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Compile Data Set for Download or QSAR

Found 1916 hits Enz. Inhib. hit(s) with Target = 'Phosphoinositide 3-Kinase (PI3K), beta'   
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))
BDBM50420316
PNG
(CHEMBL2089119)
Show SMILES Cc1c(Cl)cccc1Cn1c(SCC(O)=O)nc(=O)c2sc(nc12)N1CCOCC1
Show InChI InChI=1S/C19H19ClN4O4S2/c1-11-12(3-2-4-13(11)20)9-24-16-15(17(27)22-19(24)29-10-14(25)26)30-18(21-16)23-5-7-28-8-6-23/h2-4H,5-10H2,1H3,(H,25,26)
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n/an/a 0.0500n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3K beta by continuous TR-FRET assay


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


(Homo sapiens (human))
BDBM50420311
PNG
(CHEMBL2089114)
Show SMILES Cc1c(Cl)cccc1Cn1c(CO)nc(=O)c2sc(nc12)N1CCOCC1
Show InChI InChI=1S/C18H19ClN4O3S/c1-11-12(3-2-4-13(11)19)9-23-14(10-24)20-17(25)15-16(23)21-18(27-15)22-5-7-26-8-6-22/h2-4,24H,5-10H2,1H3
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n/an/a 0.100n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3K beta by continuous TR-FRET assay


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


(Homo sapiens (human))
BDBM50420321
PNG
(CHEMBL2089112)
Show SMILES Cc1c(Cn2c(CO)nc(=O)c3sc(nc23)N2CCOCC2)cccc1C(F)(F)F
Show InChI InChI=1S/C19H19F3N4O3S/c1-11-12(3-2-4-13(11)19(20,21)22)9-26-14(10-27)23-17(28)15-16(26)24-18(30-15)25-5-7-29-8-6-25/h2-4,27H,5-10H2,1H3
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TBA

Assay Description
Inhibition of PI3K beta by continuous TR-FRET assay


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


(Homo sapiens (human))
BDBM50420309
PNG
(CHEMBL2089120)
Show SMILES Cc1c(Cl)cccc1Cn1c(N)nc(=O)c2sc(nc12)N1CCOCC1
Show InChI InChI=1S/C17H18ClN5O2S/c1-10-11(3-2-4-12(10)18)9-23-14-13(15(24)21-16(23)19)26-17(20-14)22-5-7-25-8-6-22/h2-4H,5-9H2,1H3,(H2,19,21,24)
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TBA

Assay Description
Inhibition of PI3K beta by continuous TR-FRET assay


Citation and Details
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 0.200n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta


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


(Homo sapiens (human))
BDBM50381158
PNG
(CHEMBL2018222)
Show SMILES CC1CN(CCO1)c1cc(=O)n2nc(C)n(Cc3cccc(c3C)C(F)(F)F)c2n1
Show InChI InChI=1S/C20H22F3N5O2/c1-12-10-26(7-8-30-12)17-9-18(29)28-19(24-17)27(14(3)25-28)11-15-5-4-6-16(13(15)2)20(21,22)23/h4-6,9,12H,7-8,10-11H2,1-3H3
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n/an/a 0.300n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta by continuous read time resolved fluorescence resonance energy transfer displacement assay


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


(Homo sapiens (human))
BDBM50420310
PNG
(CHEMBL2089116)
Show SMILES COc1nc(=O)c2sc(nc2n1Cc1cccc(Cl)c1C)N1CCOCC1
Show InChI InChI=1S/C18H19ClN4O3S/c1-11-12(4-3-5-13(11)19)10-23-15-14(16(24)21-17(23)25-2)27-18(20-15)22-6-8-26-9-7-22/h3-5H,6-10H2,1-2H3
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n/an/a 0.300n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3K beta by continuous TR-FRET assay


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


(Homo sapiens (human))
BDBM50420317
PNG
(CHEMBL2089118)
Show SMILES CSc1nc(=O)c2sc(nc2n1Cc1cccc(Cl)c1C)N1CCOCC1
Show InChI InChI=1S/C18H19ClN4O2S2/c1-11-12(4-3-5-13(11)19)10-23-15-14(16(24)21-18(23)26-2)27-17(20-15)22-6-8-25-9-7-22/h3-5H,6-10H2,1-2H3
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n/an/a 0.300n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3K beta by continuous TR-FRET assay


