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Found 129 hits Enz. Inhib. hit(s) with Target = 'p110β/p85α'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
p110β/p85α


(Homo sapiens (Human))
BDBM50230926
PNG
(CHEMBL4083504)
PDB

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n/an/a 3.90n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50175003
PNG
(CHEMBL3808812)
Show SMILES CCN1CCN(CC1)c1cc(F)c(NC(=O)N2CCc3c2nc(nc3-c2cnc(N)nc2)N2CCOCC2)c(F)c1
Show InChI InChI=1S/C27H32F2N10O2/c1-2-36-5-7-37(8-6-36)18-13-20(28)23(21(29)14-18)34-27(40)39-4-3-19-22(17-15-31-25(30)32-16-17)33-26(35-24(19)39)38-9-11-41-12-10-38/h13-16H,2-12H2,1H3,(H,34,40)(H2,30,31,32)
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n/an/a 7n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human PI3K p110beta/p85alpha expressed in baculovirus preincubated for 20 mins followed by addition of phosphorylate phosphatidylinosit...


Citation and Details
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50435576
PNG
(CHEMBL2393134)
Show SMILES CN(C)CCCOc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C24H32F2N8O3/c1-31(2)7-4-12-37-18-6-3-5-17-19(18)27-21(20(25)26)34(17)24-29-22(32-8-13-35-14-9-32)28-23(30-24)33-10-15-36-16-11-33/h3,5-6,20H,4,7-16H2,1-2H3
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n/an/a 7.30n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3K p110beta/p85alpha (unknown origin) using phosphotidylinositol as susbstrate after 1 hr by thin layer paper chromatogra...


Eur J Med Chem 64: 137-47 (2013)

More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM179448
PNG
(US9675616, 5 rel-2-Amino-N-(8-{[(2R)-2-hydroxy-3-{...)
Show SMILES COc1c(OCC(O)CN[C@@H](C)c2ccccc2)ccc2C3=NCCN3C(NC(=O)c3cnc(N)nc3)=Nc12
Show InChI InChI=1/C27H30N8O4/c1-16(17-6-4-3-5-7-17)30-14-19(36)15-39-21-9-8-20-22(23(21)38-2)33-27(35-11-10-29-24(20)35)34-25(37)18-12-31-26(28)32-13-18/h3-9,12-13,16,19,30,36H,10-11,14-15H2,1-2H3,(H2,28,31,32)(H,33,34,37)/t16-,19?/s2
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BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 nL of a 80-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384-well microtiter plate (G...


Citation and Details
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM179449
PNG
(US9675616, 6 2-Amino-N-(8-{[(2S)-2-hydroxy-3-{[(1S...)
Show SMILES COc1c(OC[C@@H](O)CN[C@@H](C)c2ccccc2)ccc2C3=NCCN3C(NC(=O)c3cnc(N)nc3)=Nc12
Show InChI InChI=1/C27H30N8O4/c1-16(17-6-4-3-5-7-17)30-14-19(36)15-39-21-9-8-20-22(23(21)38-2)33-27(35-11-10-29-24(20)35)34-25(37)18-12-31-26(28)32-13-18/h3-9,12-13,16,19,30,36H,10-11,14-15H2,1-2H3,(H2,28,31,32)(H,33,34,37)/t16-,19-/s2
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BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 nL of a 80-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384-well microtiter plate (G...


Citation and Details
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM179450
PNG
(US9675616, 7 2-Amino-N-(8-{[(2R)-2-hydroxy-3-{[(1S...)
Show SMILES COc1c(OC[C@H](O)CN[C@@H](C)c2ccccc2)ccc2C3=NCCN3C(NC(=O)c3cnc(N)nc3)=Nc12
Show InChI InChI=1/C27H30N8O4/c1-16(17-6-4-3-5-7-17)30-14-19(36)15-39-21-9-8-20-22(23(21)38-2)33-27(35-11-10-29-24(20)35)34-25(37)18-12-31-26(28)32-13-18/h3-9,12-13,16,19,30,36H,10-11,14-15H2,1-2H3,(H2,28,31,32)(H,33,34,37)/t16-,19+/s2
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n/an/a<10n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 nL of a 80-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384-well microtiter plate (G...


