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Patent code US10112932

Compile Data Set for Download or QSAR
Found 62 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 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM50149477
PNG
(CHEMBL3770993 | US8242104, Compound 375)
Show SMILES CC(C)n1ncnc1-c1cn2CCOc3cc(ccc3-c2n1)N1CCC[C@H]1C(N)=O
Show InChI InChI=1S/C21H25N7O2/c1-13(2)28-21(23-12-24-28)16-11-26-8-9-30-18-10-14(5-6-15(18)20(26)25-16)27-7-3-4-17(27)19(22)29/h5-6,10-13,17H,3-4,7-9H2,1-2H3,(H2,22,29)/t17-/m0/s1
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US Patent
0.0160n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10112932 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM295675
PNG
(US8242104, Compound 469)
Show SMILES NC(=O)[C@@H]1CCCN1c1ccc2-c3nc(cn3CCOc2c1)-c1ncnn1CC(F)(F)F
Show InChI InChI=1S/C20H20F3N7O2/c21-20(22,23)10-30-19(25-11-26-30)14-9-28-6-7-32-16-8-12(3-4-13(16)18(28)27-14)29-5-1-2-15(29)17(24)31/h3-4,8-9,11,15H,1-2,5-7,10H2,(H2,24,31)/t15-/m0/s1
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<0.0200n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10112932 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM295679
PNG
(US8242104, Compound 529)
Show SMILES C[C@H](Nc1ccc2-c3nc(cn3CCOc2c1)-c1ncnn1CC(F)(F)F)C(N)=O
Show InChI InChI=1S/C18H18F3N7O2/c1-10(15(22)29)25-11-2-3-12-14(6-11)30-5-4-27-7-13(26-16(12)27)17-23-9-24-28(17)8-18(19,20)21/h2-3,6-7,9-10,25H,4-5,8H2,1H3,(H2,22,29)/t10-/m0/s1
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0.0230n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10112932 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM295665
PNG
((S)-2-((2-((S)-4-(difluoromethyl)- 2-oxooxazolidin...)
Show SMILES C[C@H](Nc1ccc2-c3nc(cn3CCOc2c1)N1[C@@H](COC1=O)C(F)F)C(N)=O
Show InChI InChI=1S/C18H19F2N5O4/c1-9(16(21)26)22-10-2-3-11-13(6-10)28-5-4-24-7-14(23-17(11)24)25-12(15(19)20)8-29-18(25)27/h2-3,6-7,9,12,15,22H,4-5,8H2,1H3,(H2,21,26)/t9-,12-/m0/s1
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0.0340n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10112932 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM295670
PNG
((S)-2-((2-((S)-4-(fluoromethyl)-2- oxooxazolidin-3...)
Show SMILES C[C@H](Nc1ccc2-c3nc(cn3CCOc2c1)N1[C@H](CF)COC1=O)C(N)=O
Show InChI InChI=1S/C18H20FN5O4/c1-10(16(20)25)21-11-2-3-13-14(6-11)27-5-4-23-8-15(22-17(13)23)24-12(7-19)9-28-18(24)26/h2-3,6,8,10,12,21H,4-5,7,9H2,1H3,(H2,20,25)/t10-,12+/m0/s1
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0.0400n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10112932 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM295671
PNG
((S)-2-((2-((S)-4-(difluoromethyl)- 2-oxooxazolidin...)
Show SMILES CC[C@H](Nc1ccc2-c3nc(cn3CCOc2c1)N1[C@@H](COC1=O)C(F)F)C(N)=O
Show InChI InChI=1S/C19H21F2N5O4/c1-2-12(17(22)27)23-10-3-4-11-14(7-10)29-6-5-25-8-15(24-18(11)25)26-13(16(20)21)9-30-19(26)28/h3-4,7-8,12-13,16,23H,2,5-6,9H2,1H3,(H2,22,27)/t12-,13-/m0/s1
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0.0480n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10112932 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM295669
PNG
((S)-2-cyclopropyl-2-((2-((S)-4- (fluoromethyl)-2-o...)
Show SMILES NC(=O)[C@@H](Nc1ccc2-c3nc(cn3CCOc2c1)N1[C@H](CF)COC1=O)C1CC1
Show InChI InChI=1S/C20H22FN5O4/c21-8-13-10-30-20(28)26(13)16-9-25-5-6-29-15-7-12(3-4-14(15)19(25)24-16)23-17(18(22)27)11-1-2-11/h3-4,7,9,11,13,17,23H,1-2,5-6,8,10H2,(H2,22,27)/t13-,17+/m1/s1
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0.0510n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10112932 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM295667
PNG
((S)-2-cyclopropyl-2-((2-((S)-4- (difluoromethyl)-2...)
