C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(C)(=O)=O)-c1sc(NC(C)=O)nc1C |r|
Show InChI InChI=1S/C20H23N3O4S2/c1-10-18(28-20(21-10)22-12(3)24)14-7-15-9-23(11(2)13-5-6-13)19(25)17(15)16(8-14)29(4,26)27/h7-8,11,13H,5-6,9H2,1-4H3,(H,21,22,24)/t11-/m0/s1
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AstraZeneca AB

US Patent


Assay Description
The activity of recombinant human PI3Kγ (aa144-1102)-6His was determined by measuring the ADP level after phosphorylation of DiC8-PIP2 using a c...


US Patent US10858355 (2020)


BindingDB Entry DOI: 10.7270/Q2BZ6945
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50274649
PNG
(CHEMBL4129600 | US10858355, Example 30)
Show SMILES CNS(=O)(=O)c1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1sc(NC(C)=O)nc1C |r|
Show InChI InChI=1S/C20H24N4O4S2/c1-10-18(29-20(22-10)23-12(3)25)14-7-15-9-24(11(2)13-5-6-13)19(26)17(15)16(8-14)30(27,28)21-4/h7-8,11,13,21H,5-6,9H2,1-4H3,(H,22,23,25)/t11-/m0/s1
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AstraZeneca AB

US Patent


Assay Description
The activity of recombinant human PI3Kγ (aa144-1102)-6His was determined by measuring the ADP level after phosphorylation of DiC8-PIP2 using a c...


US Patent US10858355 (2020)


BindingDB Entry DOI: 10.7270/Q2BZ6945
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM473999
PNG
(N-(5-{2-[(1S)-1-Cyclopropylethyl]-7-(dimethylsulfa...)
Show SMILES C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(=O)(=O)N(C)C)-c1sc(NC(C)=O)nc1C |r|
Show InChI InChI=1S/C21H26N4O4S2/c1-11-19(30-21(22-11)23-13(3)26)15-8-16-10-25(12(2)14-6-7-14)20(27)18(16)17(9-15)31(28,29)24(4)5/h8-9,12,14H,6-7,10H2,1-5H3,(H,22,23,26)/t12-/m0/s1
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n/an/a 0.794n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The activity of recombinant human PI3Kγ (aa144-1102)-6His was determined by measuring the ADP level after phosphorylation of DiC8-PIP2 using a c...


US Patent US10858355 (2020)


BindingDB Entry DOI: 10.7270/Q2BZ6945
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50274648
PNG
(CHEMBL4127396 | US10858355, Example 22)
Show SMILES C[C@@H](C1CC1)N1Cc2cc(cc(NS(C)(=O)=O)c2C1=O)-c1sc(NC(C)=O)nc1C |r|
Show InChI InChI=1S/C20H24N4O4S2/c1-10-18(29-20(21-10)22-12(3)25)14-7-15-9-24(11(2)13-5-6-13)19(26)17(15)16(8-14)23-30(4,27)28/h7-8,11,13,23H,5-6,9H2,1-4H3,(H,21,22,25)/t11-/m0/s1
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n/an/a 0.794n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The activity of recombinant human PI3Kγ (aa144-1102)-6His was determined by measuring the ADP level after phosphorylation of DiC8-PIP2 using a c...


US Patent US10858355 (2020)


BindingDB Entry DOI: 10.7270/Q2BZ6945
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM474020
PNG
(US10858355, Example 28)
Show SMILES C[C@@H](C1CC1)N1Cc2cc(cc(NS(=O)(=O)CC3CC3)c2C1=O)-c1sc(NC(C)=O)nc1C |r|
Show InChI InChI=1S/C23H28N4O4S2/c1-12-21(32-23(24-12)25-14(3)28)17-8-18-10-27(13(2)16-6-7-16)22(29)20(18)19(9-17)26-33(30,31)11-15-4-5-15/h8-9,13,15-16,26H,4-7,10-11H2,1-3H3,(H,24,25,28)/t13-/m0/s1
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n/an/a 0.794n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The activity of recombinant human PI3Kγ (aa144-1102)-6His was determined by measuring the ADP level after phosphorylation of DiC8-PIP2 using a c...


