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Compile Data Set for Download or QSAR

Found 136 hits with Last Name = 'yahiaoui' and Initial = 'a'   
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
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50501402
PNG
(CHEMBL4071605)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cc[nH]n1 |r|
Show InChI InChI=1S/C18H15ClN10O/c1-8(24-15-9(7-20)14(21)26-18(22)27-15)16-25-11-4-2-3-10(19)13(11)17(30)29(16)12-5-6-23-28-12/h2-6,8H,1H3,(H,23,28)(H5,21,22,24,26,27)/t8-/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full length PI3K p110delta/p85 alpha using PIP2/ATP as substrate after 30 mins by TR-FRET assay


J Med Chem 60: 1555-1567 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01821
BindingDB Entry DOI: 10.7270/Q2BV7KNJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50501399
PNG
(CHEMBL4100135)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1ccc(O)cc1 |r|
Show InChI InChI=1S/C21H16ClN7O2/c1-11(27-19-14(9-23)18(24)25-10-26-19)20-28-16-4-2-3-15(22)17(16)21(31)29(20)12-5-7-13(30)8-6-12/h2-8,10-11,30H,1H3,(H3,24,25,26,27)/t11-/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full length PI3K p110delta/p85 alpha using PIP2/ATP as substrate after 30 mins by TR-FRET assay


J Med Chem 60: 1555-1567 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01821
BindingDB Entry DOI: 10.7270/Q2BV7KNJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50168484
PNG
(CHEMBL3805137 | US9765060, Compound Y)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C21H16ClN7O/c1-12(27-19-14(10-23)18(24)25-11-26-19)20-28-16-9-5-8-15(22)17(16)21(30)29(20)13-6-3-2-4-7-13/h2-9,11-12H,1H3,(H3,24,25,26,27)/t12-/m0/s1
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Article
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n/an/a 0.340n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full length PI3K p110delta/p85 alpha using PIP2/ATP as substrate after 30 mins by TR-FRET assay


J Med Chem 60: 1555-1567 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01821
BindingDB Entry DOI: 10.7270/Q2BV7KNJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50501403
PNG
(CHEMBL4084645)
Show SMILES Nc1nc(N)c(C#N)c(N[C@@H](C2CC2)c2nc3cccc(Cl)c3c(=O)n2-c2cc[nH]n2)n1 |r|
Show InChI InChI=1S/C20H17ClN10O/c21-11-2-1-3-12-14(11)19(32)31(13-6-7-25-30-13)18(26-12)15(9-4-5-9)27-17-10(8-22)16(23)28-20(24)29-17/h1-3,6-7,9,15H,4-5H2,(H,25,30)(H5,23,24,27,28,29)/t15-/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full length PI3K p110delta/p85 alpha using PIP2/ATP as substrate after 30 mins by TR-FRET assay


J Med Chem 60: 1555-1567 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01821
BindingDB Entry DOI: 10.7270/Q2BV7KNJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50501400
PNG
(CHEMBL4082130)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cc[nH]n1 |r|
Show InChI InChI=1S/C18H14ClN9O/c1-9(25-16-10(7-20)15(21)22-8-23-16)17-26-12-4-2-3-11(19)14(12)18(29)28(17)13-5-6-24-27-13/h2-6,8-9H,1H3,(H,24,27)(H3,21,22,23,25)/t9-/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full length PI3K p110delta/p85 alpha using PIP2/ATP as substrate after 30 mins by TR-FRET assay


J Med Chem 60: 1555-1567 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01821
BindingDB Entry DOI: 10.7270/Q2BV7KNJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50501408
PNG
(CHEMBL4081433)
Show SMILES Nc1nc(N)c(C#N)c(N[C@@H](C2CC2)c2nc3c(Cl)cc(F)cc3c(=O)n2-c2cc[nH]n2)n1 |r|
Show InChI InChI=1S/C20H16ClFN10O/c21-12-6-9(22)5-10-15(12)28-18(32(19(10)33)13-3-4-26-31-13)14(8-1-2-8)27-17-11(7-23)16(24)29-20(25)30-17/h3-6,8,14H,1-2H2,(H,26,31)(H5,24,25,27,29,30)/t14-/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full length PI3K p110delta/p85 alpha using PIP2/ATP as substrate after 30 mins by TR-FRET assay