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


(Homo sapiens (human))
BDBM50070262
PNG
(CHEMBL3408270)
Show SMILES C[C@@H](Nc1cc(F)cc(F)c1)c1cc(cc2c1oc(cc2=O)N1CCO[C@@H](C)C1)C(=O)N(C)C
Show InChI InChI=1/C25H27F2N3O4/c1-14-13-30(5-6-33-14)23-12-22(31)21-8-16(25(32)29(3)4)7-20(24(21)34-23)15(2)28-19-10-17(26)9-18(27)11-19/h7-12,14-15,28H,5-6,13H2,1-4H3/t14-,15+/s2
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n/an/a 0.400n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta in PTEN-null human MDA-MB-468 cells assessed as inhibition of Akt phosphorylation after 2 hrs


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


(Homo sapiens (human))
BDBM50381156
PNG
(CHEMBL2018220)
Show SMILES CSc1nn2c(nc(cc2=O)N2CCOCC2)n1Cc1cccc(c1C)C(F)(F)F
Show InChI InChI=1S/C19H20F3N5O2S/c1-12-13(4-3-5-14(12)19(20,21)22)11-26-17-23-15(25-6-8-29-9-7-25)10-16(28)27(17)24-18(26)30-2/h3-5,10H,6-9,11H2,1-2H3
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n/an/a 0.400n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta by continuous read time resolved fluorescence resonance energy transfer displacement assay


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


(Homo sapiens (human))
BDBM50381158
PNG
(CHEMBL2018222)
Show SMILES CC1CN(CCO1)c1cc(=O)n2nc(C)n(Cc3cccc(c3C)C(F)(F)F)c2n1
Show InChI InChI=1S/C20H22F3N5O2/c1-12-10-26(7-8-30-12)17-9-18(29)28-19(24-17)27(14(3)25-28)11-15-5-4-6-16(13(15)2)20(21,22)23/h4-6,9,12H,7-8,10-11H2,1-3H3
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n/an/a 0.5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PI3K beta-mediated AKT phosphorylation at serine 473 in PTEN deficient human MDA-MB-468 cells after 30 mins


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 0.5n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


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


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


(Homo sapiens (human))
BDBM50420313
PNG
(CHEMBL2089108)
Show SMILES CCc1nc(=O)c2sc(nc2n1Cc1cccc(c1C)C(F)(F)F)N1CCOCC1
Show InChI InChI=1S/C20H21F3N4O2S/c1-3-15-24-18(28)16-17(25-19(30-16)26-7-9-29-10-8-26)27(15)11-13-5-4-6-14(12(13)2)20(21,22)23/h4-6H,3,7-11H2,1-2H3
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TBA

Assay Description
Inhibition of PI3K beta by continuous TR-FRET assay


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


(Homo sapiens (human))
BDBM50420314
PNG
(CHEMBL2089107)
Show SMILES Cc1nc(=O)c2sc(nc2n1Cc1cccc(Cl)c1C)N1CCOCC1
Show InChI InChI=1S/C18H19ClN4O2S/c1-11-13(4-3-5-14(11)19)10-23-12(2)20-17(24)15-16(23)21-18(26-15)22-6-8-25-9-7-22/h3-5H,6-10H2,1-2H3
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TBA

Assay Description
Inhibition of PI3K beta by continuous TR-FRET assay


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


(Homo sapiens (human))
BDBM50420312
PNG
(CHEMBL2089109)
Show SMILES Cc1c(Cn2c(nc(=O)c3sc(nc23)N2CCOCC2)C2CC2)cccc1C(F)(F)F
Show InChI InChI=1S/C21H21F3N4O2S/c1-12-14(3-2-4-15(12)21(22,23)24)11-28-17(13-5-6-13)25-19(29)16-18(28)26-20(31-16)27-7-9-30-10-8-27/h2-4,13H,5-11H2,1H3
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TBA