Citation and Details
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM92862
PNG
(US9284315, BEZ-235 | mTOR Inhibitor, BEZ235)
Show SMILES Cn1c2cnc3ccc(cc3c2n(-c2ccc(cc2)C(C)(C)C#N)c1=O)-c1cnc2ccccc2c1
Show InChI InChI=1S/C30H23N5O/c1-30(2,18-31)22-9-11-23(12-10-22)35-28-24-15-19(21-14-20-6-4-5-7-25(20)32-16-21)8-13-26(24)33-17-27(28)34(3)29(35)36/h4-17H,1-3H3
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n/an/a 16n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50435583
PNG
(CHEMBL2393147)
Show SMILES OCCOc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C21H25F2N7O4/c22-17(23)18-24-16-14(2-1-3-15(16)34-13-8-31)30(18)21-26-19(28-4-9-32-10-5-28)25-20(27-21)29-6-11-33-12-7-29/h1-3,17,31H,4-13H2
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n/an/a 16n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3K p110beta/p85alpha (unknown origin) using phosphotidylinositol as susbstrate after 1 hr by thin layer paper chromatogra...


Eur J Med Chem 64: 137-47 (2013)

More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50233667
PNG
(CHEMBL4088969)
PDB

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n/an/a 24n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50435581
PNG
(CHEMBL2393143)
Show SMILES OCC(O)COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C22H27F2N7O5/c23-18(24)19-25-17-15(2-1-3-16(17)36-13-14(33)12-32)31(19)22-27-20(29-4-8-34-9-5-29)26-21(28-22)30-6-10-35-11-7-30/h1-3,14,18,32-33H,4-13H2
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n/an/a 24n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3K p110beta/p85alpha (unknown origin) using phosphotidylinositol as susbstrate after 1 hr by thin layer paper chromatogra...


Eur J Med Chem 64: 137-47 (2013)

More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM139717
PNG
(US8895549, 2 | US9675616, 2 N-(8-{[(2R)-2-hydroxy-...)
Show SMILES COc1c(OC[C@H](O)CN2CCOCC2)ccc2C3=NCCN3C(NC(=O)c3cccnc3)=Nc12
Show InChI InChI=1/C24H28N6O5/c1-33-21-19(35-15-17(31)14-29-9-11-34-12-10-29)5-4-18-20(21)27-24(30-8-7-26-22(18)30)28-23(32)16-3-2-6-25-13-16/h2-6,13,17,31H,7-12,14-15H2,1H3,(H,27,28,32)/t17-/s2
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n/an/a 30n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 nL of a 80-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384-well microtiter plate (G...


Citation and Details
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM259445
PNG
(US9512114, 4)
Show SMILES C[C@H](Nc1ncnc(N)c1-c1nnc(C)o1)c1cc2cccc(Cl)c2c(=O)n1C1CC1
Show InChI InChI=1/C21H20ClN7O2/c1-10(26-19-17(18(23)24-9-25-19)20-28-27-11(2)31-20)15-8-12-4-3-5-14(22)16(12)21(30)29(15)13-6-7-13/h3-5,8-10,13H,6-7H2,1-2H3,(H3,23,24,25,26)/t10-/s2
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n/an/a 30n/an/an/an/an/a25



CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
PI3K (p1103/p85α) (h) is incubated in assay buffer containing 10 μM phosphatidylinositol-4, 5-bisphosphate and MgATP (concentration as requ...


Citation and Details
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50435574
PNG
(CHEMBL2393136)
Show SMILES CN(C)CC(O)COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C24H32F2N8O4/c1-31(2)14-16(35)15-38-18-5-3-4-17-19(18)27-21(20(25)26)34(17)24-29-22(32-6-10-36-11-7-32)28-23(30-24)33-8-12-37-13-9-33/h3-5,16,20,35H,6-15H2,1-2H3
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n/an/a 30n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3K p110beta/p85alpha (unknown origin) using phosphotidylinositol as susbstrate after 1 hr by thin layer paper chromatogra...