J Med Chem 60: 1555-1567 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01821
BindingDB Entry DOI: 10.7270/Q2BV7KNJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50501402
PNG
(CHEMBL4071605)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cc[nH]n1 |r|
Show InChI InChI=1S/C18H15ClN10O/c1-8(24-15-9(7-20)14(21)26-18(22)27-15)16-25-11-4-2-3-10(19)13(11)17(30)29(16)12-5-6-23-28-12/h2-6,8H,1H3,(H,23,28)(H5,21,22,24,26,27)/t8-/m0/s1
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n/an/a 0.700n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged recombinant full-length human PI3K p110beta/untagged recombinant full length human p85alpha expressed in baculov...


J Med Chem 60: 1555-1567 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01821
BindingDB Entry DOI: 10.7270/Q2BV7KNJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50501408
PNG
(CHEMBL4081433)
Show SMILES Nc1nc(N)c(C#N)c(N[C@@H](C2CC2)c2nc3c(Cl)cc(F)cc3c(=O)n2-c2cc[nH]n2)n1 |r|
Show InChI InChI=1S/C20H16ClFN10O/c21-12-6-9(22)5-10-15(12)28-18(32(19(10)33)13-3-4-26-31-13)14(8-1-2-8)27-17-11(7-23)16(24)29-20(25)30-17/h3-6,8,14H,1-2H2,(H,26,31)(H5,24,25,27,29,30)/t14-/m0/s1
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n/an/a 0.700n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged recombinant full-length human PI3K p110beta/untagged recombinant full length human p85alpha expressed in baculov...


J Med Chem 60: 1555-1567 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01821
BindingDB Entry DOI: 10.7270/Q2BV7KNJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50501399
PNG
(CHEMBL4100135)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1ccc(O)cc1 |r|
Show InChI InChI=1S/C21H16ClN7O2/c1-11(27-19-14(9-23)18(24)25-10-26-19)20-28-16-4-2-3-15(22)17(16)21(31)29(20)12-5-7-13(30)8-6-12/h2-8,10-11,30H,1H3,(H3,24,25,26,27)/t11-/m0/s1
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n/an/a 0.700n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged recombinant full-length human PI3K p110beta/untagged recombinant full length human p85alpha expressed in baculov...


J Med Chem 60: 1555-1567 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01821
BindingDB Entry DOI: 10.7270/Q2BV7KNJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50501411
PNG
(CHEMBL4068742)
Show SMILES Cc1nc(N)nc(N[C@@H](C2CC2)c2nc3cccc(Cl)c3c(=O)n2-c2cc[nH]n2)c1C#N |r|
Show InChI InChI=1S/C21H18ClN9O/c1-10-12(9-23)18(29-21(24)26-10)28-17(11-5-6-11)19-27-14-4-2-3-13(22)16(14)20(32)31(19)15-7-8-25-30-15/h2-4,7-8,11,17H,5-6H2,1H3,(H,25,30)(H3,24,26,28,29)/t17-/m0/s1
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Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full length PI3K p110delta/p85 alpha using PIP2/ATP as substrate after 30 mins by TR-FRET assay


J Med Chem 60: 1555-1567 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01821
BindingDB Entry DOI: 10.7270/Q2BV7KNJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50501403
PNG
(CHEMBL4084645)
Show SMILES Nc1nc(N)c(C#N)c(N[C@@H](C2CC2)c2nc3cccc(Cl)c3c(=O)n2-c2cc[nH]n2)n1 |r|
Show InChI InChI=1S/C20H17ClN10O/c21-11-2-1-3-12-14(11)19(32)31(13-6-7-25-30-13)18(26-12)15(9-4-5-9)27-17-10(8-22)16(23)28-20(24)29-17/h1-3,6-7,9,15H,4-5H2,(H,25,30)(H5,23,24,27,28,29)/t15-/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged recombinant full-length human PI3K p110beta/untagged recombinant full length human p85alpha expressed in baculov...


