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Compile Data Set for Download or QSAR

Found 1941 hits Enz. Inhib. hit(s) with Target = 'Phosphoinositide 3-Kinase (PI3K), beta' AND taxid = 9606   
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))
BDBM50401261
PNG
(CHEMBL2206921 | US8772480, 384)
Show SMILES CN(C)S(=O)(=O)Nc1cc(Nc2ncc(Cl)cc2-c2nc(C)nc(N)n2)cnc1Cl
Show InChI InChI=1S/C16H17Cl2N9O2S/c1-8-22-15(25-16(19)23-8)11-4-9(17)6-21-14(11)24-10-5-12(13(18)20-7-10)26-30(28,29)27(2)3/h4-7,26H,1-3H3,(H,21,24)(H2,19,22,23,25)
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0.600n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal polyHis-tagged PI3K p110beta expressed in baculovirus infected Hi5 cells using Phosphatidylinositol-4,5-bisphosphate a...


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


(Homo sapiens (human))
BDBM50394838
PNG
(CHEMBL2165007 | US8772480, 141)
Show SMILES COc1ccc(Nc2ncc(Cc3ccc(cc3)S(C)(=O)=O)cc2-c2nc(C)nc(N)n2)cn1
Show InChI InChI=1S/C23H23N7O3S/c1-14-27-22(30-23(24)28-14)19-11-16(10-15-4-7-18(8-5-15)34(3,31)32)12-26-21(19)29-17-6-9-20(33-2)25-13-17/h4-9,11-13H,10H2,1-3H3,(H,26,29)(H2,24,27,28,30)
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2n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal poly-His tagged-PI3Kbeta expressed in Sf9 baculovirus system co-expressing p85alpha after 20 mins by AlphaScreen assay


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


(Homo sapiens (human))
BDBM50343200
PNG
(CHEMBL1615189 | N-(6-(6-Chloro-5-(4-fluorophenylsu...)
Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1
Show InChI InChI=1S/C20H14ClFN4O3S2/c1-11(27)24-20-25-16-7-2-12(9-18(16)30-20)13-8-17(19(21)23-10-13)26-31(28,29)15-5-3-14(22)4-6-15/h2-10,26H,1H3,(H,24,25,27)
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2n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kbeta expressed in Sf9 cells


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


(Homo sapiens (human))
BDBM50394860
PNG
(CHEMBL2165030 | US8772480, 256)
Show SMILES COc1ccc(Nc2ncc(cc2-c2nc(C)nc(N)n2)C2=CCOCC2)cn1
Show InChI InChI=1S/C20H21N7O2/c1-12-24-19(27-20(21)25-12)16-9-14(13-5-7-29-8-6-13)10-23-18(16)26-15-3-4-17(28-2)22-11-15/h3-5,9-11H,6-8H2,1-2H3,(H,23,26)(H2,21,24,25,27)
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3n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal poly-His tagged-PI3Kbeta expressed in Sf9 baculovirus system co-expressing p85alpha after 20 mins by AlphaScreen assay


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


(Homo sapiens (human))
BDBM50394891
PNG
(CHEMBL2165052 | US8772480, 23)
Show SMILES Cc1nc(N)nc(n1)-c1cccnc1Nc1cccc(O)c1
Show InChI InChI=1S/C15H14N6O/c1-9-18-14(21-15(16)19-9)12-6-3-7-17-13(12)20-10-4-2-5-11(22)8-10/h2-8,22H,1H3,(H,17,20)(H2,16,18,19,21)
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3n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal poly-His tagged-PI3Kbeta expressed in Sf9 baculovirus system co-expressing p85alpha after 20 mins by AlphaScreen assay


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


(Homo sapiens (human))
BDBM50351949
PNG
(CHEMBL1822054)
Show SMILES CC(=O)Nc1cn2nc(ccc2n1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1
Show InChI InChI=1S/C19H14ClFN6O3S/c1-11(28)23-17-10-27-18(24-17)7-6-15(25-27)12-8-16(19(20)22-9-12)26-31(29,30)14-4-2-13(21)3-5-14/h2-10,26H,1H3,(H,23,28)
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3.5n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-tagged PI3Kbeta expressed in insect Sf9 cells using PI(4,5)P2 as substrate after 20 mins by alphascreen assay in p...