US Patent US10858355 (2020)


BindingDB Entry DOI: 10.7270/Q2BZ6945
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM474017
PNG
(N-(5-{2-[(1S)-1-Cyclopropylethyl]-7-[(ethylsulfony...)
Show SMILES CCS(=O)(=O)Nc1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1sc(NC(C)=O)nc1C |r|
Show InChI InChI=1S/C21H26N4O4S2/c1-5-31(28,29)24-17-9-15(19-11(2)22-21(30-19)23-13(4)26)8-16-10-25(20(27)18(16)17)12(3)14-6-7-14/h8-9,12,14,24H,5-7,10H2,1-4H3,(H,22,23,26)/t12-/m0/s1
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AstraZeneca AB

US Patent


Assay Description
The activity of recombinant human PI3Kγ (aa144-1102)-6His was determined by measuring the ADP level after phosphorylation of DiC8-PIP2 using a c...


US Patent US10858355 (2020)


BindingDB Entry DOI: 10.7270/Q2BZ6945
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50274638
PNG
(CHEMBL4126156 | US10858355, Example 4)
Show SMILES C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(C)(=O)=O)-c1sc(NC(C)=O)nc1C |r|
Show InChI InChI=1S/C20H23N3O4S2/c1-10-18(28-20(21-10)22-12(3)24)14-7-15-9-23(11(2)13-5-6-13)19(25)17(15)16(8-14)29(4,26)27/h7-8,11,13H,5-6,9H2,1-4H3,(H,21,22,24)/t11-/m0/s1
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AstraZeneca AB

US Patent


Assay Description
The activity of recombinant human PI3Kγ (aa144-1102)-6His was determined by measuring the ADP level after phosphorylation of DiC8-PIP2 using a c...


US Patent US10858355 (2020)


BindingDB Entry DOI: 10.7270/Q2BZ6945
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50274639
PNG
(CHEMBL4128230 | US10858355, Example 18)
Show SMILES COCCNS(=O)(=O)c1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1sc(NC(C)=O)nc1C |r|
Show InChI InChI=1S/C22H28N4O5S2/c1-12-20(32-22(24-12)25-14(3)27)16-9-17-11-26(13(2)15-5-6-15)21(28)19(17)18(10-16)33(29,30)23-7-8-31-4/h9-10,13,15,23H,5-8,11H2,1-4H3,(H,24,25,27)/t13-/m0/s1
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AstraZeneca AB

US Patent


Assay Description
The activity of recombinant human PI3Kγ (aa144-1102)-6His was determined by measuring the ADP level after phosphorylation of DiC8-PIP2 using a c...


US Patent US10858355 (2020)


BindingDB Entry DOI: 10.7270/Q2BZ6945
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM473994
PNG
(N-(5-{2-[(1S)-1-Cyclopropylethyl]-7-(methylsulfony...)
Show SMILES C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(C)(=O)=O)-c1cnc(NC(C)=O)s1 |r|
Show InChI InChI=1S/C19H21N3O4S2/c1-10(12-4-5-12)22-9-14-6-13(15-8-20-19(27-15)21-11(2)23)7-16(28(3,25)26)17(14)18(22)24/h6-8,10,12H,4-5,9H2,1-3H3,(H,20,21,23)/t10-/m0/s1
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AstraZeneca AB

US Patent


Assay Description
The activity of recombinant human PI3Kγ (aa144-1102)-6His was determined by measuring the ADP level after phosphorylation of DiC8-PIP2 using a c...