J Med Chem 60: 1555-1567 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01821
BindingDB Entry DOI: 10.7270/Q2BV7KNJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50501411
PNG
(CHEMBL4068742)
Show SMILES Cc1nc(N)nc(N[C@@H](C2CC2)c2nc3cccc(Cl)c3c(=O)n2-c2cc[nH]n2)c1C#N |r|
Show InChI InChI=1S/C21H18ClN9O/c1-10-12(9-23)18(29-21(24)26-10)28-17(11-5-6-11)19-27-14-4-2-3-13(22)16(14)20(32)31(19)15-7-8-25-30-15/h2-4,7-8,11,17H,5-6H2,1H3,(H,25,30)(H3,24,26,28,29)/t17-/m0/s1
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n/an/a 1.70n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged recombinant full-length human PI3K p110beta/untagged recombinant full length human p85alpha expressed in baculov...


J Med Chem 60: 1555-1567 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01821
BindingDB Entry DOI: 10.7270/Q2BV7KNJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50501407
PNG
(CHEMBL4059461)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2cccc(Cl)c2c(=O)n1-c1ccon1 |r|
Show InChI InChI=1S/C17H14Cl2N8O2/c1-7(22-14-12(19)13(20)24-17(21)25-14)15-23-9-4-2-3-8(18)11(9)16(28)27(15)10-5-6-29-26-10/h2-7H,1H3,(H5,20,21,22,24,25)/t7-/m0/s1
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n/an/a 1.90n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full length PI3K p110delta/p85 alpha using PIP2/ATP as substrate after 30 mins by TR-FRET assay


J Med Chem 60: 1555-1567 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01821
BindingDB Entry DOI: 10.7270/Q2BV7KNJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50501405
PNG
(CHEMBL4074361)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2cccc(Cl)c2c(=O)n1-c1cc[nH]n1 |r|
Show InChI InChI=1S/C17H15Cl2N9O/c1-7(23-14-12(19)13(20)25-17(21)26-14)15-24-9-4-2-3-8(18)11(9)16(29)28(15)10-5-6-22-27-10/h2-7H,1H3,(H,22,27)(H5,20,21,23,25,26)/t7-/m0/s1
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n/an/a 2.10n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full length PI3K p110delta/p85 alpha using PIP2/ATP as substrate after 30 mins by TR-FRET assay


J Med Chem 60: 1555-1567 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01821
BindingDB Entry DOI: 10.7270/Q2BV7KNJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50501405
PNG
(CHEMBL4074361)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2cccc(Cl)c2c(=O)n1-c1cc[nH]n1 |r|
Show InChI InChI=1S/C17H15Cl2N9O/c1-7(23-14-12(19)13(20)25-17(21)26-14)15-24-9-4-2-3-8(18)11(9)16(29)28(15)10-5-6-22-27-10/h2-7H,1H3,(H,22,27)(H5,20,21,23,25,26)/t7-/m0/s1
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n/an/a 2.10n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged recombinant full-length human PI3K p110beta/untagged recombinant full length human p85alpha expressed in baculov...


J Med Chem 60: 1555-1567 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01821
BindingDB Entry DOI: 10.7270/Q2BV7KNJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50501400
PNG
(CHEMBL4082130)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cc[nH]n1 |r|
Show InChI InChI=1S/C18H14ClN9O/c1-9(25-16-10(7-20)15(21)22-8-23-16)17-26-12-4-2-3-11(19)14(12)18(29)28(17)13-5-6-24-27-13/h2-6,8-9H,1H3,(H,24,27)(H3,21,22,23,25)/t9-/m0/s1
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n/an/a 2.5n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged recombinant full-length human PI3K p110beta/untagged recombinant full length human p85alpha expressed in baculov...


