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Compile Data Set for Download or QSAR

Found 2131 hits Enz. Inhib. hit(s) with Target = 'Phosphoinositide 3-Kinase (PI3K), delta'   
Target
(Institution)
LigandTarget
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 class I


(Homo sapiens (human))
BDBM172655
PNG
(US9090628, 315 | US9090628, 316)
Show SMILES CC(C)N1CCCC(C1)n1nccc1-c1cc2-c3nc(cn3CCOc2cc1F)-c1nc(C)nn1C(C)C
Show InChI InChI=1/C28H35FN8O/c1-17(2)34-10-6-7-20(15-34)37-25(8-9-30-37)21-13-22-26(14-23(21)29)38-12-11-35-16-24(32-27(22)35)28-31-19(5)33-36(28)18(3)4/h8-9,13-14,16-18,20H,6-7,10-12,15H2,1-5H3
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US Patent
n/an/a<0.0350n/an/an/an/an/an/a



GENENTECH, INC.

US Patent


Assay Description
PI3K enzymatic activity was assayed by measuring the amount of product phosphatidylinositol 3,4,5-phosphate (PIP3) formed from substrate 4,5 phosphat...


US Patent US9090628 (2015)

More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (human))
BDBM172706
PNG
(US9090628, 366)
Show SMILES CC(C)N1CCN(C)C(C1)c1c(cnn1C)-c1ccc2-c3nc(cn3CCOc2c1)-c1nc(C)nn1C(C)C
Show InChI InChI=1/C29H39N9O/c1-18(2)36-11-10-34(6)25(17-36)27-23(15-30-35(27)7)21-8-9-22-26(14-21)39-13-12-37-16-24(32-28(22)37)29-31-20(5)33-38(29)19(3)4/h8-9,14-16,18-19,25H,10-13,17H2,1-7H3
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n/an/a<0.0350n/an/an/an/an/an/a



GENENTECH, INC.

US Patent


Assay Description
PI3K enzymatic activity was assayed by measuring the amount of product phosphatidylinositol 3,4,5-phosphate (PIP3) formed from substrate 4,5 phosphat...


US Patent US9090628 (2015)

More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (human))
BDBM172707
PNG
(US9090628, 367)
Show SMILES CC(C)[C@@H]1CN(CCN1C)c1c(cnn1C)-c1ccc2-c3nc(cn3CCOc2c1)-c1nc(C)nn1C(C)C
Show InChI InChI=1/C29H39N9O/c1-18(2)25-17-37(11-10-34(25)6)29-23(15-30-35(29)7)21-8-9-22-26(14-21)39-13-12-36-16-24(32-27(22)36)28-31-20(5)33-38(28)19(3)4/h8-9,14-16,18-19,25H,10-13,17H2,1-7H3/t25-/s2
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US Patent
n/an/a 0.0480n/an/an/an/an/an/a



GENENTECH, INC.

US Patent


Assay Description
PI3K enzymatic activity was assayed by measuring the amount of product phosphatidylinositol 3,4,5-phosphate (PIP3) formed from substrate 4,5 phosphat...


US Patent US9090628 (2015)

More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (human))
BDBM50064300
PNG
(CHEMBL3403664)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(c1-c1ccccc1)S(C)(=O)=O
Show InChI InChI=1/C23H19FN6O2S/c1-13(29-23-17(11-25)22(26)27-12-28-23)20-19(14-6-4-3-5-7-14)21(33(2,31)32)16-10-15(24)8-9-18(16)30-20/h3-10,12-13H,1-2H3,(H3,26,27,28,29)/t13-/s2
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n/an/a 0.100n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) assessed as inhibition of AKT phosphorylation by cell-based HTRF assay


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (human))
BDBM50319926
PNG
(2-(4-ethylpiperazin-1-yl)-N-(4-(2-morpholino-4-oxo...)
Show SMILES CCN1CCN(CC(=O)Nc2ccc(-c3cccc4c3oc(cc4=O)N3CCOCC3)c3sc4ccccc4c23)CC1
Show InChI InChI=1S/C33H34N4O4S/c1-2-35-12-14-36(15-13-35)21-29(39)34-26-11-10-23(33-31(26)25-6-3-4-9-28(25)42-33)22-7-5-8-24-27(38)20-30(41-32(22)24)37-16-18-40-19-17-37/h3-11,20H,2,12-19,21H2,1H3,(H,34,39)
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n/an/a<0.100n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of PI-3K delta (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (human))
BDBM172459
PNG
(US9090628, 101 | US9090628, 102 | US9090628, 103 |...)
Show SMILES CN1CCCCC1C1CCCN1c1cc2OCCn3cc(nc3-c2cn1)-c1nc(C)nn1CC(F)(F)F
Show InChI InChI=1/C25H31F3N8O/c1-16-30-24(36(32-16)15-25(26,27)28)18-14-34-10-11-37-21-12-22(29-13-17(21)23(34)31-18)35-9-5-7-20(35)19-6-3-4-8-33(19)2/h12-14,19-20H,3-11,15H2,1-2H3
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US Patent
n/an/a 0.102n/an/an/an/an/an/a



GENENTECH, INC.

US Patent


Assay Description
PI3K enzymatic activity was assayed by measuring the amount of product phosphatidylinositol 3,4,5-phosphate (PIP3) formed from substrate 4,5 phosphat...