US Patent US10858355 (2020)


BindingDB Entry DOI: 10.7270/Q2BZ6945
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM474006
PNG
(N-(5-{2-[(1S)-1-Cyclopropylethyl]-7-(cyclopropylsu...)
Show SMILES C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(=O)(=O)NC1CC1)-c1sc(NC(C)=O)nc1C |r|
Show InChI InChI=1S/C22H26N4O4S2/c1-11-20(31-22(23-11)24-13(3)27)15-8-16-10-26(12(2)14-4-5-14)21(28)19(16)18(9-15)32(29,30)25-17-6-7-17/h8-9,12,14,17,25H,4-7,10H2,1-3H3,(H,23,24,27)/t12-/m0/s1
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AstraZeneca AB

US Patent


Assay Description
The activity of recombinant human PI3Kγ (aa144-1102)-6His was determined by measuring the ADP level after phosphorylation of DiC8-PIP2 using a c...


US Patent US10858355 (2020)


BindingDB Entry DOI: 10.7270/Q2BZ6945
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM474005
PNG
(N-(5-{2-[(1S)-1-Cyclopropylethyl]-7-[(cyclopropyl-...)
Show SMILES C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(=O)(=O)NCC1CC1)-c1sc(NC(C)=O)nc1C |r|
Show InChI InChI=1S/C23H28N4O4S2/c1-12-21(32-23(25-12)26-14(3)28)17-8-18-11-27(13(2)16-6-7-16)22(29)20(18)19(9-17)33(30,31)24-10-15-4-5-15/h8-9,13,15-16,24H,4-7,10-11H2,1-3H3,(H,25,26,28)/t13-/m0/s1
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AstraZeneca AB

US Patent


Assay Description
The activity of recombinant human PI3Kγ (aa144-1102)-6His was determined by measuring the ADP level after phosphorylation of DiC8-PIP2 using a c...


US Patent US10858355 (2020)


BindingDB Entry DOI: 10.7270/Q2BZ6945
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM474000
PNG
(N-(5-{2-[(1S)-1-Cyclopropylethyl]-7-(methylsulfamo...)
Show SMILES CNS(=O)(=O)c1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1cnc(NC(C)=O)s1 |r|
Show InChI InChI=1S/C19H22N4O4S2/c1-10(12-4-5-12)23-9-14-6-13(15-8-21-19(28-15)22-11(2)24)7-16(17(14)18(23)25)29(26,27)20-3/h6-8,10,12,20H,4-5,9H2,1-3H3,(H,21,22,24)/t10-/m0/s1
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AstraZeneca AB

US Patent


Assay Description
The activity of recombinant human PI3Kγ (aa144-1102)-6His was determined by measuring the ADP level after phosphorylation of DiC8-PIP2 using a c...


US Patent US10858355 (2020)


BindingDB Entry DOI: 10.7270/Q2BZ6945
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM473997
PNG
(N-(5-{7-(Acetylamino)-2-[(1S)-1-cyclopropylethyl]-...)
Show SMILES C[C@@H](C1CC1)N1Cc2cc(cc(NC(C)=O)c2C1=O)-c1sc(NC(C)=O)nc1C |r|
Show InChI InChI=1S/C21H24N4O3S/c1-10-19(29-21(22-10)24-13(4)27)15-7-16-9-25(11(2)14-5-6-14)20(28)18(16)17(8-15)23-12(3)26/h7-8,11,14H,5-6,9H2,1-4H3,(H,23,26)(H,22,24,27)/t11-/m0/s1
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AstraZeneca AB

US Patent


Assay Description
The activity of recombinant human PI3Kγ (aa144-1102)-6His was determined by measuring the ADP level after phosphorylation of DiC8-PIP2 using a c...