J Med Chem 60: 1555-1567 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01821
BindingDB Entry DOI: 10.7270/Q2BV7KNJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50501415
PNG
(CHEMBL4085918)
Show SMILES C[C@H](Nc1nc(N)nc(C(F)F)c1C#N)c1nc2c(Cl)cc(F)cc2c(=O)n1-c1cc[nH]n1 |r|
Show InChI InChI=1S/C19H13ClF3N9O/c1-7(27-16-10(6-24)14(15(22)23)29-19(25)30-16)17-28-13-9(4-8(21)5-11(13)20)18(33)32(17)12-2-3-26-31-12/h2-5,7,15H,1H3,(H,26,31)(H3,25,27,29,30)/t7-/m0/s1
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n/an/a 2.60n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged recombinant full-length human PI3K p110beta/untagged recombinant full length human p85alpha expressed in baculov...


J Med Chem 60: 1555-1567 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01821
BindingDB Entry DOI: 10.7270/Q2BV7KNJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50501409
PNG
(CHEMBL4061937)
Show SMILES CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(F)c2c(=O)n1-c1ccc(O)cc1 |r|
Show InChI InChI=1S/C22H18FN7O2/c1-2-15(28-20-18-19(25-10-24-18)26-11-27-20)21-29-16-5-3-4-14(23)17(16)22(32)30(21)12-6-8-13(31)9-7-12/h3-11,15,31H,2H2,1H3,(H2,24,25,26,27,28)/t15-/m0/s1
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Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged recombinant full-length human PI3K p110beta/untagged recombinant full length human p85alpha expressed in baculov...


J Med Chem 60: 1555-1567 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01821
BindingDB Entry DOI: 10.7270/Q2BV7KNJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50501424
PNG
(CHEMBL4088324)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2c(F)cc(F)cc2c(=O)n1-c1cc[nH]n1 |r|
Show InChI InChI=1S/C17H14ClF2N9O/c1-6(24-14-11(18)13(21)26-17(22)27-14)15-25-12-8(4-7(19)5-9(12)20)16(30)29(15)10-2-3-23-28-10/h2-6H,1H3,(H,23,28)(H5,21,22,24,26,27)/t6-/m0/s1
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Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full length PI3K p110delta/p85 alpha using PIP2/ATP as substrate after 30 mins by TR-FRET assay


J Med Chem 60: 1555-1567 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01821
BindingDB Entry DOI: 10.7270/Q2BV7KNJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50501401
PNG
(CHEMBL4092381)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cn[nH]c1 |r|
Show InChI InChI=1S/C18H14ClN9O/c1-9(26-16-11(5-20)15(21)22-8-23-16)17-27-13-4-2-3-12(19)14(13)18(29)28(17)10-6-24-25-7-10/h2-4,6-9H,1H3,(H,24,25)(H3,21,22,23,26)/t9-/m0/s1
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Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full length PI3K p110delta/p85 alpha using PIP2/ATP as substrate after 30 mins by TR-FRET assay


J Med Chem 60: 1555-1567 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01821
BindingDB Entry DOI: 10.7270/Q2BV7KNJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50501415
PNG
(CHEMBL4085918)
Show SMILES C[C@H](Nc1nc(N)nc(C(F)F)c1C#N)c1nc2c(Cl)cc(F)cc2c(=O)n1-c1cc[nH]n1 |r|
Show InChI InChI=1S/C19H13ClF3N9O/c1-7(27-16-10(6-24)14(15(22)23)29-19(25)30-16)17-28-13-9(4-8(21)5-11(13)20)18(33)32(17)12-2-3-26-31-12/h2-5,7,15H,1H3,(H,26,31)(H3,25,27,29,30)/t7-/m0/s1
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Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full length PI3K p110delta/p85 alpha using PIP2/ATP as substrate after 30 mins by TR-FRET assay