US Patent US9090628 (2015)

More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (human))
BDBM172459
PNG
(US9090628, 101 | US9090628, 102 | US9090628, 103 |...)
Show SMILES CN1CCCCC1C1CCCN1c1cc2OCCn3cc(nc3-c2cn1)-c1nc(C)nn1CC(F)(F)F
Show InChI InChI=1/C25H31F3N8O/c1-16-30-24(36(32-16)15-25(26,27)28)18-14-34-10-11-37-21-12-22(29-13-17(21)23(34)31-18)35-9-5-7-20(35)19-6-3-4-8-33(19)2/h12-14,19-20H,3-11,15H2,1-2H3
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US Patent
n/an/a 0.106n/an/an/an/an/an/a



GENENTECH, INC.

US Patent


Assay Description
PI3K enzymatic activity was assayed by measuring the amount of product phosphatidylinositol 3,4,5-phosphate (PIP3) formed from substrate 4,5 phosphat...


US Patent US9090628 (2015)

More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (human))
BDBM172459
PNG
(US9090628, 101 | US9090628, 102 | US9090628, 103 |...)
Show SMILES CN1CCCCC1C1CCCN1c1cc2OCCn3cc(nc3-c2cn1)-c1nc(C)nn1CC(F)(F)F
Show InChI InChI=1/C25H31F3N8O/c1-16-30-24(36(32-16)15-25(26,27)28)18-14-34-10-11-37-21-12-22(29-13-17(21)23(34)31-18)35-9-5-7-20(35)19-6-3-4-8-33(19)2/h12-14,19-20H,3-11,15H2,1-2H3
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n/an/a 0.107n/an/an/an/an/an/a



GENENTECH, INC.

US Patent


Assay Description
PI3K enzymatic activity was assayed by measuring the amount of product phosphatidylinositol 3,4,5-phosphate (PIP3) formed from substrate 4,5 phosphat...


US Patent US9090628 (2015)

More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (human))
BDBM172682
PNG
(US9090628, 342)
Show SMILES CC(C)N1CCC[C@H](C1)C1CCN1c1ccc2-c3nc(cn3CCOc2c1)-c1nc(C)nn1C(C)C
Show InChI InChI=1/C28H39N7O/c1-18(2)32-11-6-7-21(16-32)25-10-12-34(25)22-8-9-23-26(15-22)36-14-13-33-17-24(30-27(23)33)28-29-20(5)31-35(28)19(3)4/h8-9,15,17-19,21,25H,6-7,10-14,16H2,1-5H3/t21-,25?/s2
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US Patent
n/an/a 0.160n/an/an/an/an/an/a



GENENTECH, INC.

US Patent


Assay Description
PI3K enzymatic activity was assayed by measuring the amount of product phosphatidylinositol 3,4,5-phosphate (PIP3) formed from substrate 4,5 phosphat...


US Patent US9090628 (2015)

More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (human))
BDBM172654
PNG
(US9090628, 314 | US9090628, 318 | US9090628, 320)
Show SMILES CC(C)n1nc(C)nc1-c1cn2CCOc3cc(ccc3-c2n1)N1CCCC11CCCN(C)C1
Show InChI InChI=1/C26H35N7O/c1-18(2)33-25(27-19(3)29-33)22-16-31-13-14-34-23-15-20(7-8-21(23)24(31)28-22)32-12-6-10-26(32)9-5-11-30(4)17-26/h7-8,15-16,18H,5-6,9-14,17H2,1-4H3
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US Patent
n/an/a 0.178n/an/an/an/an/an/a



GENENTECH, INC.

US Patent


Assay Description
PI3K enzymatic activity was assayed by measuring the amount of product phosphatidylinositol 3,4,5-phosphate (PIP3) formed from substrate 4,5 phosphat...


US Patent US9090628 (2015)

More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (human))
BDBM50403099
PNG
(CHEMBL2216892)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(NCCS(C)(=O)=O)c1-c1ccccc1
Show InChI InChI=1S/C25H24FN7O2S/c1-15(32-25-19(13-27)24(28)30-14-31-25)22-21(16-6-4-3-5-7-16)23(29-10-11-36(2,34)35)18-12-17(26)8-9-20(18)33-22/h3-9,12,14-15H,10-11H2,1-2H3,(H,29,33)(H3,28,30,31,32)/t15-/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) by biochemical Alphascreen assay


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (human))
BDBM172654
PNG
(US9090628, 314 | US9090628, 318 | US9090628, 320)
Show SMILES CC(C)n1nc(C)nc1-c1cn2CCOc3cc(ccc3-c2n1)N1CCCC11CCCN(C)C1
Show InChI InChI=1/C26H35N7O/c1-18(2)33-25(27-19(3)29-33)22-16-31-13-14-34-23-15-20(7-8-21(23)24(31)28-22)32-12-6-10-26(32)9-5-11-30(4)17-26/h7-8,15-16,18H,5-6,9-14,17H2,1-4H3
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US Patent
n/an/a 0.236n/an/an/an/an/an/a



GENENTECH, INC.

US Patent


Assay Description
PI3K enzymatic activity was assayed by measuring the amount of product phosphatidylinositol 3,4,5-phosphate (PIP3) formed from substrate 4,5 phosphat...