Eur J Med Chem 64: 137-47 (2013)

More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM25028
PNG
(4-[2-(1H-indazol-4-yl)-6-[(4-methanesulfonylpipera...)
Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
Show InChI InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27)
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n/an/a 33n/an/an/an/a7.522



Piramed Pharma



Assay Description
Test compounds were added to reaction buffer containing yttrium silicate (Ysi) polylysine SPA beads (Amersham), and the enzyme was added to the assay...


J Med Chem 51: 5522-32 (2008)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
p110β/p85α


(Homo sapiens (Human))
BDBM259449
PNG
(US9512114, 8 | US9657007, Example 8)
Show SMILES C[C@H](Nc1ncnc(N)c1-c1nc(C)no1)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1
Show InChI InChI=1/C24H20ClN7O2/c1-13(29-22-20(21(26)27-12-28-22)23-30-14(2)31-34-23)18-11-15-7-6-10-17(25)19(15)24(33)32(18)16-8-4-3-5-9-16/h3-13H,1-2H3,(H3,26,27,28,29)/t13-/s2
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n/an/a 33n/an/an/an/an/a25



CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
PI3K (p1103/p85α) (h) is incubated in assay buffer containing 10 μM phosphatidylinositol-4, 5-bisphosphate and MgATP (concentration as requ...


Citation and Details
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM189408
PNG
(US9670194, Ex. 41 (S)-2-(1-((6-amino-5-(3-methyl-1...)
Show SMILES C[C@H](Nc1ncnc(N)c1-c1nc(C)no1)c1nc2cccc(Cl)c2c(=O)n1C1CC1
Show InChI InChI=1/C20H19ClN8O2/c1-9(25-17-15(16(22)23-8-24-17)19-26-10(2)28-31-19)18-27-13-5-3-4-12(21)14(13)20(30)29(18)11-6-7-11/h3-5,8-9,11H,6-7H2,1-2H3,(H3,22,23,24,25)/t9-/s2
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n/an/a 35n/an/an/an/an/a25



CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
PI3K (p110β/p85α) (h) is incubated in assay buffer containing 10 μM phosphatidylinositol-4,5-bisphosphate and MgATP (concentration as ...


Citation and Details
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM259459
PNG
(US9512114, 24 | US9657007, Example 24)
Show SMILES C[C@H](Nc1ncnc(N)c1-c1nc(C)no1)c1cc2cccc(Cl)c2c(=O)n1C1CC1
Show InChI InChI=1/C21H20ClN7O2/c1-10(26-19-17(18(23)24-9-25-19)20-27-11(2)28-31-20)15-8-12-4-3-5-14(22)16(12)21(30)29(15)13-6-7-13/h3-5,8-10,13H,6-7H2,1-2H3,(H3,23,24,25,26)/t10-/s2
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n/an/a 38n/an/an/an/an/a25



CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
PI3K (p1103/p85α) (h) is incubated in assay buffer containing 10 μM phosphatidylinositol-4, 5-bisphosphate and MgATP (concentration as requ...


Citation and Details
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM139715
PNG
(US8895549, Comparative Example 1 | US9675616, 1 N-...)
Show SMILES COc1c(OCC(O)CN2CCOCC2)ccc2C3=NCCN3C(NC(=O)c3cccnc3)=Nc12
Show InChI InChI=1/C24H28N6O5/c1-33-21-19(35-15-17(31)14-29-9-11-34-12-10-29)5-4-18-20(21)27-24(30-8-7-26-22(18)30)28-23(32)16-3-2-6-25-13-16/h2-6,13,17,31H,7-12,14-15H2,1H3,(H,27,28,32)
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n/an/a>50n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 nL of a 80-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384-well microtiter plate (G...