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


(Homo sapiens (human))
BDBM50394892
PNG
(CHEMBL2165051)
Show SMILES Cc1ncnc(n1)-n1c(Nc2cccc(O)c2)nc2ccccc12
Show InChI InChI=1S/C17H14N6O/c1-11-18-10-19-16(20-11)23-15-8-3-2-7-14(15)22-17(23)21-12-5-4-6-13(24)9-12/h2-10,24H,1H3,(H,21,22)
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4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal poly-His tagged-PI3Kbeta expressed in Sf9 baculovirus system co-expressing p85alpha after 20 mins by AlphaScreen assay


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


(Homo sapiens (human))
BDBM50401269
PNG
(CHEMBL2206913)
Show SMILES Cc1nc(N)nc(n1)-c1cccnc1Nc1cnc(Cl)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C15H15ClN8O2S/c1-8-20-14(23-15(17)21-8)10-4-3-5-18-13(10)22-9-6-11(12(16)19-7-9)24-27(2,25)26/h3-7,24H,1-2H3,(H,18,22)(H2,17,20,21,23)
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4.40n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal polyHis-tagged PI3K p110beta expressed in baculovirus infected Hi5 cells using Phosphatidylinositol-4,5-bisphosphate a...


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


(Homo sapiens (human))
BDBM50401256
PNG
(CHEMBL2206904 | US8772480, 331)
Show SMILES COc1cnc(Nc2cnc(Cl)c(NS(=O)(=O)N(C)C)c2)c(c1)-c1nc(C)nc(N)n1
Show InChI InChI=1S/C17H20ClN9O3S/c1-9-22-16(25-17(19)23-9)12-6-11(30-4)8-21-15(12)24-10-5-13(14(18)20-7-10)26-31(28,29)27(2)3/h5-8,26H,1-4H3,(H,21,24)(H2,19,22,23,25)
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4.70n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal polyHis-tagged PI3K p110beta expressed in baculovirus infected Hi5 cells using Phosphatidylinositol-4,5-bisphosphate a...


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


(Homo sapiens (human))
BDBM50394844
PNG
(CHEMBL2165019 | US8772480, 224)
Show SMILES COc1ccc(Nc2ncc(CN3CCC(CC3)S(C)(=O)=O)cc2-c2nc(C)nc(N)n2)cn1
Show InChI InChI=1S/C22H28N8O3S/c1-14-26-21(29-22(23)27-14)18-10-15(13-30-8-6-17(7-9-30)34(3,31)32)11-25-20(18)28-16-4-5-19(33-2)24-12-16/h4-5,10-12,17H,6-9,13H2,1-3H3,(H,25,28)(H2,23,26,27,29)
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5n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal poly-His tagged-PI3Kbeta expressed in Sf9 baculovirus system co-expressing p85alpha after 20 mins by AlphaScreen assay


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


(Homo sapiens (human))
BDBM50394841
PNG
(CHEMBL2165004 | US8772480, 228)
Show SMILES COc1ccc(Nc2ncc(CN3CCC(C3)S(C)(=O)=O)cc2-c2nc(C)nc(N)n2)cn1
Show InChI InChI=1S/C21H26N8O3S/c1-13-25-20(28-21(22)26-13)17-8-14(11-29-7-6-16(12-29)33(3,30)31)9-24-19(17)27-15-4-5-18(32-2)23-10-15/h4-5,8-10,16H,6-7,11-12H2,1-3H3,(H,24,27)(H2,22,25,26,28)
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5n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal poly-His tagged-PI3Kbeta expressed in Sf9 baculovirus system co-expressing p85alpha after 20 mins by AlphaScreen assay


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


(Homo sapiens (human))
BDBM50394846
PNG
(CHEMBL2165017 | US8772480, 35)
Show SMILES COc1ccc(Nc2ncc(CN3CCN(CC3)S(C)(=O)=O)cc2-c2nc(C)nc(N)n2)cn1
Show InChI InChI=1S/C21H27N9O3S/c1-14-25-20(28-21(22)26-14)17-10-15(13-29-6-8-30(9-7-29)34(3,31)32)11-24-19(17)27-16-4-5-18(33-2)23-12-16/h4-5,10-12H,6-9,13H2,1-3H3,(H,24,27)(H2,22,25,26,28)
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5n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal poly-His tagged-PI3Kbeta expressed in Sf9 baculovirus system co-expressing p85alpha after 20 mins by AlphaScreen assay