US Patent US9090628 (2015)

More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (human))
BDBM172588
PNG
(US9090628, 248 | US9090628, 309 | US9090628, 310)
Show SMILES CC(C)n1nc(C)nc1-c1cn2CCOc3cc(ccc3-c2n1)-c1cnn(C)c1C1CCCN(C1)C(C)(C)CO
Show InChI InChI=1/C30H40N8O2/c1-19(2)38-29(32-20(3)34-38)25-17-36-12-13-40-26-14-21(9-10-23(26)28(36)33-25)24-15-31-35(6)27(24)22-8-7-11-37(16-22)30(4,5)18-39/h9-10,14-15,17,19,22,39H,7-8,11-13,16,18H2,1-6H3
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US Patent
n/an/a 0.262n/an/an/an/an/an/a



GENENTECH, INC.

US Patent


Assay Description
PI3K enzymatic activity was assayed by measuring the amount of product phosphatidylinositol 3,4,5-phosphate (PIP3) formed from substrate 4,5 phosphat...


US Patent US9090628 (2015)

More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (human))
BDBM172686
PNG
(US9090628, 346 | US9090628, 348)
Show SMILES CC(C)n1nc(C)nc1-c1cn2CCOc3cc(ccc3-c2n1)N1CCCC1CN(C)C
Show InChI InChI=1/C24H33N7O/c1-16(2)31-24(25-17(3)27-31)21-15-29-11-12-32-22-13-18(8-9-20(22)23(29)26-21)30-10-6-7-19(30)14-28(4)5/h8-9,13,15-16,19H,6-7,10-12,14H2,1-5H3
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US Patent
n/an/a 0.288n/an/an/an/an/an/a



GENENTECH, INC.

US Patent


Assay Description
PI3K enzymatic activity was assayed by measuring the amount of product phosphatidylinositol 3,4,5-phosphate (PIP3) formed from substrate 4,5 phosphat...


US Patent US9090628 (2015)

More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (human))
BDBM172606
PNG
(US9090628, 266 | US9090628, 287 | US9090628, 288)
Show SMILES CC(C)n1nc(C)nc1-c1cn2CCOc3cc(ccc3-c2n1)-c1ccnn1C1CCCN(C1)C(C)(C)CO
Show InChI InChI=1/C29H38N8O2/c1-19(2)36-28(31-20(3)33-36)24-17-34-13-14-39-26-15-21(8-9-23(26)27(34)32-24)25-10-11-30-37(25)22-7-6-12-35(16-22)29(4,5)18-38/h8-11,15,17,19,22,38H,6-7,12-14,16,18H2,1-5H3
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n/an/a 0.292n/an/an/an/an/an/a



GENENTECH, INC.

US Patent


Assay Description
PI3K enzymatic activity was assayed by measuring the amount of product phosphatidylinositol 3,4,5-phosphate (PIP3) formed from substrate 4,5 phosphat...


US Patent US9090628 (2015)

More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (human))
BDBM172619
PNG
(US9090628, 279 | US9090628, 291 | US9090628, 292)
Show SMILES CC(C)N1CCCC(C1)c1c(cnn1C)-c1ccc2-c3nc(cn3CCOc2c1)-c1nc(C)nn1C(C)C
Show InChI InChI=1/C29H38N8O/c1-18(2)35-11-7-8-22(16-35)27-24(15-30-34(27)6)21-9-10-23-26(14-21)38-13-12-36-17-25(32-28(23)36)29-31-20(5)33-37(29)19(3)4/h9-10,14-15,17-19,22H,7-8,11-13,16H2,1-6H3
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US Patent
n/an/a 0.293n/an/an/an/an/an/a



GENENTECH, INC.

US Patent


Assay Description
PI3K enzymatic activity was assayed by measuring the amount of product phosphatidylinositol 3,4,5-phosphate (PIP3) formed from substrate 4,5 phosphat...


US Patent US9090628 (2015)

More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (human))
BDBM50403067
PNG
(CHEMBL2216876)
Show SMILES Cc1ccccc1-n1c(Cn2nc(-c3cc(O)cc(F)c3)c3c(N)ncnc23)cc2cccc(C)c2c1=O
Show InChI InChI=1S/C29H23FN6O2/c1-16-6-3-4-9-23(16)36-21(11-18-8-5-7-17(2)24(18)29(36)38)14-35-28-25(27(31)32-15-33-28)26(34-35)19-10-20(30)13-22(37)12-19/h3-13,15,37H,14H2,1-2H3,(H2,31,32,33)
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n/an/a 0.300n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (human))
BDBM172700
PNG
(US9090628, 360 | US9090628, 361)
Show SMILES CC(C)N1CCCC(C1)c1[nH]ncc1-c1ccc2-c3nc(cn3CCOc2c1)-c1nc(C)nn1C(C)C
Show InChI InChI=1/C28H36N8O/c1-17(2)34-10-6-7-21(15-34)26-23(14-29-32-26)20-8-9-22-25(13-20)37-12-11-35-16-24(31-27(22)35)28-30-19(5)33-36(28)18(3)4/h8-9,13-14,16-18,21H,6-7,10-12,15H2,1-5H3,(H,29,32)
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n/an/a 0.311n/an/an/an/an/an/a



GENENTECH, INC.