Citation and Details
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM139721
PNG
(US8895549, 3 | US9675616, 3 N-(8-{[(2S)-2-hydroxy-...)
Show SMILES COc1c(OC[C@@H](O)CN2CCOCC2)ccc2C3=NCCN3C(NC(=O)c3cccnc3)=Nc12
Show InChI InChI=1/C24H28N6O5/c1-33-21-19(35-15-17(31)14-29-9-11-34-12-10-29)5-4-18-20(21)27-24(30-8-7-26-22(18)30)28-23(32)16-3-2-6-25-13-16/h2-6,13,17,31H,7-12,14-15H2,1H3,(H,27,28,32)/t17-/s2
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n/an/a>50n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 nL of a 80-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384-well microtiter plate (G...


Citation and Details
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50360063
PNG
(CHEMBL1928561)
Show SMILES Cc1ccc(cc1S(=O)(=O)N(CCO)\N=C\c1cnn2ccc(cc12)C#N)[N+]([O-])=O
Show InChI InChI=1S/C18H16N6O5S/c1-13-2-3-16(24(26)27)9-18(13)30(28,29)23(6-7-25)21-12-15-11-20-22-5-4-14(10-19)8-17(15)22/h2-5,8-9,11-12,25H,6-7H2,1H3/b21-12+
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n/an/a 51n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant human p110beta/N-terminal His-tagged human p85alpha expressed in baculovirus infected sf cells using L-alpha-phosphatidylin...


Bioorg Med Chem Lett 27: 187-190 (2017)

More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50435573
PNG
(CHEMBL2393137)
Show SMILES OC(COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1)CN1CCOCC1
Show InChI InChI=1S/C26H34F2N8O5/c27-22(28)23-29-21-19(2-1-3-20(21)41-17-18(37)16-33-4-10-38-11-5-33)36(23)26-31-24(34-6-12-39-13-7-34)30-25(32-26)35-8-14-40-15-9-35/h1-3,18,22,37H,4-17H2
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n/an/a 53n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3K p110beta/p85alpha (unknown origin) using phosphotidylinositol as susbstrate after 1 hr by thin layer paper chromatogra...


Eur J Med Chem 64: 137-47 (2013)

More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50435572
PNG
(CHEMBL2393138)
Show SMILES CN(C)CCNc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C23H31F2N9O2/c1-31(2)7-6-26-16-4-3-5-17-18(16)27-20(19(24)25)34(17)23-29-21(32-8-12-35-13-9-32)28-22(30-23)33-10-14-36-15-11-33/h3-5,19,26H,6-15H2,1-2H3
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n/an/a 73n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3K p110beta/p85alpha (unknown origin) using phosphotidylinositol as susbstrate after 1 hr by thin layer paper chromatogra...


Eur J Med Chem 64: 137-47 (2013)

More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50435577
PNG
(CHEMBL2393133)
Show SMILES NCCCOc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C22H28F2N8O3/c23-18(24)19-26-17-15(3-1-4-16(17)35-10-2-5-25)32(19)22-28-20(30-6-11-33-12-7-30)27-21(29-22)31-8-13-34-14-9-31/h1,3-4,18H,2,5-14,25H2
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n/an/a 75n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3K p110beta/p85alpha (unknown origin) using phosphotidylinositol as susbstrate after 1 hr by thin layer paper chromatogra...


Eur J Med Chem 64: 137-47 (2013)

More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50435575
PNG
(CHEMBL2393135)
Show SMILES FC(F)c1nc2c(OCCCN3CCOCC3)cccc2n1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C26H34F2N8O4/c27-22(28)23-29-21-19(3-1-4-20(21)40-12-2-5-33-6-13-37-14-7-33)36(23)26-31-24(34-8-15-38-16-9-34)30-25(32-26)35-10-17-39-18-11-35/h1,3-4,22H,2,5-18H2
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n/an/a 76n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3K p110beta/p85alpha (unknown origin) using phosphotidylinositol as susbstrate after 1 hr by thin layer paper chromatogra...


Eur J Med Chem 64: 137-47 (2013)

More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50209295
PNG
(CHEMBL3884928)
Show SMILES CN(C)CCCN(C)c1ccc(cc1S(=O)(=O)N(C)\N=C\c1cnn2ccc(cc12)C#N)[N+]([O-])=O
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n/an/a 76n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant human p110beta/N-terminal His-tagged human p85alpha expressed in baculovirus infected sf cells using L-alpha-phosphatidylin...