Assay Description
Inhibition of PI3K beta by continuous TR-FRET assay


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


(Homo sapiens (human))
BDBM50420315
PNG
(CHEMBL2089106)
Show SMILES Cc1nc(=O)c2sc(nc2n1Cc1cccc(c1C)C(F)(F)F)N1CCOCC1
Show InChI InChI=1S/C19H19F3N4O2S/c1-11-13(4-3-5-14(11)19(20,21)22)10-26-12(2)23-17(27)15-16(26)24-18(29-15)25-6-8-28-9-7-25/h3-5H,6-10H2,1-2H3
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n/an/a 0.600n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3K beta by continuous TR-FRET assay


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


(Homo sapiens (human))
BDBM50381161
PNG
(CHEMBL2018219)
Show SMILES Cc1nn2c(nc(cc2=O)N2CCOCC2)n1Cc1cccc(c1C)C(F)(F)F
Show InChI InChI=1S/C19H20F3N5O2/c1-12-14(4-3-5-15(12)19(20,21)22)11-26-13(2)24-27-17(28)10-16(23-18(26)27)25-6-8-29-9-7-25/h3-5,10H,6-9,11H2,1-2H3
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n/an/a 0.600n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta by continuous read time resolved fluorescence resonance energy transfer displacement assay


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


(Homo sapiens (human))
BDBM50355691
PNG
(CHEMBL1910998)
Show SMILES Oc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C19H21F2N7O3/c20-15(21)16-22-14-12(2-1-3-13(14)29)28(16)19-24-17(26-4-8-30-9-5-26)23-18(25-19)27-6-10-31-11-7-27/h1-3,15,29H,4-11H2
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n/an/a 0.680n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3K p110beta expressed in Sf21 insect cells using phosphatidylinositol as substrate after 1 hr by phosphoimaging


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


(Homo sapiens (human))
BDBM198101
PNG
(US9221795, 97)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1ccc(N)nc1
Show InChI InChI=1/C20H17ClN10O/c1-9(27-17-11(7-22)16(24)29-20(25)30-17)18-28-13-4-2-3-12(21)15(13)19(32)31(18)10-5-6-14(23)26-8-10/h2-6,8-9H,1H3,(H2,23,26)(H5,24,25,27,29,30)/t9-/s2
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US Patent
n/an/a 0.700n/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))
BDBM50320101
PNG
(CHEMBL1082621 | N-(2-(dimethylamino)ethyl)-4-(3-(2...)
Show SMILES COc1cc(F)c2[nH]c(c(\C=C3\Oc4ccc(NC(=O)Nc5ccc(cc5)C(=O)N(C)CCN(C)C)cc4C3=O)c2c1)-c1c(C)nn(C)c1C
Show InChI InChI=1S/C37H38FN7O5/c1-20-32(21(2)45(6)42-20)34-27(26-17-25(49-7)18-29(38)33(26)41-34)19-31-35(46)28-16-24(12-13-30(28)50-31)40-37(48)39-23-10-8-22(9-11-23)36(47)44(5)15-14-43(3)4/h8-13,16-19,41H,14-15H2,1-7H3,(H2,39,40,48)/b31-19+
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n/an/a 0.700n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta


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


(Homo sapiens (human))
BDBM198091
PNG
(US9221795, 87)
Show SMILES CC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1ccc(N)nc1
Show InChI InChI=1/C21H19ClN10O/c1-2-13(28-18-11(8-23)17(25)30-21(26)31-18)19-29-14-5-3-4-12(22)16(14)20(33)32(19)10-6-7-15(24)27-9-10/h3-7,9,13H,2H2,1H3,(H2,24,27)(H5,25,26,28,30,31)/t13-/s2
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n/an/a 0.800n/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))
BDBM50355687
PNG
(CHEMBL1911122)
Show SMILES Oc1cccc2n(c(nc12)C(F)F)-c1nc(cc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C20H22F2N6O3/c21-18(22)19-25-17-13(2-1-3-14(17)29)28(19)20-23-15(26-4-8-30-9-5-26)12-16(24-20)27-6-10-31-11-7-27/h1-3,12,18,29H,4-11H2
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n/an/a 0.810n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3K p110beta expressed in Sf21 insect cells using phosphatidylinositol as substrate after 1 hr by phosphoimaging