US Patent


Assay Description
PI3K enzymatic activity was assayed by measuring the amount of product phosphatidylinositol 3,4,5-phosphate (PIP3) formed from substrate 4,5 phosphat...


US Patent US9090628 (2015)

More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (human))
BDBM172665
PNG
(US9090628, 325)
Show SMILES CC(C)n1nc(C)nc1-c1cn2CCOc3cc(ccc3-c2n1)N1CCC[C@H]1CN1CCCC1
Show InChI InChI=1/C26H35N7O/c1-18(2)33-26(27-19(3)29-33)23-17-31-13-14-34-24-15-20(8-9-22(24)25(31)28-23)32-12-6-7-21(32)16-30-10-4-5-11-30/h8-9,15,17-18,21H,4-7,10-14,16H2,1-3H3/t21-/s2
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n/an/a 0.313n/an/an/an/an/an/a



GENENTECH, INC.

US Patent


Assay Description
PI3K enzymatic activity was assayed by measuring the amount of product phosphatidylinositol 3,4,5-phosphate (PIP3) formed from substrate 4,5 phosphat...


US Patent US9090628 (2015)

More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (human))
BDBM172693
PNG
(US9090628, 353 | US9090628, 355)
Show SMILES CC(C)n1nc(C)nc1-c1cn2CCOc3cc(F)c(cc3-c2n1)-c1ccnn1C1CCCN(C1)C(C)(C)CO
Show InChI InChI=1/C29H37FN8O2/c1-18(2)37-28(32-19(3)34-37)24-16-35-11-12-40-26-14-23(30)21(13-22(26)27(35)33-24)25-8-9-31-38(25)20-7-6-10-36(15-20)29(4,5)17-39/h8-9,13-14,16,18,20,39H,6-7,10-12,15,17H2,1-5H3
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n/an/a 0.314n/an/an/an/an/an/a



GENENTECH, INC.

US Patent


Assay Description
PI3K enzymatic activity was assayed by measuring the amount of product phosphatidylinositol 3,4,5-phosphate (PIP3) formed from substrate 4,5 phosphat...


US Patent US9090628 (2015)

More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (human))
BDBM172619
PNG
(US9090628, 279 | US9090628, 291 | US9090628, 292)
Show SMILES CC(C)N1CCCC(C1)c1c(cnn1C)-c1ccc2-c3nc(cn3CCOc2c1)-c1nc(C)nn1C(C)C
Show InChI InChI=1/C29H38N8O/c1-18(2)35-11-7-8-22(16-35)27-24(15-30-34(27)6)21-9-10-23-26(14-21)38-13-12-36-17-25(32-28(23)36)29-31-20(5)33-37(29)19(3)4/h9-10,14-15,17-19,22H,7-8,11-13,16H2,1-6H3
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n/an/a 0.324n/an/an/an/an/an/a



GENENTECH, INC.

US Patent


Assay Description
PI3K enzymatic activity was assayed by measuring the amount of product phosphatidylinositol 3,4,5-phosphate (PIP3) formed from substrate 4,5 phosphat...


US Patent US9090628 (2015)

More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (human))
BDBM172654
PNG
(US9090628, 314 | US9090628, 318 | US9090628, 320)
Show SMILES CC(C)n1nc(C)nc1-c1cn2CCOc3cc(ccc3-c2n1)N1CCCC11CCCN(C)C1
Show InChI InChI=1/C26H35N7O/c1-18(2)33-25(27-19(3)29-33)22-16-31-13-14-34-23-15-20(7-8-21(23)24(31)28-22)32-12-6-10-26(32)9-5-11-30(4)17-26/h7-8,15-16,18H,5-6,9-14,17H2,1-4H3
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n/an/a 0.335n/an/an/an/an/an/a



GENENTECH, INC.

US Patent


Assay Description
PI3K enzymatic activity was assayed by measuring the amount of product phosphatidylinositol 3,4,5-phosphate (PIP3) formed from substrate 4,5 phosphat...


US Patent US9090628 (2015)

More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (human))
BDBM172698
PNG
(US9090628, 358 | US9090628, 359)
Show SMILES CC(C)N1CCCC(C1)c1c(cnn1C)-c1cc2-c3nc(cn3CCOc2cc1F)-c1nc(C)nn1C(C)C
Show InChI InChI=1/C29H37FN8O/c1-17(2)36-9-7-8-20(15-36)27-23(14-31-35(27)6)21-12-22-26(13-24(21)30)39-11-10-37-16-25(33-28(22)37)29-32-19(5)34-38(29)18(3)4/h12-14,16-18,20H,7-11,15H2,1-6H3
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n/an/a 0.370n/an/an/an/an/an/a



GENENTECH, INC.

US Patent


Assay Description
PI3K enzymatic activity was assayed by measuring the amount of product phosphatidylinositol 3,4,5-phosphate (PIP3) formed from substrate 4,5 phosphat...