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


(Homo sapiens (human))
BDBM50394857
PNG
(CHEMBL2165033 | US8772480, 247)
Show SMILES COc1ccc(Nc2ncc(cc2-c2nc(C)nc(N)n2)-c2cnn(C)c2)cn1
Show InChI InChI=1S/C19H19N9O/c1-11-24-18(27-19(20)25-11)15-6-12(13-8-23-28(2)10-13)7-22-17(15)26-14-4-5-16(29-3)21-9-14/h4-10H,1-3H3,(H,22,26)(H2,20,24,25,27)
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6n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal poly-His tagged-PI3Kbeta expressed in Sf9 baculovirus system co-expressing p85alpha after 20 mins by AlphaScreen assay


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


(Homo sapiens (human))
BDBM50419757
PNG
(CHEMBL1949913)
Show SMILES CN1CCN(Cc2cc3c(nc(nc3s2)-c2cnc(N)nc2)N2CCOCC2)CC1
Show InChI InChI=1S/C20H26N8OS/c1-26-2-4-27(5-3-26)13-15-10-16-18(28-6-8-29-9-7-28)24-17(25-19(16)30-15)14-11-22-20(21)23-12-14/h10-12H,2-9,13H2,1H3,(H2,21,22,23)
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7n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Apparent binding affinity to PI3Kbeta using PIP3 as substrate after 30 mins by fluorescence polarization assay


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


(Homo sapiens (human))
BDBM50394845
PNG
(CHEMBL2165018 | US8772480, 211)
Show SMILES COc1ccc(Nc2ncc(CN3CCN(CC3)S(=O)(=O)N(C)C)cc2-c2nc(C)nc(N)n2)cn1
Show InChI InChI=1S/C22H30N10O3S/c1-15-26-21(29-22(23)27-15)18-11-16(12-25-20(18)28-17-5-6-19(35-4)24-13-17)14-31-7-9-32(10-8-31)36(33,34)30(2)3/h5-6,11-13H,7-10,14H2,1-4H3,(H,25,28)(H2,23,26,27,29)
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7n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal poly-His tagged-PI3Kbeta expressed in Sf9 baculovirus system co-expressing p85alpha after 20 mins by AlphaScreen assay


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


(Homo sapiens (human))
BDBM50394859
PNG
(CHEMBL2165031)
Show SMILES COc1ccc(Nc2ncc(cc2-c2nc(C)nc(N)n2)N2CCN(C)CC2)cn1
Show InChI InChI=1S/C20H25N9O/c1-13-24-19(27-20(21)25-13)16-10-15(29-8-6-28(2)7-9-29)12-23-18(16)26-14-4-5-17(30-3)22-11-14/h4-5,10-12H,6-9H2,1-3H3,(H,23,26)(H2,21,24,25,27)
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7n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal poly-His tagged-PI3Kbeta expressed in Sf9 baculovirus system co-expressing p85alpha after 20 mins by AlphaScreen assay


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


(Homo sapiens (human))
BDBM50394853
PNG
(CHEMBL2165010 | US8772480, 44)
Show SMILES COc1ccc(Nc2ncc(CN3CCOCC3)cc2-c2nc(C)nc(N)n2)cn1
Show InChI InChI=1S/C20H24N8O2/c1-13-24-19(27-20(21)25-13)16-9-14(12-28-5-7-30-8-6-28)10-23-18(16)26-15-3-4-17(29-2)22-11-15/h3-4,9-11H,5-8,12H2,1-2H3,(H,23,26)(H2,21,24,25,27)
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7n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal poly-His tagged-PI3Kbeta expressed in Sf9 baculovirus system co-expressing p85alpha after 20 mins by AlphaScreen assay


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


(Homo sapiens (human))
BDBM50394861
PNG
(CHEMBL2165029)
Show SMILES COc1ccc(Nc2ncc(cc2-c2nc(C)nc(N)n2)N2CCOCC2)cn1
Show InChI InChI=1S/C19H22N8O2/c1-12-23-18(26-19(20)24-12)15-9-14(27-5-7-29-8-6-27)11-22-17(15)25-13-3-4-16(28-2)21-10-13/h3-4,9-11H,5-8H2,1-2H3,(H,22,25)(H2,20,23,24,26)
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9n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal poly-His tagged-PI3Kbeta expressed in Sf9 baculovirus system co-expressing p85alpha after 20 mins by AlphaScreen assay