US Patent US10858355 (2020)


BindingDB Entry DOI: 10.7270/Q2BZ6945
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM474029
PNG
(N-(5-{7-[(3-Cyanophenyl)sulfamoyl]-1-oxo-2-(propan...)
Show SMILES CC(C)N1Cc2cc(cc(c2C1=O)S(=O)(=O)Nc1cccc(c1)C#N)-c1sc(NC(C)=O)nc1C
Show InChI InChI=1S/C24H23N5O4S2/c1-13(2)29-12-18-9-17(22-14(3)26-24(34-22)27-15(4)30)10-20(21(18)23(29)31)35(32,33)28-19-7-5-6-16(8-19)11-25/h5-10,13,28H,12H2,1-4H3,(H,26,27,30)
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AstraZeneca AB

US Patent


Assay Description
The activity of recombinant human PI3Kγ (aa144-1102)-6His was determined by measuring the ADP level after phosphorylation of DiC8-PIP2 using a c...


US Patent US10858355 (2020)


BindingDB Entry DOI: 10.7270/Q2BZ6945
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM474027
PNG
(N-(4-Methyl-5-{7-(methylsulfamoyl)-1-oxo-2-[(2S)-1...)
Show SMILES CNS(=O)(=O)c1cc(cc2CN([C@@H](C)C(F)(F)F)C(=O)c12)-c1sc(NC(C)=O)nc1C |r|
Show InChI InChI=1S/C18H19F3N4O4S2/c1-8-15(30-17(23-8)24-10(3)26)11-5-12-7-25(9(2)18(19,20)21)16(27)14(12)13(6-11)31(28,29)22-4/h5-6,9,22H,7H2,1-4H3,(H,23,24,26)/t9-/m0/s1
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AstraZeneca AB

US Patent


Assay Description
The activity of recombinant human PI3Kγ (aa144-1102)-6His was determined by measuring the ADP level after phosphorylation of DiC8-PIP2 using a c...


US Patent US10858355 (2020)


BindingDB Entry DOI: 10.7270/Q2BZ6945
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM474024
PNG
(N-{5-[2-(2-Cyclopropylpropan-2-yl)-7-(methylsulfam...)
Show SMILES CNS(=O)(=O)c1cc(cc2CN(C(=O)c12)C(C)(C)C1CC1)-c1sc(NC(C)=O)nc1C
Show InChI InChI=1S/C21H26N4O4S2/c1-11-18(30-20(23-11)24-12(2)26)13-8-14-10-25(21(3,4)15-6-7-15)19(27)17(14)16(9-13)31(28,29)22-5/h8-9,15,22H,6-7,10H2,1-5H3,(H,23,24,26)
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AstraZeneca AB

US Patent


Assay Description
The activity of recombinant human PI3Kγ (aa144-1102)-6His was determined by measuring the ADP level after phosphorylation of DiC8-PIP2 using a c...


US Patent US10858355 (2020)


BindingDB Entry DOI: 10.7270/Q2BZ6945
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50274641
PNG
(CHEMBL4126010 | US10858355, Example 27)
Show SMILES COCCS(=O)(=O)Nc1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1sc(NC(C)=O)nc1C |r|
Show InChI InChI=1S/C22H28N4O5S2/c1-12-20(32-22(23-12)24-14(3)27)16-9-17-11-26(13(2)15-5-6-15)21(28)19(17)18(10-16)25-33(29,30)8-7-31-4/h9-10,13,15,25H,5-8,11H2,1-4H3,(H,23,24,27)/t13-/m0/s1
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AstraZeneca AB

US Patent


Assay Description
The activity of recombinant human PI3Kγ (aa144-1102)-6His was determined by measuring the ADP level after phosphorylation of DiC8-PIP2 using a c...