Show SMILES OC(=N)[C@@H](Nc1ccc2-c3nc(cn3CCOc2c1)N1[C@@H](COC1=O)C(F)F)C1CC1
Show InChI InChI=1S/C20H21F2N5O4/c21-17(22)13-9-31-20(29)27(13)15-8-26-5-6-30-14-7-11(3-4-12(14)19(26)25-15)24-16(18(23)28)10-1-2-10/h3-4,7-8,10,13,16-17,24H,1-2,5-6,9H2,(H2,23,28)/t13-,16-/m0/s1
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0.0600n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10112932 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (human))
BDBM50434806
PNG
(2-(4-(2-(1-isopropyl-3-methyl-1H-1,2,4-triazol-5-y...)
Show SMILES CC(C)n1nc(C)nc1-c1cn2CCOc3cc(ccc3-c2n1)-c1cnn(c1)C(C)(C)C(N)=O
Show InChI InChI=1S/C24H28N8O2/c1-14(2)32-22(27-15(3)29-32)19-13-30-8-9-34-20-10-16(6-7-18(20)21(30)28-19)17-11-26-31(12-17)24(4,5)23(25)33/h6-7,10-14H,8-9H2,1-5H3,(H2,25,33)
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0.0790n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10112932 (2018)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM50434806
PNG
(2-(4-(2-(1-isopropyl-3-methyl-1H-1,2,4-triazol-5-y...)
Show SMILES CC(C)n1nc(C)nc1-c1cn2CCOc3cc(ccc3-c2n1)-c1cnn(c1)C(C)(C)C(N)=O
Show InChI InChI=1S/C24H28N8O2/c1-14(2)32-22(27-15(3)29-32)19-13-30-8-9-34-20-10-16(6-7-18(20)21(30)28-19)17-11-26-31(12-17)24(4,5)23(25)33/h6-7,10-14H,8-9H2,1-5H3,(H2,25,33)
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0.0900n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10112932 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM295686
PNG
(US8242104, Compound 550)
Show SMILES CC(C)n1ncnc1-c1cn2CCOc3cc(ccc3-c2n1)N(C)[C@@H](C)C(N)=O
Show InChI InChI=1S/C20H25N7O2/c1-12(2)27-20(22-11-23-27)16-10-26-7-8-29-17-9-14(25(4)13(3)18(21)28)5-6-15(17)19(26)24-16/h5-6,9-13H,7-8H2,1-4H3,(H2,21,28)/t13-/m0/s1
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0.107n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10112932 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM295676
PNG
(US8242104, Compound 486)
Show SMILES C[C@H](Oc1ccc2-c3nc(cn3CCOc2c1)-c1ncnn1CC(F)(F)F)C(N)=O
Show InChI InChI=1S/C18H17F3N6O3/c1-10(15(22)28)30-11-2-3-12-14(6-11)29-5-4-26-7-13(25-16(12)26)17-23-9-24-27(17)8-18(19,20)21/h2-3,6-7,9-10H,4-5,8H2,1H3,(H2,22,28)/t10-/m0/s1
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0.186n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10112932 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM50149548
PNG
(CHEMBL3771364 | US8242104, Compound 436)
Show SMILES CC(C)n1ncnc1-c1cn2CCOc3cc(O[C@@H](C)C(N)=O)ccc3-c2n1
Show InChI InChI=1S/C19H22N6O3/c1-11(2)25-19(21-10-22-25)15-9-24-6-7-27-16-8-13(28-12(3)17(20)26)4-5-14(16)18(24)23-15/h4-5,8-12H,6-7H2,1-3H3,(H2,20,26)/t12-/m0/s1
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0.350n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10112932 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (human))
BDBM295675
PNG
(US8242104, Compound 469)
Show SMILES NC(=O)[C@@H]1CCCN1c1ccc2-c3nc(cn3CCOc2c1)-c1ncnn1CC(F)(F)F
Show InChI InChI=1S/C20H20F3N7O2/c21-20(22,23)10-30-19(25-11-26-30)14-9-28-6-7-32-16-8-12(3-4-13(16)18(28)27-14)29-5-1-2-15(29)17(24)31/h3-4,8-9,11,15H,1-2,5-7,10H2,(H2,24,31)/t15-/m0/s1
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Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10112932 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (human))
BDBM50149477
PNG
(CHEMBL3770993 | US8242104, Compound 375)
Show SMILES CC(C)n1ncnc1-c1cn2CCOc3cc(ccc3-c2n1)N1CCC[C@H]1C(N)=O
Show InChI InChI=1S/C21H25N7O2/c1-13(2)28-21(23-12-24-28)16-11-26-8-9-30-18-10-14(5-6-15(18)20(26)25-16)27-7-3-4-17(27)19(22)29/h5-6,10-13,17H,3-4,7-9H2,1-2H3,(H2,22,29)/t17-/m0/s1
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Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10112932 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM295684
PNG
(US8242104, Compound 544)
Show SMILES CCn1ncnc1-c1cn2CCOc3cc(O[C@@H](C)C(N)=O)ccc3-c2n1
Show InChI InChI=1S/C18H20N6O3/c1-3-24-18(20-10-21-24)14-9-23-6-7-26-15-8-12(27-11(2)16(19)25)4-5-13(15)17(23)22-14/h4-5,8-11H,3,6-7H2,1-2H3,(H2,19,25)/t11-/m0/s1
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Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10112932 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM295668
PNG
((S)-2-cyclopropyl-2-((2-((R)-4- methyl-2-oxooxazol...)