US Patent US9090628 (2015)

More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (human))
BDBM50064305
PNG
(CHEMBL3403669)
Show SMILES CC(Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(NCCO)c1-c1ccccc1
Show InChI InChI=1/C24H22FN7O/c1-14(31-24-18(12-26)23(27)29-13-30-24)21-20(15-5-3-2-4-6-15)22(28-9-10-33)17-11-16(25)7-8-19(17)32-21/h2-8,11,13-14,33H,9-10H2,1H3,(H,28,32)(H3,27,29,30,31)
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n/an/a 0.400n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) by biochemical Alphascreen assay


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (human))
BDBM198028
PNG
(US9221795, 24)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(F)ccc(Cl)c2c(=O)n1-c1cccnc1
Show InChI InChI=1/C20H15ClFN9O/c1-9(27-17-11(7-23)16(24)29-20(25)30-17)18-28-15-13(22)5-4-12(21)14(15)19(32)31(18)10-3-2-6-26-8-10/h2-6,8-9H,1H3,(H5,24,25,27,29,30)/t9-/s2
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n/an/a 0.400n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Class I PI3K isoforms were expressed and purified as heterodimeric recombinant proteins. All assay reagents and buffers for the TR-FRET assay were pu...


US Patent US9221795 (2015)

More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (human))
BDBM50341056
PNG
(5-(1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-1H-benz...)
Show SMILES Cc1nc(N)nc(n1)-n1c(Nc2cc(O)cc(O)c2)nc2ccccc12
Show InChI InChI=1S/C17H15N7O2/c1-9-19-15(18)23-16(20-9)24-14-5-3-2-4-13(14)22-17(24)21-10-6-11(25)8-12(26)7-10/h2-8,25-26H,1H3,(H,21,22)(H2,18,19,20,23)
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n/an/a 0.400n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (human))
BDBM198044
PNG
(BDBM198045 | US9221795, 40)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cnccc1C
Show InChI InChI=1/C21H18ClN9O/c1-10-6-7-26-9-15(10)31-19(28-14-5-3-4-13(22)16(14)20(31)32)11(2)27-18-12(8-23)17(24)29-21(25)30-18/h3-7,9,11H,1-2H3,(H5,24,25,27,29,30)/t11-/s2
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n/an/a 0.400n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Class I PI3K isoforms were expressed and purified as heterodimeric recombinant proteins. All assay reagents and buffers for the TR-FRET assay were pu...


US Patent US9221795 (2015)

More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (human))
BDBM198011
PNG
(US9221795, 7)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(C)c2c(=O)n1-c1cccnc1
Show InChI InChI=1/C21H19N9O/c1-11-5-3-7-15-16(11)20(31)30(13-6-4-8-25-10-13)19(27-15)12(2)26-18-14(9-22)17(23)28-21(24)29-18/h3-8,10,12H,1-2H3,(H5,23,24,26,28,29)/t12-/s2
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n/an/a 0.400n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Class I PI3K isoforms were expressed and purified as heterodimeric recombinant proteins. All assay reagents and buffers for the TR-FRET assay were pu...


US Patent US9221795 (2015)

More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (human))
BDBM172693
PNG
(US9090628, 353 | US9090628, 355)
Show SMILES CC(C)n1nc(C)nc1-c1cn2CCOc3cc(F)c(cc3-c2n1)-c1ccnn1C1CCCN(C1)C(C)(C)CO
Show InChI InChI=1/C29H37FN8O2/c1-18(2)37-28(32-19(3)34-37)24-16-35-11-12-40-26-14-23(30)21(13-22(26)27(35)33-24)25-8-9-31-38(25)20-7-6-10-36(15-20)29(4,5)17-39/h8-9,13-14,16,18,20,39H,6-7,10-12,15,17H2,1-5H3
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n/an/a 0.415n/an/an/an/an/an/a



GENENTECH, INC.

US Patent


Assay Description
PI3K enzymatic activity was assayed by measuring the amount of product phosphatidylinositol 3,4,5-phosphate (PIP3) formed from substrate 4,5 phosphat...


US Patent US9090628 (2015)

More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (human))
BDBM172666
PNG
(US9090628, 326)
Show SMILES CC(C)n1nc(C)nc1-c1cn2CCOc3cc(ccc3-c2n1)N1CCC[C@@H]1CN1CCCC1
Show InChI InChI=1/C26H35N7O/c1-18(2)33-26(27-19(3)29-33)23-17-31-13-14-34-24-15-20(8-9-22(24)25(31)28-23)32-12-6-7-21(32)16-30-10-4-5-11-30/h8-9,15,17-18,21H,4-7,10-14,16H2,1-3H3/t21-/s2
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n/an/a 0.416n/an/an/an/an/an/a



GENENTECH, INC.

US Patent


Assay Description
PI3K enzymatic activity was assayed by measuring the amount of product phosphatidylinositol 3,4,5-phosphate (PIP3) formed from substrate 4,5 phosphat...


US Patent US9090628 (2015)

More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (human))
BDBM172626
PNG
(US9090628, 286 | US9090628, 307 | US9090628, 308)
Show SMILES CC(C)n1nc(C)nc1-c1cn2CCOc3cc(ccc3-c2n1)N1CCC1C1CCN(C)CC1
Show InChI InChI=1/C26H35N7O/c1-17(2)33-26(27-18(3)29-33)22-16-31-13-14-34-24-15-20(5-6-21(24)25(31)28-22)32-12-9-23(32)19-7-10-30(4)11-8-19/h5-6,15-17,19,23H,7-14H2,1-4H3
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n/an/a 0.419n/an/an/an/an/an/a



GENENTECH, INC.

US Patent


Assay Description
PI3K enzymatic activity was assayed by measuring the amount of product phosphatidylinositol 3,4,5-phosphate (PIP3) formed from substrate 4,5 phosphat...