Bioorg Med Chem Lett 27: 187-190 (2017)

More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50117874
PNG
(CHEMBL3612310)
Show SMILES CCN(CC)CCNC(=O)Nc1nc2ccc(cc2s1)-c1cnc(OC)c(NS(=O)(=O)c2ccc(F)cc2)c1
Show InChI InChI=1S/C26H29FN6O4S2/c1-4-33(5-2)13-12-28-25(34)31-26-30-21-11-6-17(15-23(21)38-26)18-14-22(24(37-3)29-16-18)32-39(35,36)20-9-7-19(27)8-10-20/h6-11,14-16,32H,4-5,12-13H2,1-3H3,(H2,28,30,31,34)
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n/an/a 90n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of p110beta/p85alpha (unknown origin) incubated for 40 mins by luciferase based ATP depletion assay


Citation and Details
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50208165
PNG
(CHEMBL3910904)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nn2ccc(C#N)c2c(=O)n1-c1ccccc1
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n/an/a 94n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal Hi6s-tagged PI3K p110beta/full length human p85alpha expressed in baculovirus infected Sf21 in...


ACS Med Chem Lett 8: 118-123 (2017)

More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM259451
PNG
(US9512114, 11 | US9657007, Example 11)
Show SMILES C[C@H](Nc1ncnc(N)c1-c1noc(C)n1)c1cc2cccc(Cl)c2c(=O)n1C1CC1
Show InChI InChI=1/C21H20ClN7O2/c1-10(26-19-17(18(23)24-9-25-19)20-27-11(2)31-28-20)15-8-12-4-3-5-14(22)16(12)21(30)29(15)13-6-7-13/h3-5,8-10,13H,6-7H2,1-2H3,(H3,23,24,25,26)/t10-/s2
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n/an/a 102n/an/an/an/an/a25



CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
PI3K (p1103/p85α) (h) is incubated in assay buffer containing 10 μM phosphatidylinositol-4, 5-bisphosphate and MgATP (concentration as requ...


Citation and Details
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50435579
PNG
(CHEMBL2393145)
Show SMILES CN(C)CCOc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C23H30F2N8O3/c1-30(2)6-15-36-17-5-3-4-16-18(17)26-20(19(24)25)33(16)23-28-21(31-7-11-34-12-8-31)27-22(29-23)32-9-13-35-14-10-32/h3-5,19H,6-15H2,1-2H3
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n/an/a 105n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3K p110beta/p85alpha (unknown origin) using phosphotidylinositol as susbstrate after 1 hr by thin layer paper chromatogra...


Eur J Med Chem 64: 137-47 (2013)

More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM25083
PNG
(6-(1H-indol-4-yl)-pteridin-2,4-diamine | 6-(1H-ind...)
Show SMILES Nc1nc(N)c2nc(cnc2n1)-c1cccc2[nH]ccc12
Show InChI InChI=1S/C14H11N7/c15-12-11-13(21-14(16)20-12)18-6-10(19-11)7-2-1-3-9-8(7)4-5-17-9/h1-6,17H,(H4,15,16,18,20,21)
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n/an/a 107n/an/an/an/a7.422



TargeGen Inc.



Assay Description
The luminescence-based kinase assay with recombinant phosphatidylinositol 3-kinase (Upstate Cell Signaling Solutions) was used for the determination ...


Proc Natl Acad Sci U S A 103: 19866-71 (2006)

More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM188145
PNG
(US9670194, Ex. 4 (S)-2-(1-((6-amino-5-(3-methyl-1,...)
Show SMILES CC[C@H](Nc1ncnc(N)c1-c1nc(C)no1)c1nc2cccc(Cl)c2c(=O)n1C1CC1
Show InChI InChI=1/C21H21ClN8O2/c1-3-13(27-18-16(17(23)24-9-25-18)20-26-10(2)29-32-20)19-28-14-6-4-5-12(22)15(14)21(31)30(19)11-7-8-11/h4-6,9,11,13H,3,7-8H2,1-2H3,(H3,23,24,25,27)/t13-/s2
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n/an/a 113n/an/an/an/an/a25



CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
PI3K (p110β/p85α) (h) is incubated in assay buffer containing 10 μM phosphatidylinositol-4,5-bisphosphate and MgATP (concentration as ...