US Patent US10858355 (2020)


BindingDB Entry DOI: 10.7270/Q2BZ6945
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM474018
PNG
(N-(5-{7-[(tert-Butylsulfonyl)amino]-2-[(1S)-1-cycl...)
Show SMILES C[C@@H](C1CC1)N1Cc2cc(cc(NS(=O)(=O)C(C)(C)C)c2C1=O)-c1sc(NC(C)=O)nc1C |r|
Show InChI InChI=1S/C23H30N4O4S2/c1-12-20(32-22(24-12)25-14(3)28)16-9-17-11-27(13(2)15-7-8-15)21(29)19(17)18(10-16)26-33(30,31)23(4,5)6/h9-10,13,15,26H,7-8,11H2,1-6H3,(H,24,25,28)/t13-/m0/s1
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AstraZeneca AB

US Patent


Assay Description
The activity of recombinant human PI3Kγ (aa144-1102)-6His was determined by measuring the ADP level after phosphorylation of DiC8-PIP2 using a c...


US Patent US10858355 (2020)


BindingDB Entry DOI: 10.7270/Q2BZ6945
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM474016
PNG
(N-(5-{2-[(1S)-1-Cyclopropylethyl]-1-oxo-7-[(propyl...)
Show SMILES CCCS(=O)(=O)Nc1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1sc(NC(C)=O)nc1C |r|
Show InChI InChI=1S/C22H28N4O4S2/c1-5-8-32(29,30)25-18-10-16(20-12(2)23-22(31-20)24-14(4)27)9-17-11-26(21(28)19(17)18)13(3)15-6-7-15/h9-10,13,15,25H,5-8,11H2,1-4H3,(H,23,24,27)/t13-/m0/s1
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AstraZeneca AB

US Patent


Assay Description
The activity of recombinant human PI3Kγ (aa144-1102)-6His was determined by measuring the ADP level after phosphorylation of DiC8-PIP2 using a c...


US Patent US10858355 (2020)


BindingDB Entry DOI: 10.7270/Q2BZ6945
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM474002
PNG
(N-(5-{7-(Cyclobutylsulfamoyl)-2-[(1S)-1-cyclopropy...)
Show SMILES C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(=O)(=O)NC1CCC1)-c1sc(NC(C)=O)nc1C |r|
Show InChI InChI=1S/C23H28N4O4S2/c1-12-21(32-23(24-12)25-14(3)28)16-9-17-11-27(13(2)15-7-8-15)22(29)20(17)19(10-16)33(30,31)26-18-5-4-6-18/h9-10,13,15,18,26H,4-8,11H2,1-3H3,(H,24,25,28)/t13-/m0/s1
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AstraZeneca AB

US Patent


Assay Description
The activity of recombinant human PI3Kγ (aa144-1102)-6His was determined by measuring the ADP level after phosphorylation of DiC8-PIP2 using a c...


US Patent US10858355 (2020)


BindingDB Entry DOI: 10.7270/Q2BZ6945
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM474013
PNG
(N-{4-Methyl-5-[1-oxo-2-(propan-2-yl)-7-sulfamoyl-2...)
Show SMILES CC(C)N1Cc2cc(cc(c2C1=O)S(N)(=O)=O)-c1sc(NC(C)=O)nc1C
Show InChI InChI=1S/C17H20N4O4S2/c1-8(2)21-7-12-5-11(6-13(27(18,24)25)14(12)16(21)23)15-9(3)19-17(26-15)20-10(4)22/h5-6,8H,7H2,1-4H3,(H2,18,24,25)(H,19,20,22)
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AstraZeneca AB

US Patent


Assay Description
The activity of recombinant human PI3Kγ (aa144-1102)-6His was determined by measuring the ADP level after phosphorylation of DiC8-PIP2 using a c...


US Patent US10858355 (2020)


BindingDB Entry DOI: 10.7270/Q2BZ6945
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50274660
PNG
(CHEMBL4128537 | US10858355, Example 12)
Show SMILES C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(N)(=O)=O)-c1sc(NC(C)=O)nc1C |r|
Show InChI InChI=1S/C19H22N4O4S2/c1-9-17(28-19(21-9)22-11(3)24)13-6-14-8-23(10(2)12-4-5-12)18(25)16(14)15(7-13)29(20,26)27/h6-7,10,12H,4-5,8H2,1-3H3,(H2,20,26,27)(H,21,22,24)/t10-/m0/s1
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AstraZeneca AB

US Patent


Assay Description
The activity of recombinant human PI3Kγ (aa144-1102)-6His was determined by measuring the ADP level after phosphorylation of DiC8-PIP2 using a c...