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


(Homo sapiens (human))
BDBM50059637
PNG
(GSK-2636771 | GSK2636771)
Show SMILES Cc1nc2c(cc(cc2n1Cc1cccc(c1C)C(F)(F)F)N1CCOCC1)C(O)=O
Show InChI InChI=1S/C22H22F3N3O3/c1-13-15(4-3-5-18(13)22(23,24)25)12-28-14(2)26-20-17(21(29)30)10-16(11-19(20)28)27-6-8-31-9-7-27/h3-5,10-11H,6-9,12H2,1-2H3,(H,29,30)
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n/an/a 0.890n/an/an/an/an/an/a



University Hospital Hradec Kralove

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110beta (unknown origin)


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


(Homo sapiens (human))
BDBM50433521
PNG
(CHEMBL2381265)
Show SMILES CC(C)n1ncnc1-c1nc-2c(CCOc3cc(ccc-23)C2CNC2)s1
Show InChI InChI=1S/C19H21N5OS/c1-11(2)24-18(21-10-22-24)19-23-17-14-4-3-12(13-8-20-9-13)7-15(14)25-6-5-16(17)26-19/h3-4,7,10-11,13,20H,5-6,8-9H2,1-2H3
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n/an/a 0.900n/an/an/an/an/an/a



Genentech, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-fused human recombinant PI3Kbeta expressed in baculovirus infected SF9 cells after 1 hr by scintillation proximity assay in presenc...


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


(Homo sapiens (human))
BDBM50355683
PNG
(CHEMBL1911118)
Show SMILES CNc1cc(OC)c2nc(C(F)F)n(-c3nc(nc(n3)N3CCOCC3)N3CCOCC3)c2c1
Show InChI InChI=1S/C21H26F2N8O3/c1-24-13-11-14-16(15(12-13)32-2)25-18(17(22)23)31(14)21-27-19(29-3-7-33-8-4-29)26-20(28-21)30-5-9-34-10-6-30/h11-12,17,24H,3-10H2,1-2H3
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n/an/a 0.910n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3K p110beta expressed in Sf21 insect cells using phosphatidylinositol as substrate after 1 hr by phosphoimaging


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


(Homo sapiens (human))
BDBM208929
PNG
(US9266878, 155a)
Show SMILES C[C@H](Nc1ncnc(N)c1C#Cc1cccc(CO)n1)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1
Show InChI InChI=1/C28H22ClN7O2/c1-17(33-26-21(25(30)31-16-32-26)14-13-18-7-5-8-19(15-37)34-18)27-35-23-12-6-11-22(29)24(23)28(38)36(27)20-9-3-2-4-10-20/h2-12,16-17,37H,15H2,1H3,(H3,30,31,32,33)/t17-/s2
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US Patent
n/an/a>1n/an/an/an/an/an/a



Gilead Calistoga LLC

US Patent


Assay Description
PI3K isoforms were assayed under initial rate conditions in the presence of 25 mM Hepes (pH 7.4), and 2xKm ATP (100-300 uM), 10 uM PIP2, 5% glycerol,...


US Patent US9266878 (2016)

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


(Homo sapiens (human))
BDBM50365868
PNG
(CHEMBL1957857)
Show SMILES Cc1cn2c(nc(cc2=O)N2CCOCC2)n1Cc1cccc(c1C)C(F)(F)F
Show InChI InChI=1S/C20H21F3N4O2/c1-13-11-27-18(28)10-17(25-6-8-29-9-7-25)24-19(27)26(13)12-15-4-3-5-16(14(15)2)20(21,22)23/h3-5,10-11H,6-9,12H2,1-2H3
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n/an/a 1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta by time-resolved FRET displacement assay


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


(Homo sapiens (human))
BDBM50447089
PNG
(CHEMBL3112849)
Show SMILES Clc1cccc2N(CCc12)C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1
Show InChI InChI=1S/C18H19ClN4O3/c19-13-2-1-3-14-12(13)4-5-23(14)18(25)10-15-20-16(11-17(24)21-15)22-6-8-26-9-7-22/h1-3,11H,4-10H2,(H,20,21,24)
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n/an/a 1n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of N-terminal ploy-His-tagged human PI3Kbeta expressed in baculovirus-infected sf21 cells using PI(4,5)P2 as substrate after 15 mins by HT...