Show SMILES C[C@@H]1COC(=O)N1c1cn2CCOc3cc(N[C@@H](C4CC4)C(N)=O)ccc3-c2n1
Show InChI InChI=1S/C20H23N5O4/c1-11-10-29-20(27)25(11)16-9-24-6-7-28-15-8-13(4-5-14(15)19(24)23-16)22-17(18(21)26)12-2-3-12/h4-5,8-9,11-12,17,22H,2-3,6-7,10H2,1H3,(H2,21,26)/t11-,17+/m1/s1
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0.464n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10112932 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM295685
PNG
(US8242104, Compound 549)
Show SMILES CC(C)n1ncnc1-c1cn2CCOc3cc(OC(C4CC4)C(N)=O)ccc3-c2n1
Show InChI InChI=1S/C21H24N6O3/c1-12(2)27-21(23-11-24-27)16-10-26-7-8-29-17-9-14(5-6-15(17)20(26)25-16)30-18(19(22)28)13-3-4-13/h5-6,9-13,18H,3-4,7-8H2,1-2H3,(H2,22,28)
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0.560n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10112932 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (human))
BDBM295687
PNG
(US8242104, Compound 356)
Show SMILES CC(C)(O)Cn1cc(cn1)-c1ccc2-c3nc(sc3CCOc2c1)N1C(=O)OCC1(C)C
Show InChI InChI=1S/C23H26N4O4S/c1-22(2)13-31-21(28)27(22)20-25-19-16-6-5-14(9-17(16)30-8-7-18(19)32-20)15-10-24-26(11-15)12-23(3,4)29/h5-6,9-11,29H,7-8,12-13H2,1-4H3
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0.920n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10112932 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM295666
PNG
((S)-2-cyclobutyl-2-((2-((R)-4- methyl-2-oxooxazoli...)
Show SMILES C[C@@H]1COC(=O)N1c1cn2CCOc3cc(N[C@@H](C4CCC4)C(N)=O)ccc3-c2n1
Show InChI InChI=1S/C21H25N5O4/c1-12-11-30-21(28)26(12)17-10-25-7-8-29-16-9-14(5-6-15(16)20(25)24-17)23-18(19(22)27)13-3-2-4-13/h5-6,9-10,12-13,18,23H,2-4,7-8,11H2,1H3,(H2,22,27)/t12-,18+/m1/s1
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0.949n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10112932 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM295687
PNG
(US8242104, Compound 356)
Show SMILES CC(C)(O)Cn1cc(cn1)-c1ccc2-c3nc(sc3CCOc2c1)N1C(=O)OCC1(C)C
Show InChI InChI=1S/C23H26N4O4S/c1-22(2)13-31-21(28)27(22)20-25-19-16-6-5-14(9-17(16)30-8-7-18(19)32-20)15-10-24-26(11-15)12-23(3,4)29/h5-6,9-11,29H,7-8,12-13H2,1-4H3
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0.967n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10112932 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (human))
BDBM295679
PNG
(US8242104, Compound 529)
Show SMILES C[C@H](Nc1ccc2-c3nc(cn3CCOc2c1)-c1ncnn1CC(F)(F)F)C(N)=O
Show InChI InChI=1S/C18H18F3N7O2/c1-10(15(22)29)25-11-2-3-12-14(6-11)30-5-4-27-7-13(26-16(12)27)17-23-9-24-28(17)8-18(19,20)21/h2-3,6-7,9-10,25H,4-5,8H2,1H3,(H2,22,29)/t10-/m0/s1
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1.05n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10112932 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (human))
BDBM50434806
PNG
(2-(4-(2-(1-isopropyl-3-methyl-1H-1,2,4-triazol-5-y...)
Show SMILES CC(C)n1nc(C)nc1-c1cn2CCOc3cc(ccc3-c2n1)-c1cnn(c1)C(C)(C)C(N)=O
Show InChI InChI=1S/C24H28N8O2/c1-14(2)32-22(27-15(3)29-32)19-13-30-8-9-34-20-10-16(6-7-18(20)21(30)28-19)17-11-26-31(12-17)24(4,5)23(25)33/h6-7,10-14H,8-9H2,1-5H3,(H2,25,33)
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1.43n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10112932 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (human))
BDBM25028
PNG
(4-[2-(1H-indazol-4-yl)-6-[(4-methanesulfonylpipera...)
Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
Show InChI InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27)
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1.54n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10112932 (2018)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (human))
BDBM295685
PNG
(US8242104, Compound 549)
Show SMILES CC(C)n1ncnc1-c1cn2CCOc3cc(OC(C4CC4)C(N)=O)ccc3-c2n1
Show InChI InChI=1S/C21H24N6O3/c1-12(2)27-21(23-11-24-27)16-10-26-7-8-29-17-9-14(5-6-15(17)20(26)25-16)30-18(19(22)28)13-3-4-13/h5-6,9-13,18H,3-4,7-8H2,1-2H3,(H2,22,28)
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1.70n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10112932 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (human))
BDBM295686
PNG
(US8242104, Compound 550)
Show SMILES CC(C)n1ncnc1-c1cn2CCOc3cc(ccc3-c2n1)N(C)[C@@H](C)C(N)=O
Show InChI InChI=1S/C20H25N7O2/c1-12(2)27-20(22-11-23-27)16-10-26-7-8-29-17-9-14(25(4)13(3)18(21)28)5-6-15(17)19(26)24-16/h5-6,9-13H,7-8H2,1-4H3,(H2,21,28)/t13-/m0/s1
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1.96n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10112932 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (human))
BDBM295676
PNG
(US8242104, Compound 486)
Show SMILES C[C@H](Oc1ccc2-c3nc(cn3CCOc2c1)-c1ncnn1CC(F)(F)F)C(N)=O
Show InChI InChI=1S/C18H17F3N6O3/c1-10(15(22)28)30-11-2-3-12-14(6-11)29-5-4-26-7-13(25-16(12)26)17-23-9-24-27(17)8-18(19,20)21/h2-3,6-7,9-10H,4-5,8H2,1H3,(H2,22,28)/t10-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10112932 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM25028
PNG
(4-[2-(1H-indazol-4-yl)-6-[(4-methanesulfonylpipera...)
Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
Show InChI InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27)
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2.56n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10112932 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM295682
PNG
(US8242104, Compound 540)
Show SMILES C[C@H](Oc1ccc2-c3nc(cn3CCOc2c1)-c1ncnn1C)C(N)=O
Show InChI InChI=1S/C17H18N6O3/c1-10(15(18)24)26-11-3-4-12-14(7-11)25-6-5-23-8-13(21-16(12)23)17-19-9-20-22(17)2/h3-4,7-10H,5-6H2,1-2H3,(H2,18,24)/t10-/m0/s1
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2.72n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10112932 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM295677
PNG
(US8242104, Compound 501)
Show SMILES CC(C)C(Oc1ccc2-c3nc(cn3CCOc2c1)-c1ncnn1CC(F)(F)F)C(N)=O
Show InChI InChI=1S/C20H21F3N6O3/c1-11(2)16(17(24)30)32-12-3-4-13-15(7-12)31-6-5-28-8-14(27-18(13)28)19-25-10-26-29(19)9-20(21,22)23/h3-4,7-8,10-11,16H,5-6,9H2,1-2H3,(H2,24,30)
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3.56n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10112932 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM295685
PNG
(US8242104, Compound 549)
Show SMILES CC(C)n1ncnc1-c1cn2CCOc3cc(OC(C4CC4)C(N)=O)ccc3-c2n1
Show InChI InChI=1S/C21H24N6O3/c1-12(2)27-21(23-11-24-27)16-10-26-7-8-29-17-9-14(5-6-15(17)20(26)25-16)30-18(19(22)28)13-3-4-13/h5-6,9-13,18H,3-4,7-8H2,1-2H3,(H2,22,28)
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5.66n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10112932 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (human))
BDBM50149548
PNG
(CHEMBL3771364 | US8242104, Compound 436)
Show SMILES CC(C)n1ncnc1-c1cn2CCOc3cc(O[C@@H](C)C(N)=O)ccc3-c2n1
Show InChI InChI=1S/C19H22N6O3/c1-11(2)25-19(21-10-22-25)15-9-24-6-7-27-16-8-13(28-12(3)17(20)26)4-5-14(16)18(24)23-15/h4-5,8-12H,6-7H2,1-3H3,(H2,20,26)/t12-/m0/s1
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6.94n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10112932 (2018)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (human))
BDBM295685
PNG
(US8242104, Compound 549)
Show SMILES CC(C)n1ncnc1-c1cn2CCOc3cc(OC(C4CC4)C(N)=O)ccc3-c2n1
Show InChI InChI=1S/C21H24N6O3/c1-12(2)27-21(23-11-24-27)16-10-26-7-8-29-17-9-14(5-6-15(17)20(26)25-16)30-18(19(22)28)13-3-4-13/h5-6,9-13,18H,3-4,7-8H2,1-2H3,(H2,22,28)
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9.41n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10112932 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (human))
BDBM295684
PNG
(US8242104, Compound 544)
Show SMILES CCn1ncnc1-c1cn2CCOc3cc(O[C@@H](C)C(N)=O)ccc3-c2n1
Show InChI InChI=1S/C18H20N6O3/c1-3-24-18(20-10-21-24)14-9-23-6-7-26-15-8-12(27-11(2)16(19)25)4-5-13(15)17(23)22-14/h4-5,8-11H,3,6-7H2,1-2H3,(H2,19,25)/t11-/m0/s1
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11.3n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10112932 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (human))
BDBM295665
PNG
((S)-2-((2-((S)-4-(difluoromethyl)- 2-oxooxazolidin...)