US Patent US10858355 (2020)


BindingDB Entry DOI: 10.7270/Q2BZ6945
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM474009
PNG
(N-(5-{2-[(1S)-1-Cyclopropylethyl]-7-[(3,3-difluoro...)
Show SMILES C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(=O)(=O)NC1CC(F)(F)C1)-c1sc(NC(C)=O)nc1C |r|
Show InChI InChI=1S/C23H26F2N4O4S2/c1-11-20(34-22(26-11)27-13(3)30)15-6-16-10-29(12(2)14-4-5-14)21(31)19(16)18(7-15)35(32,33)28-17-8-23(24,25)9-17/h6-7,12,14,17,28H,4-5,8-10H2,1-3H3,(H,26,27,30)/t12-/m0/s1
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AstraZeneca AB

US Patent


Assay Description
The activity of recombinant human PI3Kγ (aa144-1102)-6His was determined by measuring the ADP level after phosphorylation of DiC8-PIP2 using a c...


US Patent US10858355 (2020)


BindingDB Entry DOI: 10.7270/Q2BZ6945
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50274649
PNG
(CHEMBL4129600 | US10858355, Example 30)
Show SMILES CNS(=O)(=O)c1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1sc(NC(C)=O)nc1C |r|
Show InChI InChI=1S/C20H24N4O4S2/c1-10-18(29-20(22-10)23-12(3)25)14-7-15-9-24(11(2)13-5-6-13)19(26)17(15)16(8-14)30(27,28)21-4/h7-8,11,13,21H,5-6,9H2,1-4H3,(H,22,23,25)/t11-/m0/s1
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AstraZeneca AB

US Patent


Assay Description
The activity of recombinant human PI3Kγ (aa144-1102)-6His was determined by measuring the ADP level after phosphorylation of DiC8-PIP2 using a c...


US Patent US10858355 (2020)


BindingDB Entry DOI: 10.7270/Q2BZ6945
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM474021
PNG
(N-[5-(2-[(1S)-1-Cyclopropylethyl]-7-{[(1,3-dimethy...)
Show SMILES C[C@@H](C1CC1)N1Cc2cc(cc(NS(=O)(=O)c3cn(C)nc3C)c2C1=O)-c1sc(NC(C)=O)nc1C |r|
Show InChI InChI=1S/C24H28N6O4S2/c1-12-20(11-29(5)27-12)36(33,34)28-19-9-17(22-13(2)25-24(35-22)26-15(4)31)8-18-10-30(23(32)21(18)19)14(3)16-6-7-16/h8-9,11,14,16,28H,6-7,10H2,1-5H3,(H,25,26,31)/t14-/m0/s1
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AstraZeneca AB

US Patent


Assay Description
The activity of recombinant human PI3Kγ (aa144-1102)-6His was determined by measuring the ADP level after phosphorylation of DiC8-PIP2 using a c...


US Patent US10858355 (2020)


BindingDB Entry DOI: 10.7270/Q2BZ6945
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM474026
PNG
(N-{5-[2-tert-Butyl-7-(methylsulfamoyl)-1-oxo-2,3-d...)
Show SMILES CNS(=O)(=O)c1cc(cc2CN(C(=O)c12)C(C)(C)C)-c1sc(NC(C)=O)nc1C
Show InChI InChI=1S/C19H24N4O4S2/c1-10-16(28-18(21-10)22-11(2)24)12-7-13-9-23(19(3,4)5)17(25)15(13)14(8-12)29(26,27)20-6/h7-8,20H,9H2,1-6H3,(H,21,22,24)
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AstraZeneca AB

US Patent


Assay Description
The activity of recombinant human PI3Kγ (aa144-1102)-6His was determined by measuring the ADP level after phosphorylation of DiC8-PIP2 using a c...