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


(Homo sapiens (human))
BDBM50381157
PNG
(CHEMBL2018360)
Show SMILES CSc1nn2c(nc(cc2=O)N2CCOC(C)C2)n1Cc1cccc(c1C)C(F)(F)F
Show InChI InChI=1S/C20H22F3N5O2S/c1-12-10-26(7-8-30-12)16-9-17(29)28-18(24-16)27(19(25-28)31-3)11-14-5-4-6-15(13(14)2)20(21,22)23/h4-6,9,12H,7-8,10-11H2,1-3H3
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n/an/a 1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta by continuous read time resolved fluorescence resonance energy transfer displacement assay


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


(Homo sapiens (human))
BDBM119230
PNG
(US8673906, 1.01)
Show SMILES CC(Nc1cccc(F)c1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)NCCN(C)C
Show InChI InChI=1S/C26H31FN4O4/c1-17(29-20-6-4-5-19(27)15-20)21-13-18(26(33)28-7-8-30(2)3)14-22-23(32)16-24(35-25(21)22)31-9-11-34-12-10-31/h4-6,13-17,29H,7-12H2,1-3H3,(H,28,33)
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US Patent
n/an/a 1n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The inhibition of PI3Kβ, PI3Kα, PI3Kγ and PI3Kδ was evaluated in a Kinase Glo based enzyme activity assay using human recombinant...


US Patent US8673906 (2014)

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


(Homo sapiens (human))
BDBM50447088
PNG
(CHEMBL3112850)
Show SMILES Brc1cccc2N(CCc12)C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1
Show InChI InChI=1S/C18H19BrN4O3/c19-13-2-1-3-14-12(13)4-5-23(14)18(25)10-15-20-16(11-17(24)21-15)22-6-8-26-9-7-22/h1-3,11H,4-10H2,(H,20,21,24)
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n/an/a 1n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of N-terminal ploy-His-tagged human PI3Kbeta expressed in baculovirus-infected sf21 cells using PI(4,5)P2 as substrate after 15 mins by HT...


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


(Homo sapiens (human))
BDBM50070324
PNG
(CHEMBL3408252)
Show SMILES C[C@@H](Nc1cc(F)cc(Cl)c1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N(C)C
Show InChI InChI=1/C24H25ClFN3O4/c1-14(27-18-11-16(25)10-17(26)12-18)19-8-15(24(31)28(2)3)9-20-21(30)13-22(33-23(19)20)29-4-6-32-7-5-29/h8-14,27H,4-7H2,1-3H3/t14-/s2
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n/an/a 1n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta in PTEN-null human MDA-MB-468 cells assessed as inhibition of Akt phosphorylation after 2 hrs


Citation and Details
More data for this
Ligand-Target Pair
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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US Patent
n/an/a 1n/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))
BDBM198095
PNG
(BDBM198096 | US9221795, 91)
Show SMILES CC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cnc(N)cc1C
Show InChI InChI=1/C22H21ClN10O/c1-3-13(29-19-11(8-24)18(26)31-22(27)32-19)20-30-14-6-4-5-12(23)17(14)21(34)33(20)15-9-28-16(25)7-10(15)2/h4-7,9,13H,3H2,1-2H3,(H2,25,28)(H5,26,27,29,31,32)/t13-/s2
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US Patent
n/an/a 1n/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))
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 1n/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))
BDBM50365882
PNG
(CHEMBL1957870)
Show SMILES C[C@@H]1CN(CCO1)c1cc(=O)n2ccn(Cc3cccc(c3C)C(F)(F)F)c2n1
Show InChI InChI=1S/C20H21F3N4O2/c1-13-11-25(8-9-29-13)17-10-18(28)27-7-6-26(19(27)24-17)12-15-4-3-5-16(14(15)2)20(21,22)23/h3-7,10,13H,8-9,11-12H2,1-2H3/t13-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta by time-resolved FRET displacement assay


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


(Homo sapiens (human))
BDBM50145416
PNG
(GSK2126458 | OMIPALISIB | Omipalisib)
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n/an/a 1.20n/an/an/an/an/an/a


TBA



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


(Homo sapiens (human))
BDBM50381159
PNG
(CHEMBL2018217)
Show SMILES CC1CN(CCO1)c1cc(=O)n2nc(C)n(Cc3cccc(Cl)c3Cl)c2n1
Show InChI InChI=1S/C18H19Cl2N5O2/c1-11-9-23(6-7-27-11)15-8-16(26)25-18(21-15)24(12(2)22-25)10-13-4-3-5-14(19)17(13)20/h3-5,8,11H,6-7,9-10H2,1-2H3
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n/an/a 1.30n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta by continuous read time resolved fluorescence resonance energy transfer displacement assay