Show SMILES C[C@H](Nc1ccc2-c3nc(cn3CCOc2c1)N1[C@@H](COC1=O)C(F)F)C(N)=O
Show InChI InChI=1S/C18H19F2N5O4/c1-9(16(21)26)22-10-2-3-11-13(6-10)28-5-4-24-7-14(23-17(11)24)25-12(15(19)20)8-29-18(25)27/h2-3,6-7,9,12,15,22H,4-5,8H2,1H3,(H2,21,26)/t9-,12-/m0/s1
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12.2n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10112932 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (human))
BDBM295670
PNG
((S)-2-((2-((S)-4-(fluoromethyl)-2- oxooxazolidin-3...)
Show SMILES C[C@H](Nc1ccc2-c3nc(cn3CCOc2c1)N1[C@H](CF)COC1=O)C(N)=O
Show InChI InChI=1S/C18H20FN5O4/c1-10(16(20)25)21-11-2-3-13-14(6-11)27-5-4-23-8-15(22-17(13)23)24-12(7-19)9-28-18(24)26/h2-3,6,8,10,12,21H,4-5,7,9H2,1H3,(H2,20,25)/t10-,12+/m0/s1
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16.7n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10112932 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (human))
BDBM295671
PNG
((S)-2-((2-((S)-4-(difluoromethyl)- 2-oxooxazolidin...)
Show SMILES CC[C@H](Nc1ccc2-c3nc(cn3CCOc2c1)N1[C@@H](COC1=O)C(F)F)C(N)=O
Show InChI InChI=1S/C19H21F2N5O4/c1-2-12(17(22)27)23-10-3-4-11-14(7-10)29-6-5-25-8-15(24-18(11)25)26-13(16(20)21)9-30-19(26)28/h3-4,7-8,12-13,16,23H,2,5-6,9H2,1H3,(H2,22,27)/t12-,13-/m0/s1
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17.5n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10112932 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (human))
BDBM295670
PNG
((S)-2-((2-((S)-4-(fluoromethyl)-2- oxooxazolidin-3...)
Show SMILES C[C@H](Nc1ccc2-c3nc(cn3CCOc2c1)N1[C@H](CF)COC1=O)C(N)=O
Show InChI InChI=1S/C18H20FN5O4/c1-10(16(20)25)21-11-2-3-13-14(6-11)27-5-4-23-8-15(22-17(13)23)24-12(7-19)9-28-18(24)26/h2-3,6,8,10,12,21H,4-5,7,9H2,1H3,(H2,20,25)/t10-,12+/m0/s1
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17.8n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10112932 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (human))
BDBM295665
PNG
((S)-2-((2-((S)-4-(difluoromethyl)- 2-oxooxazolidin...)
Show SMILES C[C@H](Nc1ccc2-c3nc(cn3CCOc2c1)N1[C@@H](COC1=O)C(F)F)C(N)=O
Show InChI InChI=1S/C18H19F2N5O4/c1-9(16(21)26)22-10-2-3-11-13(6-10)28-5-4-24-7-14(23-17(11)24)25-12(15(19)20)8-29-18(25)27/h2-3,6-7,9,12,15,22H,4-5,8H2,1H3,(H2,21,26)/t9-,12-/m0/s1
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18.2n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10112932 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (human))
BDBM295677
PNG
(US8242104, Compound 501)
Show SMILES CC(C)C(Oc1ccc2-c3nc(cn3CCOc2c1)-c1ncnn1CC(F)(F)F)C(N)=O
Show InChI InChI=1S/C20H21F3N6O3/c1-11(2)16(17(24)30)32-12-3-4-13-15(7-12)31-6-5-28-8-14(27-18(13)28)19-25-10-26-29(19)9-20(21,22)23/h3-4,7-8,10-11,16H,5-6,9H2,1-2H3,(H2,24,30)
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21.8n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10112932 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (human))
BDBM295671
PNG
((S)-2-((2-((S)-4-(difluoromethyl)- 2-oxooxazolidin...)