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


(Homo sapiens (human))
BDBM50394889
PNG
(CHEMBL2165268 | US8772480, 22)
Show SMILES Cc1nc(N)nc(n1)-c1cccnc1Nc1cccc2[nH]ccc12
Show InChI InChI=1S/C17H15N7/c1-10-21-16(24-17(18)22-10)12-4-3-8-20-15(12)23-14-6-2-5-13-11(14)7-9-19-13/h2-9,19H,1H3,(H,20,23)(H2,18,21,22,24)
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9n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal poly-His tagged-PI3Kbeta expressed in Sf9 baculovirus system co-expressing p85alpha after 20 mins by AlphaScreen assay


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


(Homo sapiens (human))
BDBM50434806
PNG
(CHEMBL2387080)
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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9.10n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta (unknown origin)


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


(Homo sapiens (human))
BDBM50394854
PNG
(CHEMBL2165009 | US8772480, 222)
Show SMILES COc1ccc(Nc2ncc(CN3CCCCC3)cc2-c2nc(C)nc(N)n2)cn1
Show InChI InChI=1S/C21H26N8O/c1-14-25-20(28-21(22)26-14)17-10-15(13-29-8-4-3-5-9-29)11-24-19(17)27-16-6-7-18(30-2)23-12-16/h6-7,10-12H,3-5,8-9,13H2,1-2H3,(H,24,27)(H2,22,25,26,28)
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11n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal poly-His tagged-PI3Kbeta expressed in Sf9 baculovirus system co-expressing p85alpha after 20 mins by AlphaScreen assay


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


(Homo sapiens (human))
BDBM50394840
PNG
(CHEMBL2165005)
Show SMILES COc1ccc(Nc2ncc(CN3CCS(=O)(=O)CC3)cc2-c2nc(C)nc(N)n2)cn1
Show InChI InChI=1S/C20H24N8O3S/c1-13-24-19(27-20(21)25-13)16-9-14(12-28-5-7-32(29,30)8-6-28)10-23-18(16)26-15-3-4-17(31-2)22-11-15/h3-4,9-11H,5-8,12H2,1-2H3,(H,23,26)(H2,21,24,25,27)
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13n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal poly-His tagged-PI3Kbeta expressed in Sf9 baculovirus system co-expressing p85alpha after 20 mins by AlphaScreen assay


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


(Homo sapiens (human))
BDBM50394843
PNG
(CHEMBL2165020 | US8772480, 155)
Show SMILES COc1ccc(Nc2ncc(CC3CCN(CC3)S(C)(=O)=O)cc2-c2nc(C)nc(N)n2)cn1
Show InChI InChI=1S/C22H28N8O3S/c1-14-26-21(29-22(23)27-14)18-11-16(10-15-6-8-30(9-7-15)34(3,31)32)12-25-20(18)28-17-4-5-19(33-2)24-13-17/h4-5,11-13,15H,6-10H2,1-3H3,(H,25,28)(H2,23,26,27,29)
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15n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal poly-His tagged-PI3Kbeta expressed in Sf9 baculovirus system co-expressing p85alpha after 20 mins by AlphaScreen assay


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


(Homo sapiens (human))
BDBM50433536
PNG
(CHEMBL2381373)
Show SMILES CC(C)n1ncnc1-c1nc-2c(CCOc3cc(ccc-23)-c2cnn(CCO)c2)s1
Show InChI InChI=1S/C21H22N6O2S/c1-13(2)27-20(22-12-24-27)21-25-19-16-4-3-14(15-10-23-26(11-15)6-7-28)9-17(16)29-8-5-18(19)30-21/h3-4,9-13,28H,5-8H2,1-2H3
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15n/an/an/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))
BDBM50394865
PNG
(CHEMBL2165025 | US8772480, 33)
Show SMILES COc1cnc(Nc2ccc(OC)nc2)c(c1)-c1nc(C)nc(N)n1
Show InChI InChI=1S/C16H17N7O2/c1-9-20-15(23-16(17)21-9)12-6-11(24-2)8-19-14(12)22-10-4-5-13(25-3)18-7-10/h4-8H,1-3H3,(H,19,22)(H2,17,20,21,23)
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15n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal poly-His tagged-PI3Kbeta expressed in Sf9 baculovirus system co-expressing p85alpha after 20 mins by AlphaScreen assay