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


(Homo sapiens (human))
BDBM50381162
PNG
(CHEMBL2018221)
Show SMILES Cc1c(Cn2c(nn3c2nc(cc3=O)N2CCOCC2)C2CC2)cccc1C(F)(F)F
Show InChI InChI=1S/C21H22F3N5O2/c1-13-15(3-2-4-16(13)21(22,23)24)12-28-19(14-5-6-14)26-29-18(30)11-17(25-20(28)29)27-7-9-31-10-8-27/h2-4,11,14H,5-10,12H2,1H3
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n/an/a 1.30n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta by continuous read time resolved fluorescence resonance energy transfer displacement assay


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


(Homo sapiens (human))
BDBM50381158
PNG
(CHEMBL2018222)
Show SMILES CC1CN(CCO1)c1cc(=O)n2nc(C)n(Cc3cccc(c3C)C(F)(F)F)c2n1
Show InChI InChI=1S/C20H22F3N5O2/c1-12-10-26(7-8-30-12)17-9-18(29)28-19(24-17)27(14(3)25-28)11-15-5-4-6-16(13(15)2)20(21,22)23/h4-6,9,12H,7-8,10-11H2,1-3H3
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n/an/a 1.30n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta by continuous read time resolved fluorescence resonance energy transfer displacement assay


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


(Homo sapiens (human))
BDBM50365868
PNG
(CHEMBL1957857)
Show SMILES Cc1cn2c(nc(cc2=O)N2CCOCC2)n1Cc1cccc(c1C)C(F)(F)F
Show InChI InChI=1S/C20H21F3N4O2/c1-13-11-27-18(28)10-17(25-6-8-29-9-7-25)24-19(27)26(13)12-15-4-3-5-16(14(15)2)20(21,22)23/h3-5,10-11H,6-9,12H2,1-2H3
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n/an/a 1.30n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta by continuous read time resolved fluorescence resonance energy transfer displacement assay


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


(Homo sapiens (human))
BDBM50381164
PNG
(CHEMBL2018214)
Show SMILES Cc1nn2c(nc(cc2=O)N2CCOCC2)n1Cc1cccc(Cl)c1Cl
Show InChI InChI=1S/C17H17Cl2N5O2/c1-11-21-24-15(25)9-14(22-5-7-26-8-6-22)20-17(24)23(11)10-12-3-2-4-13(18)16(12)19/h2-4,9H,5-8,10H2,1H3
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n/an/a 1.30n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta by continuous read time resolved fluorescence resonance energy transfer displacement assay


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


(Homo sapiens (human))
BDBM50355682
PNG
(CHEMBL1911117)
Show SMILES COc1cc(N)cc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C20H24F2N8O3/c1-31-14-11-12(23)10-13-15(14)24-17(16(21)22)30(13)20-26-18(28-2-6-32-7-3-28)25-19(27-20)29-4-8-33-9-5-29/h10-11,16H,2-9,23H2,1H3
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n/an/a 1.40n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3K p110beta expressed in Sf21 insect cells using phosphatidylinositol as substrate after 1 hr by phosphoimaging


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


(Homo sapiens (human))
BDBM50381161
PNG
(CHEMBL2018219)
Show SMILES Cc1nn2c(nc(cc2=O)N2CCOCC2)n1Cc1cccc(c1C)C(F)(F)F
Show InChI InChI=1S/C19H20F3N5O2/c1-12-14(4-3-5-15(12)19(20,21)22)11-26-13(2)24-27-17(28)10-16(23-18(26)27)25-6-8-29-9-7-25/h3-5,10H,6-9,11H2,1-2H3
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n/an/a 1.5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PI3K beta-mediated AKT phosphorylation at serine 473 in PTEN deficient human MDA-MB-468 cells after 30 mins


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


(Homo sapiens (human))
BDBM139736
PNG
(US8895549, 11)
Show SMILES COc1c(OC[C@H](O)CN(C)C)ccc2C3=NCCN3C(NC(=O)c3cccnc3)=Nc12
Show InChI InChI=1/C22H26N6O4/c1-27(2)12-15(29)13-32-17-7-6-16-18(19(17)31-3)25-22(28-10-9-24-20(16)28)26-21(30)14-5-4-8-23-11-14/h4-8,11,15,29H,9-10,12-13H2,1-3H3,(H,25,26,30)/t15-/s2
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n/an/a 1.60n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
As reagents for the kinase reaction itself and the quantification of the reaction product, the PI3-Kinase HTRF Assay kit from Millipore (#33-017) was...