Citation and Details
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50435580
PNG
(CHEMBL2393144)
Show SMILES NCCOc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C21H26F2N8O3/c22-17(23)18-25-16-14(2-1-3-15(16)34-9-4-24)31(18)21-27-19(29-5-10-32-11-6-29)26-20(28-21)30-7-12-33-13-8-30/h1-3,17H,4-13,24H2
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n/an/a 130n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3K p110beta/p85alpha (unknown origin) using phosphotidylinositol as susbstrate after 1 hr by thin layer paper chromatogra...


Eur J Med Chem 64: 137-47 (2013)

More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM188124
PNG
(US9670194, Ex. 3 (S)-2-(1-((6-amino-5-(3-methyl-1,...)
Show SMILES CC[C@H](Nc1ncnc(N)c1-c1nc(C)no1)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1
Show InChI InChI=1/C24H21ClN8O2/c1-3-16(30-21-19(20(26)27-12-28-21)23-29-13(2)32-35-23)22-31-17-11-7-10-15(25)18(17)24(34)33(22)14-8-5-4-6-9-14/h4-12,16H,3H2,1-2H3,(H3,26,27,28,30)/t16-/s2
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n/an/a 142n/an/an/an/an/a25



CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
PI3K (p110β/p85α) (h) is incubated in assay buffer containing 10 μM phosphatidylinositol-4,5-bisphosphate and MgATP (concentration as ...


Citation and Details
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50209603
PNG
(CHEMBL3883390)
Show SMILES CN(CCn1ccnc1)c1ccc(cc1S(=O)(=O)N(C)\N=C\c1cnn2ccc(cc12)C#N)[N+]([O-])=O
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n/an/a 150n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant human p110beta/N-terminal His-tagged human p85alpha expressed in baculovirus infected sf cells using L-alpha-phosphatidylin...


Bioorg Med Chem Lett 27: 187-190 (2017)

More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50435578
PNG
(CHEMBL2393132)
Show SMILES FC(F)c1nc2c(OCCN3CCOCC3)cccc2n1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C25H32F2N8O4/c26-21(27)22-28-20-18(2-1-3-19(20)39-17-6-32-4-11-36-12-5-32)35(22)25-30-23(33-7-13-37-14-8-33)29-24(31-25)34-9-15-38-16-10-34/h1-3,21H,4-17H2
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n/an/a 150n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3K p110beta/p85alpha (unknown origin) using phosphotidylinositol as susbstrate after 1 hr by thin layer paper chromatogra...


Eur J Med Chem 64: 137-47 (2013)

More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM189846
PNG
(US9670194, Ex. 65 (S)-2-(1-((6-amino-5-(3-methyl-1...)
Show SMILES C[C@H](Nc1ncnc(N)c1-c1nc(C)no1)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1
Show InChI InChI=1/C23H19ClN8O2/c1-12(28-20-18(19(25)26-11-27-20)22-29-13(2)31-34-22)21-30-16-10-6-9-15(24)17(16)23(33)32(21)14-7-4-3-5-8-14/h3-12H,1-2H3,(H3,25,26,27,28)/t12-/s2
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n/an/a 154n/an/an/an/an/a25



CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
PI3K (p110β/p85α) (h) is incubated in assay buffer containing 10 μM phosphatidylinositol-4,5-bisphosphate and MgATP (concentration as ...


Citation and Details
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50209503
PNG
(CHEMBL3884092)
Show SMILES CN(CCc1ccncc1)c1ccc(cc1S(=O)(=O)N(C)\N=C\c1cnn2ccc(cc12)C#N)[N+]([O-])=O
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n/an/a 160n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant human p110beta/N-terminal His-tagged human p85alpha expressed in baculovirus infected sf cells using L-alpha-phosphatidylin...