Show SMILES CC[C@H](Nc1ccc2-c3nc(cn3CCOc2c1)N1[C@@H](COC1=O)C(F)F)C(N)=O
Show InChI InChI=1S/C19H21F2N5O4/c1-2-12(17(22)27)23-10-3-4-11-14(7-10)29-6-5-25-8-15(24-18(11)25)26-13(16(20)21)9-30-19(26)28/h3-4,7-8,12-13,16,23H,2,5-6,9H2,1H3,(H2,22,27)/t12-,13-/m0/s1
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23.7n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10112932 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (human))
BDBM50434806
PNG
(2-(4-(2-(1-isopropyl-3-methyl-1H-1,2,4-triazol-5-y...)
Show SMILES CC(C)n1nc(C)nc1-c1cn2CCOc3cc(ccc3-c2n1)-c1cnn(c1)C(C)(C)C(N)=O
Show InChI InChI=1S/C24H28N8O2/c1-14(2)32-22(27-15(3)29-32)19-13-30-8-9-34-20-10-16(6-7-18(20)21(30)28-19)17-11-26-31(12-17)24(4,5)23(25)33/h6-7,10-14H,8-9H2,1-5H3,(H2,25,33)
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23.7n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10112932 (2018)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM50434806
PNG
(2-(4-(2-(1-isopropyl-3-methyl-1H-1,2,4-triazol-5-y...)
Show SMILES CC(C)n1nc(C)nc1-c1cn2CCOc3cc(ccc3-c2n1)-c1cnn(c1)C(C)(C)C(N)=O
Show InChI InChI=1S/C24H28N8O2/c1-14(2)32-22(27-15(3)29-32)19-13-30-8-9-34-20-10-16(6-7-18(20)21(30)28-19)17-11-26-31(12-17)24(4,5)23(25)33/h6-7,10-14H,8-9H2,1-5H3,(H2,25,33)
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23.7n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10112932 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (human))
BDBM295682
PNG
(US8242104, Compound 540)
Show SMILES C[C@H](Oc1ccc2-c3nc(cn3CCOc2c1)-c1ncnn1C)C(N)=O
Show InChI InChI=1S/C17H18N6O3/c1-10(15(18)24)26-11-3-4-12-14(7-11)25-6-5-23-8-13(21-16(12)23)17-19-9-20-22(17)2/h3-4,7-10H,5-6H2,1-2H3,(H2,18,24)/t10-/m0/s1
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24.1n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10112932 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (human))
BDBM295669
PNG
((S)-2-cyclopropyl-2-((2-((S)-4- (fluoromethyl)-2-o...)
Show SMILES NC(=O)[C@@H](Nc1ccc2-c3nc(cn3CCOc2c1)N1[C@H](CF)COC1=O)C1CC1
Show InChI InChI=1S/C20H22FN5O4/c21-8-13-10-30-20(28)26(13)16-9-25-5-6-29-15-7-12(3-4-14(15)19(25)24-16)23-17(18(22)27)11-1-2-11/h3-4,7,9,11,13,17,23H,1-2,5-6,8,10H2,(H2,22,27)/t13-,17+/m1/s1
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30.3n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10112932 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (human))
BDBM295669
PNG
((S)-2-cyclopropyl-2-((2-((S)-4- (fluoromethyl)-2-o...)
Show SMILES NC(=O)[C@@H](Nc1ccc2-c3nc(cn3CCOc2c1)N1[C@H](CF)COC1=O)C1CC1
Show InChI InChI=1S/C20H22FN5O4/c21-8-13-10-30-20(28)26(13)16-9-25-5-6-29-15-7-12(3-4-14(15)19(25)24-16)23-17(18(22)27)11-1-2-11/h3-4,7,9,11,13,17,23H,1-2,5-6,8,10H2,(H2,22,27)/t13-,17+/m1/s1
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36.4n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10112932 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (human))
BDBM295667
PNG
((S)-2-cyclopropyl-2-((2-((S)-4- (difluoromethyl)-2...)
Show SMILES OC(=N)[C@@H](Nc1ccc2-c3nc(cn3CCOc2c1)N1[C@@H](COC1=O)C(F)F)C1CC1
Show InChI InChI=1S/C20H21F2N5O4/c21-17(22)13-9-31-20(29)27(13)15-8-26-5-6-30-14-7-11(3-4-12(14)19(26)25-15)24-16(18(23)28)10-1-2-10/h3-4,7-8,10,13,16-17,24H,1-2,5-6,9H2,(H2,23,28)/t13-,16-/m0/s1
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37.7n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10112932 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (human))
BDBM25028
PNG
(4-[2-(1H-indazol-4-yl)-6-[(4-methanesulfonylpipera...)
Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
Show InChI InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27)
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41.8n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10112932 (2018)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (human))
BDBM295667
PNG
((S)-2-cyclopropyl-2-((2-((S)-4- (difluoromethyl)-2...)
Show SMILES OC(=N)[C@@H](Nc1ccc2-c3nc(cn3CCOc2c1)N1[C@@H](COC1=O)C(F)F)C1CC1
Show InChI InChI=1S/C20H21F2N5O4/c21-17(22)13-9-31-20(29)27(13)15-8-26-5-6-30-14-7-11(3-4-12(14)19(26)25-15)24-16(18(23)28)10-1-2-10/h3-4,7-8,10,13,16-17,24H,1-2,5-6,9H2,(H2,23,28)/t13-,16-/m0/s1
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49n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10112932 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit beta


(Homo sapiens (human))
BDBM50434806
PNG
(2-(4-(2-(1-isopropyl-3-methyl-1H-1,2,4-triazol-5-y...)
Show SMILES CC(C)n1nc(C)nc1-c1cn2CCOc3cc(ccc3-c2n1)-c1cnn(c1)C(C)(C)C(N)=O
Show InChI InChI=1S/C24H28N8O2/c1-14(2)32-22(27-15(3)29-32)19-13-30-8-9-34-20-10-16(6-7-18(20)21(30)28-19)17-11-26-31(12-17)24(4,5)23(25)33/h6-7,10-14H,8-9H2,1-5H3,(H2,25,33)
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53n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10112932 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit beta


(Homo sapiens (human))
BDBM25028
PNG
(4-[2-(1H-indazol-4-yl)-6-[(4-methanesulfonylpipera...)
Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
Show InChI InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27)
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70.2n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10112932 (2018)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 3-kinase regulatory subunit beta


(Homo sapiens (human))
BDBM295665
PNG
((S)-2-((2-((S)-4-(difluoromethyl)- 2-oxooxazolidin...)
Show SMILES C[C@H](Nc1ccc2-c3nc(cn3CCOc2c1)N1[C@@H](COC1=O)C(F)F)C(N)=O
Show InChI InChI=1S/C18H19F2N5O4/c1-9(16(21)26)22-10-2-3-11-13(6-10)28-5-4-24-7-14(23-17(11)24)25-12(15(19)20)8-29-18(25)27/h2-3,6-7,9,12,15,22H,4-5,8H2,1H3,(H2,21,26)/t9-,12-/m0/s1
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99.7n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10112932 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit beta


(Homo sapiens (human))
BDBM295670
PNG
((S)-2-((2-((S)-4-(fluoromethyl)-2- oxooxazolidin-3...)
Show SMILES C[C@H](Nc1ccc2-c3nc(cn3CCOc2c1)N1[C@H](CF)COC1=O)C(N)=O
Show InChI InChI=1S/C18H20FN5O4/c1-10(16(20)25)21-11-2-3-13-14(6-11)27-5-4-23-8-15(22-17(13)23)24-12(7-19)9-28-18(24)26/h2-3,6,8,10,12,21H,4-5,7,9H2,1H3,(H2,20,25)/t10-,12+/m0/s1
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122n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10112932 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit beta


(Homo sapiens (human))
BDBM295671
PNG
((S)-2-((2-((S)-4-(difluoromethyl)- 2-oxooxazolidin...)
Show SMILES CC[C@H](Nc1ccc2-c3nc(cn3CCOc2c1)N1[C@@H](COC1=O)C(F)F)C(N)=O
Show InChI InChI=1S/C19H21F2N5O4/c1-2-12(17(22)27)23-10-3-4-11-14(7-10)29-6-5-25-8-15(24-18(11)25)26-13(16(20)21)9-30-19(26)28/h3-4,7-8,12-13,16,23H,2,5-6,9H2,1H3,(H2,22,27)/t12-,13-/m0/s1
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132n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10112932 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (human))
BDBM295668
PNG
((S)-2-cyclopropyl-2-((2-((R)-4- methyl-2-oxooxazol...)
Show SMILES C[C@@H]1COC(=O)N1c1cn2CCOc3cc(N[C@@H](C4CC4)C(N)=O)ccc3-c2n1
Show InChI InChI=1S/C20H23N5O4/c1-11-10-29-20(27)25(11)16-9-24-6-7-28-15-8-13(4-5-14(15)19(24)23-16)22-17(18(21)26)12-2-3-12/h4-5,8-9,11-12,17,22H,2-3,6-7,10H2,1H3,(H2,21,26)/t11-,17+/m1/s1
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197n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10112932 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (human))
BDBM295666
PNG
((S)-2-cyclobutyl-2-((2-((R)-4- methyl-2-oxooxazoli...)