US Patent US9090628 (2015)

More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (human))
BDBM172655
PNG
(US9090628, 315 | US9090628, 316)
Show SMILES CC(C)N1CCCC(C1)n1nccc1-c1cc2-c3nc(cn3CCOc2cc1F)-c1nc(C)nn1C(C)C
Show InChI InChI=1/C28H35FN8O/c1-17(2)34-10-6-7-20(15-34)37-25(8-9-30-37)21-13-22-26(14-23(21)29)38-12-11-35-16-24(32-27(22)35)28-31-19(5)33-36(28)18(3)4/h8-9,13-14,16-18,20H,6-7,10-12,15H2,1-5H3
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n/an/a 0.440n/an/an/an/an/an/a



GENENTECH, INC.

US Patent


Assay Description
PI3K enzymatic activity was assayed by measuring the amount of product phosphatidylinositol 3,4,5-phosphate (PIP3) formed from substrate 4,5 phosphat...


US Patent US9090628 (2015)

More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (human))
BDBM172496
PNG
(US9090628, 143)
Show SMILES CC(C)N1CCC(CC1)C(C)Oc1ccc2-c3nc(cn3CCOc2c1)-c1ncnn1C(C)C
Show InChI InChI=1/C26H36N6O2/c1-17(2)30-10-8-20(9-11-30)19(5)34-21-6-7-22-24(14-21)33-13-12-31-15-23(29-25(22)31)26-27-16-28-32(26)18(3)4/h6-7,14-20H,8-13H2,1-5H3
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US Patent
n/an/a 0.442n/an/an/an/an/an/a



GENENTECH, INC.

US Patent


Assay Description
PI3K enzymatic activity was assayed by measuring the amount of product phosphatidylinositol 3,4,5-phosphate (PIP3) formed from substrate 4,5 phosphat...


US Patent US9090628 (2015)

More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (human))
BDBM172588
PNG
(US9090628, 248 | US9090628, 309 | US9090628, 310)
Show SMILES CC(C)n1nc(C)nc1-c1cn2CCOc3cc(ccc3-c2n1)-c1cnn(C)c1C1CCCN(C1)C(C)(C)CO
Show InChI InChI=1/C30H40N8O2/c1-19(2)38-29(32-20(3)34-38)25-17-36-12-13-40-26-14-21(9-10-23(26)28(36)33-25)24-15-31-35(6)27(24)22-8-7-11-37(16-22)30(4,5)18-39/h9-10,14-15,17,19,22,39H,7-8,11-13,16,18H2,1-6H3
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n/an/a 0.445n/an/an/an/an/an/a



GENENTECH, INC.

US Patent


Assay Description
PI3K enzymatic activity was assayed by measuring the amount of product phosphatidylinositol 3,4,5-phosphate (PIP3) formed from substrate 4,5 phosphat...


US Patent US9090628 (2015)

More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (human))
BDBM172686
PNG
(US9090628, 346 | US9090628, 348)
Show SMILES CC(C)n1nc(C)nc1-c1cn2CCOc3cc(ccc3-c2n1)N1CCCC1CN(C)C
Show InChI InChI=1/C24H33N7O/c1-16(2)31-24(25-17(3)27-31)21-15-29-11-12-32-22-13-18(8-9-20(22)23(29)26-21)30-10-6-7-19(30)14-28(4)5/h8-9,13,15-16,19H,6-7,10-12,14H2,1-5H3
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n/an/a 0.445n/an/an/an/an/an/a



GENENTECH, INC.

US Patent


Assay Description
PI3K enzymatic activity was assayed by measuring the amount of product phosphatidylinositol 3,4,5-phosphate (PIP3) formed from substrate 4,5 phosphat...


US Patent US9090628 (2015)

More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (human))
BDBM172639
PNG
(US9090628, 299)
Show SMILES CC(C)n1nc(C)nc1-c1cn2CCOc3cc(C)c(cc3-c2n1)[C@@H](C)N1CCN(CC1)C(C)(C)C
Show InChI InChI=1/C28H41N7O/c1-18(2)35-27(29-21(5)31-35)24-17-33-13-14-36-25-15-19(3)22(16-23(25)26(33)30-24)20(4)32-9-11-34(12-10-32)28(6,7)8/h15-18,20H,9-14H2,1-8H3/t20-/s2
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n/an/a 0.479n/an/an/an/an/an/a



GENENTECH, INC.

US Patent


Assay Description
PI3K enzymatic activity was assayed by measuring the amount of product phosphatidylinositol 3,4,5-phosphate (PIP3) formed from substrate 4,5 phosphat...