Bioorg Med Chem Lett 27: 187-190 (2017)

More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM188117
PNG
(US9670194, Ex. 2 (S)-2-(1-((6-amino-5-(5-methyl-1,...)
Show SMILES CC[C@H](Nc1ncnc(N)c1-c1nnc(C)o1)c1nc2cccc(Cl)c2c(=O)n1C1CC1
Show InChI InChI=1/C21H21ClN8O2/c1-3-13(26-18-16(17(23)24-9-25-18)20-29-28-10(2)32-20)19-27-14-6-4-5-12(22)15(14)21(31)30(19)11-7-8-11/h4-6,9,11,13H,3,7-8H2,1-2H3,(H3,23,24,25,26)/t13-/s2
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n/an/a 168n/an/an/an/an/a25



CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
PI3K (p110β/p85α) (h) is incubated in assay buffer containing 10 μM phosphatidylinositol-4,5-bisphosphate and MgATP (concentration as ...


Citation and Details
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50435582
PNG
(CHEMBL2393148)
Show SMILES OCCCOc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C22H27F2N7O4/c23-18(24)19-25-17-15(3-1-4-16(17)35-10-2-9-32)31(19)22-27-20(29-5-11-33-12-6-29)26-21(28-22)30-7-13-34-14-8-30/h1,3-4,18,32H,2,5-14H2
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n/an/a 170n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3K p110beta/p85alpha (unknown origin) using phosphotidylinositol as susbstrate after 1 hr by thin layer paper chromatogra...


Eur J Med Chem 64: 137-47 (2013)

More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM259461
PNG
(US9512114, 26)
Show SMILES C[C@H](Nc1ncnc(N)c1-c1nc(C)no1)c1cc2cccc(-c3cnn(C)c3)c2c(=O)n1C1CC1
Show InChI InChI=1/C25H25N9O2/c1-13(30-23-21(22(26)27-12-28-23)24-31-14(2)32-36-24)19-9-15-5-4-6-18(16-10-29-33(3)11-16)20(15)25(35)34(19)17-7-8-17/h4-6,9-13,17H,7-8H2,1-3H3,(H3,26,27,28,30)/t13-/s2
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n/an/a 176n/an/an/an/an/a25



CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
PI3K (p1103/p85α) (h) is incubated in assay buffer containing 10 μM phosphatidylinositol-4, 5-bisphosphate and MgATP (concentration as requ...


Citation and Details
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50209602
PNG
(CHEMBL3883515)
Show SMILES CN(CCc1cccnc1)c1ccc(cc1S(=O)(=O)N(C)\N=C\c1cnn2ccc(cc12)C#N)[N+]([O-])=O
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n/an/a 180n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant human p110beta/N-terminal His-tagged human p85alpha expressed in baculovirus infected sf cells using L-alpha-phosphatidylin...


Bioorg Med Chem Lett 27: 187-190 (2017)

More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50209611
PNG
(CHEMBL3884950)
Show SMILES CN(Cc1ccccn1)c1ccc(cc1S(=O)(=O)N\N=C(/C)c1cnn2ccc(cc12)C#N)[N+]([O-])=O
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n/an/a 207n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant human p110beta/N-terminal His-tagged human p85alpha expressed in baculovirus infected sf cells using L-alpha-phosphatidylin...


Bioorg Med Chem Lett 27: 187-190 (2017)

More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50233666
PNG
(CHEMBL4097625)
PDB

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n/an/a 209n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM25082
PNG
(3-(2,4-diamino-pteridin-6-yl)-phenol | 3-(2,4-diam...)
Show SMILES Nc1nc(N)c2nc(cnc2n1)-c1cccc(O)c1
Show InChI InChI=1S/C12H10N6O/c13-10-9-11(18-12(14)17-10)15-5-8(16-9)6-2-1-3-7(19)4-6/h1-5,19H,(H4,13,14,15,17,18)
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n/an/a 215n/an/an/an/a7.422



TargeGen Inc.