Show SMILES C[C@@H]1COC(=O)N1c1cn2CCOc3cc(N[C@@H](C4CCC4)C(N)=O)ccc3-c2n1
Show InChI InChI=1S/C21H25N5O4/c1-12-11-30-21(28)26(12)17-10-25-7-8-29-16-9-14(5-6-15(16)20(25)24-17)23-18(19(22)27)13-3-2-4-13/h5-6,9-10,12-13,18,23H,2-4,7-8,11H2,1H3,(H2,22,27)/t12-,18+/m1/s1
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286n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10112932 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (human))
BDBM295668
PNG
((S)-2-cyclopropyl-2-((2-((R)-4- methyl-2-oxooxazol...)
Show SMILES C[C@@H]1COC(=O)N1c1cn2CCOc3cc(N[C@@H](C4CC4)C(N)=O)ccc3-c2n1
Show InChI InChI=1S/C20H23N5O4/c1-11-10-29-20(27)25(11)16-9-24-6-7-28-15-8-13(4-5-14(15)19(24)23-16)22-17(18(21)26)12-2-3-12/h4-5,8-9,11-12,17,22H,2-3,6-7,10H2,1H3,(H2,21,26)/t11-,17+/m1/s1
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289n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10112932 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit beta


(Homo sapiens (human))
BDBM295667
PNG
((S)-2-cyclopropyl-2-((2-((S)-4- (difluoromethyl)-2...)
Show SMILES OC(=N)[C@@H](Nc1ccc2-c3nc(cn3CCOc2c1)N1[C@@H](COC1=O)C(F)F)C1CC1
Show InChI InChI=1S/C20H21F2N5O4/c21-17(22)13-9-31-20(29)27(13)15-8-26-5-6-30-14-7-11(3-4-12(14)19(26)25-15)24-16(18(23)28)10-1-2-10/h3-4,7-8,10,13,16-17,24H,1-2,5-6,9H2,(H2,23,28)/t13-,16-/m0/s1
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335n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10112932 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit beta


(Homo sapiens (human))
BDBM295669
PNG
((S)-2-cyclopropyl-2-((2-((S)-4- (fluoromethyl)-2-o...)
Show SMILES NC(=O)[C@@H](Nc1ccc2-c3nc(cn3CCOc2c1)N1[C@H](CF)COC1=O)C1CC1
Show InChI InChI=1S/C20H22FN5O4/c21-8-13-10-30-20(28)26(13)16-9-25-5-6-29-15-7-12(3-4-14(15)19(25)24-16)23-17(18(22)27)11-1-2-11/h3-4,7,9,11,13,17,23H,1-2,5-6,8,10H2,(H2,22,27)/t13-,17+/m1/s1
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UniChem
US Patent
341n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10112932 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (human))
BDBM295666
PNG
((S)-2-cyclobutyl-2-((2-((R)-4- methyl-2-oxooxazoli...)
Show SMILES C[C@@H]1COC(=O)N1c1cn2CCOc3cc(N[C@@H](C4CCC4)C(N)=O)ccc3-c2n1
Show InChI InChI=1S/C21H25N5O4/c1-12-11-30-21(28)26(12)17-10-25-7-8-29-16-9-14(5-6-15(16)20(25)24-17)23-18(19(22)27)13-3-2-4-13/h5-6,9-10,12-13,18,23H,2-4,7-8,11H2,1H3,(H2,22,27)/t12-,18+/m1/s1
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708n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10112932 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit beta


(Homo sapiens (human))
BDBM295668
PNG
((S)-2-cyclopropyl-2-((2-((R)-4- methyl-2-oxooxazol...)
Show SMILES C[C@@H]1COC(=O)N1c1cn2CCOc3cc(N[C@@H](C4CC4)C(N)=O)ccc3-c2n1
Show InChI InChI=1S/C20H23N5O4/c1-11-10-29-20(27)25(11)16-9-24-6-7-28-15-8-13(4-5-14(15)19(24)23-16)22-17(18(21)26)12-2-3-12/h4-5,8-9,11-12,17,22H,2-3,6-7,10H2,1H3,(H2,21,26)/t11-,17+/m1/s1
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813n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10112932 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit beta


(Homo sapiens (human))
BDBM295666
PNG
((S)-2-cyclobutyl-2-((2-((R)-4- methyl-2-oxooxazoli...)
Show SMILES C[C@@H]1COC(=O)N1c1cn2CCOc3cc(N[C@@H](C4CCC4)C(N)=O)ccc3-c2n1
Show InChI InChI=1S/C21H25N5O4/c1-12-11-30-21(28)26(12)17-10-25-7-8-29-16-9-14(5-6-15(16)20(25)24-17)23-18(19(22)27)13-3-2-4-13/h5-6,9-10,12-13,18,23H,2-4,7-8,11H2,1H3,(H2,22,27)/t12-,18+/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10112932 (2018)

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