US Patent US9090628 (2015)

More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (human))
BDBM50394916
PNG
(CHEMBL2165506)
Show SMILES CC(C)(N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cc(F)cc3[nH]ccc23)CC1)C(N)=O
Show InChI InChI=1S/C27H32FN7O2S/c1-27(2,26(29)36)35-7-5-33(6-8-35)16-18-15-22-23(38-18)25(34-9-11-37-12-10-34)32-24(31-22)20-13-17(28)14-21-19(20)3-4-30-21/h3-4,13-15,30H,5-12,16H2,1-2H3,(H2,29,36)
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n/an/a 0.480n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to PI3Kdelta after 30 mins by competitive fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (human))
BDBM172588
PNG
(US9090628, 248 | US9090628, 309 | US9090628, 310)
Show SMILES CC(C)n1nc(C)nc1-c1cn2CCOc3cc(ccc3-c2n1)-c1cnn(C)c1C1CCCN(C1)C(C)(C)CO
Show InChI InChI=1/C30H40N8O2/c1-19(2)38-29(32-20(3)34-38)25-17-36-12-13-40-26-14-21(9-10-23(26)28(36)33-25)24-15-31-35(6)27(24)22-8-7-11-37(16-22)30(4,5)18-39/h9-10,14-15,17,19,22,39H,7-8,11-13,16,18H2,1-6H3
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n/an/a 0.485n/an/an/an/an/an/a



GENENTECH, INC.

US Patent


Assay Description
PI3K enzymatic activity was assayed by measuring the amount of product phosphatidylinositol 3,4,5-phosphate (PIP3) formed from substrate 4,5 phosphat...


US Patent US9090628 (2015)

More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (human))
BDBM172619
PNG
(US9090628, 279 | US9090628, 291 | US9090628, 292)
Show SMILES CC(C)N1CCCC(C1)c1c(cnn1C)-c1ccc2-c3nc(cn3CCOc2c1)-c1nc(C)nn1C(C)C
Show InChI InChI=1/C29H38N8O/c1-18(2)35-11-7-8-22(16-35)27-24(15-30-34(27)6)21-9-10-23-26(14-21)38-13-12-36-17-25(32-28(23)36)29-31-20(5)33-37(29)19(3)4/h9-10,14-15,17-19,22H,7-8,11-13,16H2,1-6H3
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n/an/a 0.494n/an/an/an/an/an/a



GENENTECH, INC.

US Patent


Assay Description
PI3K enzymatic activity was assayed by measuring the amount of product phosphatidylinositol 3,4,5-phosphate (PIP3) formed from substrate 4,5 phosphat...


US Patent US9090628 (2015)

More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (human))
BDBM50403099
PNG
(CHEMBL2216892)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(NCCS(C)(=O)=O)c1-c1ccccc1
Show InChI InChI=1S/C25H24FN7O2S/c1-15(32-25-19(13-27)24(28)30-14-31-25)22-21(16-6-4-3-5-7-16)23(29-10-11-36(2,34)35)18-12-17(26)8-9-20(18)33-22/h3-9,12,14-15H,10-11H2,1-2H3,(H,29,33)(H3,28,30,31,32)/t15-/m0/s1
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n/an/a 0.5n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) assessed as inhibition of AKT phosphorylation by cell-based HTRF assay


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (human))
BDBM198050
PNG
(BDBM198051 | US9221795, 46)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cncc(F)c1C
Show InChI InChI=1/C21H17ClFN9O/c1-9-13(23)7-27-8-15(9)32-19(29-14-5-3-4-12(22)16(14)20(32)33)10(2)28-18-11(6-24)17(25)30-21(26)31-18/h3-5,7-8,10H,1-2H3,(H5,25,26,28,30,31)/t10-/s2
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n/an/a 0.5n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Class I PI3K isoforms were expressed and purified as heterodimeric recombinant proteins. All assay reagents and buffers for the TR-FRET assay were pu...


US Patent US9221795 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
PI3-kinase class I


(Homo sapiens (human))
BDBM198088
PNG
(US9221795, 84)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(Cl)ccc(Cl)c2c(=O)n1-c1ccc(N)nc1
Show InChI InChI=1/C20H16Cl2N10O/c1-8(28-17-10(6-23)16(25)30-20(26)31-17)18-29-15-12(22)4-3-11(21)14(15)19(33)32(18)9-2-5-13(24)27-7-9/h2-5,7-8H,1H3,(H2,24,27)(H5,25,26,28,30,31)/t8-/s2
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n/an/a 0.5n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Class I PI3K isoforms were expressed and purified as heterodimeric recombinant proteins. All assay reagents and buffers for the TR-FRET assay were pu...


US Patent US9221795 (2015)

More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (human))
BDBM50403069
PNG
(CHEMBL2216889)
Show SMILES C[C@H](Nc1ncnc2nc[nH]c12)c1cc2cccc(Cl)c2nc1-c1cscn1
Show InChI InChI=1S/C19H14ClN7S/c1-10(26-19-17-18(22-7-21-17)23-8-24-19)12-5-11-3-2-4-13(20)15(11)27-16(12)14-6-28-9-25-14/h2-10H,1H3,(H2,21,22,23,24,26)/t10-/m0/s1
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n/an/a 0.5n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in B-cells by proliferation assay


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (human))
BDBM50323732
PNG
(3-(2-amino-1,3-benzothiazol-6-yl)-1-{[2-(4-methylp...)
Show SMILES CN1CCN(CC1)c1nc2ccccc2cc1Cn1nc(-c2ccc3nc(N)sc3c2)c2c(N)ncnc12
Show InChI InChI=1S/C27H26N10S/c1-35-8-10-36(11-9-35)25-18(12-16-4-2-3-5-19(16)32-25)14-37-26-22(24(28)30-15-31-26)23(34-37)17-6-7-20-21(13-17)38-27(29)33-20/h2-7,12-13,15H,8-11,14H2,1H3,(H2,29,33)(H2,28,30,31)
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n/an/a 0.5n/an/an/an/an/an/a



