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Patent code US9675616

Compile Data Set for Download or QSAR
Found 13 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
p110α/p85α


(Homo sapiens (human)-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=1S/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-/m0/s1
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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 mL 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)-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=1S/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+/m0/s1
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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
p110α/p85α


(Homo sapiens (human)-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=1S/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<10n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 mL 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
p110α/p85α


(Homo sapiens (human)-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=1S/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?/m0/s1
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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 mL 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
p110α/p85α


(Homo sapiens (human)-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=1S/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+/m0/s1
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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 mL 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)-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=1S/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?/m0/s1
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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)-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=1S/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-/m0/s1
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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
p110α/p85α


(Homo sapiens (human)-Homo sapiens (Human))
BDBM139724
PNG
(US8895549, 4 | US9675616, 4 N-[8-({(2R)-3-[(2R,6S)...)
Show SMILES COc1c(OC[C@H](O)CN2C[C@H](C)O[C@H](C)C2)ccc2C3=NCCN3C(NC(=O)c3cccnc3)=Nc12
Show InChI InChI=1S/C26H32N6O5/c1-16-12-31(13-17(2)37-16)14-19(33)15-36-21-7-6-20-22(23(21)35-3)29-26(32-10-9-28-24(20)32)30-25(34)18-5-4-8-27-11-18/h4-8,11,16-17,19,33H,9-10,12-15H2,1-3H3,(H,29,30,34)/t16-,17+,19-/m1/s1
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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 mL 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
p110α/p85α


(Homo sapiens (human)-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=1S/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-/m1/s1
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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 mL 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)-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=1S/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-/m1/s1
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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
p110α/p85α


(Homo sapiens (human)-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=1S/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-/m0/s1
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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 mL 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)-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=1S/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)-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=1S/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-/m0/s1
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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
* indicates data uncertainty>20%