Assay Description
The luminescence-based kinase assay with recombinant phosphatidylinositol 3-kinase (Upstate Cell Signaling Solutions) was used for the determination ...


Proc Natl Acad Sci U S A 103: 19866-71 (2006)

More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50209294
PNG
(CHEMBL3884860)
Show SMILES CN(\N=C\c1cnn2ccc(cc12)C#N)S(=O)(=O)c1cc(ccc1OCCN1CCOCC1)[N+]([O-])=O
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UniChem
Article
PubMed
n/an/a 220n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant human p110beta/N-terminal His-tagged human p85alpha expressed in baculovirus infected sf cells using L-alpha-phosphatidylin...


Bioorg Med Chem Lett 27: 187-190 (2017)

More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM259450
PNG
(US9512114, 9 | US9657007, Example 9)
Show SMILES C[C@H](Nc1ncnc(N)c1-c1nnc(C)o1)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1
Show InChI InChI=1/C24H20ClN7O2/c1-13(29-22-20(21(26)27-12-28-22)23-31-30-14(2)34-23)18-11-15-7-6-10-17(25)19(15)24(33)32(18)16-8-4-3-5-9-16/h3-13H,1-2H3,(H3,26,27,28,29)/t13-/s2
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US Patent
n/an/a 226n/an/an/an/an/a25



CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
PI3K (p1103/p85α) (h) is incubated in assay buffer containing 10 μM phosphatidylinositol-4, 5-bisphosphate and MgATP (concentration as requ...


Citation and Details
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50209605
PNG
(CHEMBL3884071)
Show SMILES CN(C)CCN(C)c1ccc(cc1C(=O)N(C)\N=C\c1cnn2ccc(cc12)C#N)[N+]([O-])=O
PDB

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UniChem
Article
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n/an/a 230n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant human p110beta/N-terminal His-tagged human p85alpha expressed in baculovirus infected sf cells using L-alpha-phosphatidylin...


Bioorg Med Chem Lett 27: 187-190 (2017)

More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM259446
PNG
(US9512114, 5 | US9657007, Example 5)
Show SMILES CC[C@H](Nc1ncnc(N)c1-c1nnc(C)o1)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1
Show InChI InChI=1/C25H22ClN7O2/c1-3-18(30-23-21(22(27)28-13-29-23)24-32-31-14(2)35-24)19-12-15-8-7-11-17(26)20(15)25(34)33(19)16-9-5-4-6-10-16/h4-13,18H,3H2,1-2H3,(H3,27,28,29,30)/t18-/s2
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US Patent
n/an/a 259n/an/an/an/an/a25



CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
PI3K (p1103/p85α) (h) is incubated in assay buffer containing 10 μM phosphatidylinositol-4, 5-bisphosphate and MgATP (concentration as requ...


Citation and Details
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50435584
PNG
(CHEMBL2393146)
Show SMILES OC(=O)COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C21H23F2N7O5/c22-17(23)18-24-16-13(2-1-3-14(16)35-12-15(31)32)30(18)21-26-19(28-4-8-33-9-5-28)25-20(27-21)29-6-10-34-11-7-29/h1-3,17H,4-12H2,(H,31,32)
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UniChem
Article
PubMed
n/an/a 274n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3K p110beta/p85alpha (unknown origin) using phosphotidylinositol as susbstrate after 1 hr by thin layer paper chromatogra...


Eur J Med Chem 64: 137-47 (2013)

More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50209612
PNG
(CHEMBL3885111)
Show SMILES CCN(CC)CCN(C)c1ccc(cc1S(=O)(=O)N(C)\N=C\c1cnn2ccc(cc12)C#N)[N+]([O-])=O
PDB

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MMDB
PC cid
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UniChem
Article
PubMed
n/an/a 330n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant human p110beta/N-terminal His-tagged human p85alpha expressed in baculovirus infected sf cells using L-alpha-phosphatidylin...


Bioorg Med Chem Lett 27: 187-190 (2017)

More data for this
Ligand-Target Pair
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