J Med Chem 60: 1555-1567 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01821
BindingDB Entry DOI: 10.7270/Q2BV7KNJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50501416
PNG
(CHEMBL4102306)
Show SMILES Nc1nc(N[C@@H](C2CC2)c2nc3c(Cl)cc(F)cc3c(=O)n2-c2cc[nH]n2)c(C#N)c(n1)C(F)F |r|
Show InChI InChI=1S/C21H15ClF3N9O/c22-12-6-9(23)5-10-15(12)30-19(34(20(10)35)13-3-4-28-33-13)14(8-1-2-8)29-18-11(7-26)16(17(24)25)31-21(27)32-18/h3-6,8,14,17H,1-2H2,(H,28,33)(H3,27,29,31,32)/t14-/m0/s1
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Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged recombinant full-length human PI3K p110beta/untagged recombinant full length human p85alpha expressed in baculov...


J Med Chem 60: 1555-1567 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01821
BindingDB Entry DOI: 10.7270/Q2BV7KNJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50501412
PNG
(CHEMBL4096052)
Show SMILES Nc1nc(Cl)c(C#N)c(N[C@@H](C2CC2)c2nc3cccc(Cl)c3c(=O)n2-c2cc[nH]n2)n1 |r|
Show InChI InChI=1S/C20H15Cl2N9O/c21-11-2-1-3-12-14(11)19(32)31(13-6-7-25-30-13)18(26-12)15(9-4-5-9)27-17-10(8-23)16(22)28-20(24)29-17/h1-3,6-7,9,15H,4-5H2,(H,25,30)(H3,24,27,28,29)/t15-/m0/s1
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Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged recombinant full-length human PI3K p110beta/untagged recombinant full length human p85alpha expressed in baculov...


J Med Chem 60: 1555-1567 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01821
BindingDB Entry DOI: 10.7270/Q2BV7KNJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50501410
PNG
(CHEMBL4101102)
Show SMILES Nc1nc(N)c(Cl)c(N[C@@H](C2CC2)c2nc3cccc(Cl)c3c(=O)n2-c2cc[nH]n2)n1 |r|
Show InChI InChI=1S/C19H17Cl2N9O/c20-9-2-1-3-10-12(9)18(31)30(11-6-7-24-29-11)17(25-10)14(8-4-5-8)26-16-13(21)15(22)27-19(23)28-16/h1-3,6-8,14H,4-5H2,(H,24,29)(H5,22,23,26,27,28)/t14-/m0/s1
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Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full length PI3K p110delta/p85 alpha using PIP2/ATP as substrate after 30 mins by TR-FRET assay


J Med Chem 60: 1555-1567 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01821
BindingDB Entry DOI: 10.7270/Q2BV7KNJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50501398
PNG
(CHEMBL4082978)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2c(Cl)cc(F)cc2c(=O)n1-c1cc[nH]n1 |r|
Show InChI InChI=1S/C17H14Cl2FN9O/c1-6(24-14-11(19)13(21)26-17(22)27-14)15-25-12-8(4-7(20)5-9(12)18)16(30)29(15)10-2-3-23-28-10/h2-6H,1H3,(H,23,28)(H5,21,22,24,26,27)/t6-/m0/s1
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Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full length PI3K p110delta/p85 alpha using PIP2/ATP as substrate after 30 mins by TR-FRET assay


J Med Chem 60: 1555-1567 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01821
BindingDB Entry DOI: 10.7270/Q2BV7KNJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50501412
PNG
(CHEMBL4096052)
Show SMILES Nc1nc(Cl)c(C#N)c(N[C@@H](C2CC2)c2nc3cccc(Cl)c3c(=O)n2-c2cc[nH]n2)n1 |r|
Show InChI InChI=1S/C20H15Cl2N9O/c21-11-2-1-3-12-14(11)19(32)31(13-6-7-25-30-13)18(26-12)15(9-4-5-9)27-17-10(8-23)16(22)28-20(24)29-17/h1-3,6-7,9,15H,4-5H2,(H,25,30)(H3,24,27,28,29)/t15-/m0/s1
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Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full length PI3K p110delta/p85 alpha using PIP2/ATP as substrate after 30 mins by TR-FRET assay