US Patent US10858355 (2020)


BindingDB Entry DOI: 10.7270/Q2BZ6945
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM474003
PNG
(N-{4-Methyl-5-[7-(methylsulfamoyl)-1-oxo-2-(propan...)
Show SMILES CNS(=O)(=O)c1cc(cc2CN(C(C)C)C(=O)c12)-c1sc(NC(C)=O)nc1C
Show InChI InChI=1S/C18H22N4O4S2/c1-9(2)22-8-13-6-12(16-10(3)20-18(27-16)21-11(4)23)7-14(15(13)17(22)24)28(25,26)19-5/h6-7,9,19H,8H2,1-5H3,(H,20,21,23)
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AstraZeneca AB

US Patent


Assay Description
The activity of recombinant human PI3Kγ (aa144-1102)-6His was determined by measuring the ADP level after phosphorylation of DiC8-PIP2 using a c...


US Patent US10858355 (2020)


BindingDB Entry DOI: 10.7270/Q2BZ6945
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM473995
PNG
(N-{4-Methyl-5-[7-(methylsulfonyl)-1-oxo-2-(propan-...)
Show SMILES CC(C)N1Cc2cc(cc(c2C1=O)S(C)(=O)=O)-c1sc(NC(C)=O)nc1C
Show InChI InChI=1S/C18H21N3O4S2/c1-9(2)21-8-13-6-12(7-14(27(5,24)25)15(13)17(21)23)16-10(3)19-18(26-16)20-11(4)22/h6-7,9H,8H2,1-5H3,(H,19,20,22)
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UniChem
US Patent
n/an/a 1.58n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The activity of recombinant human PI3Kγ (aa144-1102)-6His was determined by measuring the ADP level after phosphorylation of DiC8-PIP2 using a c...


US Patent US10858355 (2020)


BindingDB Entry DOI: 10.7270/Q2BZ6945
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM474025
PNG
(N-(5-{2-[(2S)-3,3-Dimethylbutan-2-yl]-7-(methylsul...)
Show SMILES CNS(=O)(=O)c1cc(cc2CN([C@@H](C)C(C)(C)C)C(=O)c12)-c1sc(NC(C)=O)nc1C |r|
Show InChI InChI=1S/C21H28N4O4S2/c1-11-18(30-20(23-11)24-13(3)26)14-8-15-10-25(12(2)21(4,5)6)19(27)17(15)16(9-14)31(28,29)22-7/h8-9,12,22H,10H2,1-7H3,(H,23,24,26)/t12-/m0/s1
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US Patent
n/an/a 1.58n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The activity of recombinant human PI3Kγ (aa144-1102)-6His was determined by measuring the ADP level after phosphorylation of DiC8-PIP2 using a c...


US Patent US10858355 (2020)


BindingDB Entry DOI: 10.7270/Q2BZ6945
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM474023
PNG
(6-(8-Aminoimidazo[1,2-a]pyrazin-3-yl)-2-[(1S)-1-cy...)
Show SMILES CNS(=O)(=O)c1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1cnc2c(N)nccn12 |r|
Show InChI InChI=1S/C20H22N6O3S/c1-11(12-3-4-12)26-10-14-7-13(8-16(17(14)20(26)27)30(28,29)22-2)15-9-24-19-18(21)23-5-6-25(15)19/h5-9,11-12,22H,3-4,10H2,1-2H3,(H2,21,23)/t11-/m0/s1
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US Patent
n/an/a 2n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The activity of recombinant human PI3Kγ (aa144-1102)-6His was determined by measuring the ADP level after phosphorylation of DiC8-PIP2 using a c...


US Patent US10858355 (2020)


BindingDB Entry DOI: 10.7270/Q2BZ6945
More data for this
Ligand-Target Pair