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


(Homo sapiens (human))
BDBM50401254
PNG
(CHEMBL2206906 | US8772480, 335)
Show SMILES COCCOc1cnc(Nc2cnc(Cl)c(NS(C)(=O)=O)c2)c(c1)-c1nc(C)nc(N)n1
Show InChI InChI=1S/C18H21ClN8O4S/c1-10-23-17(26-18(20)24-10)13-7-12(31-5-4-30-2)9-22-16(13)25-11-6-14(15(19)21-8-11)27-32(3,28)29/h6-9,27H,4-5H2,1-3H3,(H,22,25)(H2,20,23,24,26)
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16n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal polyHis-tagged PI3K p110beta expressed in baculovirus infected Hi5 cells using Phosphatidylinositol-4,5-bisphosphate a...


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


(Homo sapiens (human))
BDBM50394847
PNG
(CHEMBL2165016)
Show SMILES COc1ccc(Nc2ncc(CN3CCN(CC3)C(=O)N(C)C)cc2-c2nc(C)nc(N)n2)cn1
Show InChI InChI=1S/C23H30N10O2/c1-15-27-21(30-22(24)28-15)18-11-16(14-32-7-9-33(10-8-32)23(34)31(2)3)12-26-20(18)29-17-5-6-19(35-4)25-13-17/h5-6,11-13H,7-10,14H2,1-4H3,(H,26,29)(H2,24,27,28,30)
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16n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal poly-His tagged-PI3Kbeta expressed in Sf9 baculovirus system co-expressing p85alpha after 20 mins by AlphaScreen assay


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


(Homo sapiens (human))
BDBM50394850
PNG
(CHEMBL2165013 | US8772480, 41)
Show SMILES COc1ccc(Nc2ncc(CN3CCNCC3)cc2-c2nc(C)nc(N)n2)cn1
Show InChI InChI=1S/C20H25N9O/c1-13-25-19(28-20(21)26-13)16-9-14(12-29-7-5-22-6-8-29)10-24-18(16)27-15-3-4-17(30-2)23-11-15/h3-4,9-11,22H,5-8,12H2,1-2H3,(H,24,27)(H2,21,25,26,28)
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17n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal poly-His tagged-PI3Kbeta expressed in Sf9 baculovirus system co-expressing p85alpha after 20 mins by AlphaScreen assay


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


(Homo sapiens (human))
BDBM50119621
PNG
(CHEMBL3618245)
Show SMILES COc1ncc(Nc2nc3ccc(cn3c2-c2nc(C)nc(N)n2)C(C)(C)O)cc1F
Show InChI InChI=1S/C20H21FN8O2/c1-10-24-16(28-19(22)25-10)15-17(26-12-7-13(21)18(31-4)23-8-12)27-14-6-5-11(9-29(14)15)20(2,3)30/h5-9,26,30H,1-4H3,(H2,22,24,25,28)
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17n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta (unknown origin) by alpha screen assay


Bioorg Med Chem Lett 25: 4136-42 (2015)

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


(Homo sapiens (human))
BDBM50394848
PNG
(CHEMBL2165015)
Show SMILES COC(=O)N1CCN(Cc2cnc(Nc3ccc(OC)nc3)c(c2)-c2nc(C)nc(N)n2)CC1
Show InChI InChI=1S/C22H27N9O3/c1-14-26-20(29-21(23)27-14)17-10-15(13-30-6-8-31(9-7-30)22(32)34-3)11-25-19(17)28-16-4-5-18(33-2)24-12-16/h4-5,10-12H,6-9,13H2,1-3H3,(H,25,28)(H2,23,26,27,29)
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18n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal poly-His tagged-PI3Kbeta expressed in Sf9 baculovirus system co-expressing p85alpha after 20 mins by AlphaScreen assay


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


(Homo sapiens (human))
BDBM50419758
PNG
(CHEMBL1949914)
Show SMILES Nc1ncc(cn1)-c1nc(N2CCOCC2)c2cc(CC3CCN(CC(F)(F)F)CC3)sc2n1
Show InChI InChI=1S/C22H26F3N7OS/c23-22(24,25)13-31-3-1-14(2-4-31)9-16-10-17-19(32-5-7-33-8-6-32)29-18(30-20(17)34-16)15-11-27-21(26)28-12-15/h10-12,14H,1-9,13H2,(H2,26,27,28)
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18n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Apparent binding affinity to PI3Kbeta using PIP3 as substrate after 30 mins by fluorescence polarization assay