US Patent US8895549 (2014)

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


(Homo sapiens (human))
BDBM50381165
PNG
(CHEMBL2018215)
Show SMILES CSc1nn2c(nc(cc2=O)N2CCOCC2)n1Cc1cccc(Cl)c1Cl
Show InChI InChI=1S/C17H17Cl2N5O2S/c1-27-17-21-24-14(25)9-13(22-5-7-26-8-6-22)20-16(24)23(17)10-11-3-2-4-12(18)15(11)19/h2-4,9H,5-8,10H2,1H3
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n/an/a 1.60n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta by continuous read time resolved fluorescence resonance energy transfer displacement assay


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


(Homo sapiens (human))
BDBM50440794
PNG
(CHEMBL2431396)
Show SMILES Cc1nc2c(cc(nc2n1Cc1cccc(Cl)c1C)N1CCOCC1)C(O)=O
Show InChI InChI=1S/C20H21ClN4O3/c1-12-14(4-3-5-16(12)21)11-25-13(2)22-18-15(20(26)27)10-17(23-19(18)25)24-6-8-28-9-7-24/h3-5,10H,6-9,11H2,1-2H3,(H,26,27)
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n/an/a 1.60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kbeta (unknown origin) assessed as PIP2 conversion to PIP3 after 1 hr by HTRF assay


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


(Homo sapiens (human))
BDBM50433530
PNG
(CHEMBL2381382)
Show SMILES CC(C)n1nc(N)nc1-c1nc-2c(CCOc3cc(ccc-23)-c2cnn(CCO)c2)s1
Show InChI InChI=1S/C21H23N7O2S/c1-12(2)28-19(25-21(22)26-28)20-24-18-15-4-3-13(14-10-23-27(11-14)6-7-29)9-16(15)30-8-5-17(18)31-20/h3-4,9-12,29H,5-8H2,1-2H3,(H2,22,26)
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n/an/a 1.80n/an/an/an/an/an/a



Genentech, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-fused human recombinant PI3Kbeta expressed in baculovirus infected SF9 cells after 1 hr by scintillation proximity assay in presenc...


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


(Homo sapiens (human))
BDBM50433534
PNG
(CHEMBL2381375)
Show SMILES CC(C)n1ncnc1-c1nc-2c(CCOc3cc(ccc-23)-c2cnn(CS(C)(=O)=O)c2)s1
Show InChI InChI=1S/C21H22N6O3S2/c1-13(2)27-20(22-11-24-27)21-25-19-16-5-4-14(8-17(16)30-7-6-18(19)31-21)15-9-23-26(10-15)12-32(3,28)29/h4-5,8-11,13H,6-7,12H2,1-3H3
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n/an/a 1.80n/an/an/an/an/an/a



Genentech, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-fused human recombinant PI3Kbeta expressed in baculovirus infected SF9 cells after 1 hr by scintillation proximity assay in presenc...


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


(Homo sapiens (human))
BDBM139746
PNG
(US8895549, 24)
Show SMILES COc1c(OC[C@H](O)CN2CCCC2)ccc2C3=NCCN3C(NC(=O)c3cncnc3)=Nc12
Show InChI InChI=1/C23H27N7O4/c1-33-20-18(34-13-16(31)12-29-7-2-3-8-29)5-4-17-19(20)27-23(30-9-6-26-21(17)30)28-22(32)15-10-24-14-25-11-15/h4-5,10-11,14,16,31H,2-3,6-9,12-13H2,1H3,(H,27,28,32)/t16-/s2
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n/an/a 1.99n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
As reagents for the kinase reaction itself and the quantification of the reaction product, the PI3-Kinase HTRF Assay kit from Millipore (#33-017) was...


US Patent US8895549 (2014)

More data for this
Ligand-Target Pair
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