Medical Research Council-Laboratory of Molecular Biology

Curated by ChEMBL


Assay Description
Inhibition of p110delta


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
PI3-kinase class I


(Homo sapiens (human))
BDBM50323732
PNG
(3-(2-amino-1,3-benzothiazol-6-yl)-1-{[2-(4-methylp...)
Show SMILES CN1CCN(CC1)c1nc2ccccc2cc1Cn1nc(-c2ccc3nc(N)sc3c2)c2c(N)ncnc12
Show InChI InChI=1S/C27H26N10S/c1-35-8-10-36(11-9-35)25-18(12-16-4-2-3-5-19(16)32-25)14-37-26-22(24(28)30-15-31-26)23(34-37)17-6-7-20-21(13-17)38-27(29)33-20/h2-7,12-13,15H,8-11,14H2,1H3,(H2,29,33)(H2,28,30,31)
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n/an/a 0.5n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
PI3-kinase class I


(Homo sapiens (human))
BDBM198097
PNG
(BDBM198098 | US9221795, 93)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cnc(N)cc1C
Show InChI InChI=1/C21H19ClN10O/c1-9-6-15(24)27-8-14(9)32-19(29-13-5-3-4-12(22)16(13)20(32)33)10(2)28-18-11(7-23)17(25)30-21(26)31-18/h3-6,8,10H,1-2H3,(H2,24,27)(H5,25,26,28,30,31)/t10-/s2
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n/an/a 0.5n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Class I PI3K isoforms were expressed and purified as heterodimeric recombinant proteins. All assay reagents and buffers for the TR-FRET assay were pu...


US Patent US9221795 (2015)

More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (human))
BDBM172605
PNG
(US9090628, 265)
Show SMILES CC(C)N1CCC(CC1)[C@@H]1CCCN1c1ccc2-c3nc(cn3CCOc2c1)-c1nc(C)nn1C(C)C
Show InChI InChI=1/C29H41N7O/c1-19(2)33-13-10-22(11-14-33)26-7-6-12-35(26)23-8-9-24-27(17-23)37-16-15-34-18-25(31-28(24)34)29-30-21(5)32-36(29)20(3)4/h8-9,17-20,22,26H,6-7,10-16H2,1-5H3/t26-/s2
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n/an/a 0.510n/an/an/an/an/an/a



GENENTECH, INC.

US Patent


Assay Description
PI3K enzymatic activity was assayed by measuring the amount of product phosphatidylinositol 3,4,5-phosphate (PIP3) formed from substrate 4,5 phosphat...


US Patent US9090628 (2015)

More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (human))
BDBM172644
PNG
(US9090628, 304)
Show SMILES CCN1CCC(CC1)C1CCCN1c1ccc2-c3nc(cn3CCOc2c1)-c1nc(C)nn1C(C)C
Show InChI InChI=1/C28H39N7O/c1-5-32-13-10-21(11-14-32)25-7-6-12-34(25)22-8-9-23-26(17-22)36-16-15-33-18-24(30-27(23)33)28-29-20(4)31-35(28)19(2)3/h8-9,17-19,21,25H,5-7,10-16H2,1-4H3
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n/an/a 0.520n/an/an/an/an/an/a



GENENTECH, INC.

US Patent


Assay Description
PI3K enzymatic activity was assayed by measuring the amount of product phosphatidylinositol 3,4,5-phosphate (PIP3) formed from substrate 4,5 phosphat...


US Patent US9090628 (2015)

More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (human))
BDBM172626
PNG
(US9090628, 286 | US9090628, 307 | US9090628, 308)
Show SMILES CC(C)n1nc(C)nc1-c1cn2CCOc3cc(ccc3-c2n1)N1CCC1C1CCN(C)CC1
Show InChI InChI=1/C26H35N7O/c1-17(2)33-26(27-18(3)29-33)22-16-31-13-14-34-24-15-20(5-6-21(24)25(31)28-22)32-12-9-23(32)19-7-10-30(4)11-8-19/h5-6,15-17,19,23H,7-14H2,1-4H3
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n/an/a 0.529n/an/an/an/an/an/a



GENENTECH, INC.

US Patent


Assay Description
PI3K enzymatic activity was assayed by measuring the amount of product phosphatidylinositol 3,4,5-phosphate (PIP3) formed from substrate 4,5 phosphat...


US Patent US9090628 (2015)

More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (human))
BDBM172464
PNG
(US9090628, 106)
Show SMILES CC(C)n1ncnc1-c1cn2CCOc3cc(ncc3-c2n1)N1CCCC1C1CCN(C)CC1
Show InChI InChI=1/C25H34N8O/c1-17(2)33-25(27-16-28-33)20-15-31-11-12-34-22-13-23(26-14-19(22)24(31)29-20)32-8-4-5-21(32)18-6-9-30(3)10-7-18/h13-18,21H,4-12H2,1-3H3
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n/an/a 0.541n/an/an/an/an/an/a



GENENTECH, INC.

US Patent


Assay Description
PI3K enzymatic activity was assayed by measuring the amount of product phosphatidylinositol 3,4,5-phosphate (PIP3) formed from substrate 4,5 phosphat...


US Patent US9090628 (2015)

More data for this
Ligand-Target Pair
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