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


(Homo sapiens (human))
BDBM50396616
PNG
(CHEMBL2171930 | US8765940, 4-(1-(7-fluoro-3-methyl...)
Show SMILES Cc1c(nc2cc(F)ccc2c1N1CC(C)(C)c2ncc(cc12)-c1ccnc(N)n1)-c1ccccn1
Show InChI InChI=1S/C28H24FN7/c1-16-24(21-6-4-5-10-31-21)34-22-13-18(29)7-8-19(22)25(16)36-15-28(2,3)26-23(36)12-17(14-33-26)20-9-11-32-27(30)35-20/h4-14H,15H2,1-3H3,(H2,30,32,35)
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18n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta using phosphatidylinositol-4,5-bisphosphate by ATP bioluminescence assay


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


(Homo sapiens (human))
BDBM50347076
PNG
(CHEMBL1796761)
Show SMILES CNC(=O)c1ccc2-c3sc(cc3CCOc2c1)C(=O)N(C)c1ccc(cc1Cl)C(=O)N(C)C
Show InChI InChI=1S/C25H24ClN3O4S/c1-27-23(30)15-5-7-17-20(12-15)33-10-9-14-13-21(34-22(14)17)25(32)29(4)19-8-6-16(11-18(19)26)24(31)28(2)3/h5-8,11-13H,9-10H2,1-4H3,(H,27,30)
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19n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Apparent binding affinity to PI3Kbeta using PIP3 as substrate after 30 mins by fluorescence polarization assay


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


(Homo sapiens (human))
BDBM50394863
PNG
(CHEMBL2165027)
Show SMILES COCc1cnc(Nc2ccc(OC)nc2)c(c1)-c1nc(C)nc(N)n1
Show InChI InChI=1S/C17H19N7O2/c1-10-21-16(24-17(18)22-10)13-6-11(9-25-2)7-20-15(13)23-12-4-5-14(26-3)19-8-12/h4-8H,9H2,1-3H3,(H,20,23)(H2,18,21,22,24)
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20n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal poly-His tagged-PI3Kbeta expressed in Sf9 baculovirus system co-expressing p85alpha after 20 mins by AlphaScreen assay


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


(Homo sapiens (human))
BDBM50394856
PNG
(CHEMBL2165034 | US8772480, 220)
Show SMILES COc1ccc(Nc2ncc(CN3CCC3)cc2-c2nc(C)nc(N)n2)cn1
Show InChI InChI=1S/C19H22N8O/c1-12-23-18(26-19(20)24-12)15-8-13(11-27-6-3-7-27)9-22-17(15)25-14-4-5-16(28-2)21-10-14/h4-5,8-10H,3,6-7,11H2,1-2H3,(H,22,25)(H2,20,23,24,26)
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22n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal poly-His tagged-PI3Kbeta expressed in Sf9 baculovirus system co-expressing p85alpha after 20 mins by AlphaScreen assay


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


(Homo sapiens (human))
BDBM50394888
PNG
(CHEMBL2165269 | US8772480, 25)
Show SMILES COc1ccc(Nc2ncccc2-c2nc(C)nc(N)n2)cn1
Show InChI InChI=1S/C15H15N7O/c1-9-19-14(22-15(16)20-9)11-4-3-7-17-13(11)21-10-5-6-12(23-2)18-8-10/h3-8H,1-2H3,(H,17,21)(H2,16,19,20,22)
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23n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal poly-His tagged-PI3Kbeta expressed in Sf9 baculovirus system co-expressing p85alpha after 20 mins by AlphaScreen assay


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


(Homo sapiens (human))
BDBM50363990
PNG
(CHEMBL1949915)
Show SMILES CS(=O)(=O)N1CCC(Cc2cc3c(nc(nc3s2)-c2cnc(N)nc2)N2CCOCC2)CC1
Show InChI InChI=1S/C21H27N7O3S2/c1-33(29,30)28-4-2-14(3-5-28)10-16-11-17-19(27-6-8-31-9-7-27)25-18(26-20(17)32-16)15-12-23-21(22)24-13-15/h11-14H,2-10H2,1H3,(H2,22,23,24)
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25n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Apparent binding affinity to PI3Kbeta using PIP3 as substrate after 30 mins by fluorescence polarization assay


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


(Homo sapiens (human))
BDBM50394883
PNG
(CHEMBL2165037 | US8772480, 57)
Show SMILES Cc1nc(-c2cccnc2Nc2cccc3n[nH]cc23)c2[nH]cnc2n1
Show InChI InChI=1S/C18H14N8/c1-10-23-15(16-18(24-10)21-9-20-16)11-4-3-7-19-17(11)25-13-5-2-6-14-12(13)8-22-26-14/h2-9H,1H3,(H,19,25)(H,22,26)(H,20,21,23,24)
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28n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal poly-His tagged-PI3Kbeta expressed in Sf9 baculovirus system co-expressing p85alpha after 20 mins by AlphaScreen assay


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


(Homo sapiens (human))
BDBM50419769
PNG
(CHEMBL1950034)
Show SMILES CN(C(=O)c1cc2CCOc3ccc(cc3-c2s1)C(N)=O)c1ccccc1Cl
Show InChI InChI=1S/C21H17ClN2O3S/c1-24(16-5-3-2-4-15(16)22)21(26)18-11-12-8-9-27-17-7-6-13(20(23)25)10-14(17)19(12)28-18/h2-7,10-11H,8-9H2,1H3,(H2,23,25)
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30n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Apparent binding affinity to PI3Kbeta using PIP3 as substrate after 30 mins by fluorescence polarization assay


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


(Homo sapiens (human))
BDBM50396610
PNG
(CHEMBL2171929 | US8765940, 4-(3,3-dimethyl-6-(4-mo...)
Show SMILES Cc1c(nc2cc(F)ccc2c1N1CC(C)(C)c2ncc(cc12)N1CCOCC1)-c1ccccn1
Show InChI InChI=1S/C28H28FN5O/c1-18-25(22-6-4-5-9-30-22)32-23-14-19(29)7-8-21(23)26(18)34-17-28(2,3)27-24(34)15-20(16-31-27)33-10-12-35-13-11-33/h4-9,14-16H,10-13,17H2,1-3H3
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30n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta using phosphatidylinositol-4,5-bisphosphate by ATP bioluminescence assay


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


(Homo sapiens (human))
BDBM50419766
PNG
(CHEMBL1949924)
Show SMILES CN(C(=O)c1cc2CCOc3cc(ccc3-c2s1)C(=O)NCCN)c1ccccc1Cl
Show InChI InChI=1S/C23H22ClN3O3S/c1-27(18-5-3-2-4-17(18)24)23(29)20-13-14-8-11-30-19-12-15(22(28)26-10-9-25)6-7-16(19)21(14)31-20/h2-7,12-13H,8-11,25H2,1H3,(H,26,28)
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31n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Apparent binding affinity to PI3Kbeta using PIP3 as substrate after 30 mins by fluorescence polarization assay


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


(Homo sapiens (human))
BDBM50419765
PNG
(CHEMBL1949923)
Show SMILES CNCc1ccc2-c3sc(cc3CCOc2c1)C(=O)N(C)c1ccccc1Cl
Show InChI InChI=1S/C22H21ClN2O2S/c1-24-13-14-7-8-16-19(11-14)27-10-9-15-12-20(28-21(15)16)22(26)25(2)18-6-4-3-5-17(18)23/h3-8,11-12,24H,9-10,13H2,1-2H3
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33n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Apparent binding affinity to PI3Kbeta using PIP3 as substrate after 30 mins by fluorescence polarization assay


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


(Homo sapiens (human))
BDBM50394887
PNG
(CHEMBL2165270 | US8772480, 26)
Show SMILES Cc1nc(N)cc(n1)-c1cccnc1Nc1cccc(O)c1
Show InChI InChI=1S/C16H15N5O/c1-10-19-14(9-15(17)20-10)13-6-3-7-18-16(13)21-11-4-2-5-12(22)8-11/h2-9,22H,1H3,(H,18,21)(H2,17,19,20)
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35n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal poly-His tagged-PI3Kbeta expressed in Sf9 baculovirus system co-expressing p85alpha after 20 mins by AlphaScreen assay


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


(Homo sapiens (human))
BDBM50394868
PNG
(CHEMBL2165022 | US8772480, 184)
Show SMILES COc1ccc(Nc2ncc(Cl)cc2-c2nc(C)nc(N)n2)cn1
Show InChI InChI=1S/C15H14ClN7O/c1-8-20-14(23-15(17)21-8)11-5-9(16)6-19-13(11)22-10-3-4-12(24-2)18-7-10/h3-7H,1-2H3,(H,19,22)(H2,17,20,21,23)
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38n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal poly-His tagged-PI3Kbeta expressed in Sf9 baculovirus system co-expressing p85alpha after 20 mins by AlphaScreen assay


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


(Homo sapiens (human))
BDBM50419773
PNG
(CHEMBL1949917)
Show SMILES CN(Cc1cc2c(nc(nc2s1)-c1cnc(N)nc1)N1CCOCC1)S(C)(=O)=O
Show InChI InChI=1S/C17H21N7O3S2/c1-23(29(2,25)26)10-12-7-13-15(24-3-5-27-6-4-24)21-14(22-16(13)28-12)11-8-19-17(18)20-9-11/h7-9H,3-6,10H2,1-2H3,(H2,18,19,20)
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39n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Apparent binding affinity to PI3Kbeta using PIP3 as substrate after 30 mins by fluorescence polarization assay


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


(Homo sapiens (human))
BDBM50394852
PNG
(CHEMBL2165011 | US8772480, 215)
Show SMILES COc1ccc(Nc2ncc(CN3CCC(O)CC3)cc2-c2nc(C)nc(N)n2)cn1
Show InChI InChI=1S/C21H26N8O2/c1-13-25-20(28-21(22)26-13)17-9-14(12-29-7-5-16(30)6-8-29)10-24-19(17)27-15-3-4-18(31-2)23-11-15/h3-4,9-11,16,30H,5-8,12H2,1-2H3,(H,24,27)(H2,22,25,26,28)
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41n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal poly-His tagged-PI3Kbeta expressed in Sf9 baculovirus system co-expressing p85alpha after 20 mins by AlphaScreen assay


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


(Homo sapiens (human))
BDBM50419756
PNG
(CHEMBL1949912)
Show SMILES Nc1ncc(cn1)-c1nc(N2CCOCC2)c2ccsc2n1
Show InChI InChI=1S/C14H14N6OS/c15-14-16-7-9(8-17-14)11-18-12(20-2-4-21-5-3-20)10-1-6-22-13(10)19-11/h1,6-8H,2-5H2,(H2,15,16,17)
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41n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Apparent binding affinity to PI3Kbeta using PIP3 as substrate after 30 mins by fluorescence polarization assay


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


(Homo sapiens (human))
BDBM50419759
PNG
(CHEMBL1949916)
Show SMILES CS(=O)(=O)C1CCN(Cc2cc3c(nc(nc3s2)-c2cnc(N)nc2)N2CCOCC2)CC1
Show InChI InChI=1S/C21H27N7O3S2/c1-33(29,30)16-2-4-27(5-3-16)13-15-10-17-19(28-6-8-31-9-7-28)25-18(26-20(17)32-15)14-11-23-21(22)24-12-14/h10-12,16H,2-9,13H2,1H3,(H2,22,23,24)
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42n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Apparent binding affinity to PI3Kbeta using PIP3 as substrate after 30 mins by fluorescence polarization assay


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


(Homo sapiens (human))
BDBM50419761
PNG
(CHEMBL1949919)
Show SMILES CS(=O)(=O)c1cccc(c1)-c1cc2c(nc(nc2s1)-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C21H20N6O3S2/c1-32(28,29)15-4-2-3-13(9-15)17-10-16-19(27-5-7-30-8-6-27)25-18(26-20(16)31-17)14-11-23-21(22)24-12-14/h2-4,9-12H,5-8H2,1H3,(H2,22,23,24)
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43n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Apparent binding affinity to PI3Kbeta using PIP3 as substrate after 30 mins by fluorescence polarization assay


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


(Homo sapiens (human))
BDBM50341063
PNG
(2-(4-(2-(3-hydroxyphenylamino)-1H-benzo[d]imidazol...)
Show SMILES Cc1nc(NCC#N)nc(n1)-n1c(Nc2cccc(O)c2)nc2ccccc12
Show InChI InChI=1S/C19H16N8O/c1-12-22-17(21-10-9-20)26-18(23-12)27-16-8-3-2-7-15(16)25-19(27)24-13-5-4-6-14(28)11-13/h2-8,11,28H,10H2,1H3,(H,24,25)(H,21,22,23,26)
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43n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal poly-His tagged-PI3Kbeta expressed in Sf9 baculovirus system co-expressing p85alpha after 20 mins by AlphaScreen assay


Citation and Details
More data for this
Ligand-Target Pair
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