J Med Chem 60: 1555-1567 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01821
BindingDB Entry DOI: 10.7270/Q2BV7KNJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50501422
PNG
(CHEMBL4064384)
Show SMILES C[C@H](Nc1nc(N)nc(C(F)F)c1C#N)c1nc2c(F)cc(F)cc2c(=O)n1-c1cc[nH]n1 |r|
Show InChI InChI=1S/C19H13F4N9O/c1-7(27-16-10(6-24)14(15(22)23)29-19(25)30-16)17-28-13-9(4-8(20)5-11(13)21)18(33)32(17)12-2-3-26-31-12/h2-5,7,15H,1H3,(H,26,31)(H3,25,27,29,30)/t7-/m0/s1
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Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full length PI3K p110delta/p85 alpha using PIP2/ATP as substrate after 30 mins by TR-FRET assay


J Med Chem 60: 1555-1567 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01821
BindingDB Entry DOI: 10.7270/Q2BV7KNJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50501416
PNG
(CHEMBL4102306)
Show SMILES Nc1nc(N[C@@H](C2CC2)c2nc3c(Cl)cc(F)cc3c(=O)n2-c2cc[nH]n2)c(C#N)c(n1)C(F)F |r|
Show InChI InChI=1S/C21H15ClF3N9O/c22-12-6-9(23)5-10-15(12)30-19(34(20(10)35)13-3-4-28-33-13)14(8-1-2-8)29-18-11(7-26)16(17(24)25)31-21(27)32-18/h3-6,8,14,17H,1-2H2,(H,28,33)(H3,27,29,31,32)/t14-/m0/s1
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Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full length PI3K p110delta/p85 alpha using PIP2/ATP as substrate after 30 mins by TR-FRET assay


J Med Chem 60: 1555-1567 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01821
BindingDB Entry DOI: 10.7270/Q2BV7KNJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50501398
PNG
(CHEMBL4082978)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2c(Cl)cc(F)cc2c(=O)n1-c1cc[nH]n1 |r|
Show InChI InChI=1S/C17H14Cl2FN9O/c1-6(24-14-11(19)13(21)26-17(22)27-14)15-25-12-8(4-7(20)5-9(12)18)16(30)29(15)10-2-3-23-28-10/h2-6H,1H3,(H,23,28)(H5,21,22,24,26,27)/t6-/m0/s1
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Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged recombinant full-length human PI3K p110beta/untagged recombinant full length human p85alpha expressed in baculov...


J Med Chem 60: 1555-1567 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01821
BindingDB Entry DOI: 10.7270/Q2BV7KNJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50501410
PNG
(CHEMBL4101102)
Show SMILES Nc1nc(N)c(Cl)c(N[C@@H](C2CC2)c2nc3cccc(Cl)c3c(=O)n2-c2cc[nH]n2)n1 |r|
Show InChI InChI=1S/C19H17Cl2N9O/c20-9-2-1-3-10-12(9)18(31)30(11-6-7-24-29-11)17(25-10)14(8-4-5-8)26-16-13(21)15(22)27-19(23)28-16/h1-3,6-8,14H,4-5H2,(H,24,29)(H5,22,23,26,27,28)/t14-/m0/s1
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Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged recombinant full-length human PI3K p110beta/untagged recombinant full length human p85alpha expressed in baculov...


J Med Chem 60: 1555-1567 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01821
BindingDB Entry DOI: 10.7270/Q2BV7KNJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50501413
PNG
(CHEMBL4079545)
Show SMILES Nc1nc(N[C@@H](C2CC2)c2nc3cccc(Cl)c3c(=O)n2-c2cc[nH]n2)c(C#N)c(n1)C(F)F |r|
Show InChI InChI=1S/C21H16ClF2N9O/c22-11-2-1-3-12-14(11)20(34)33(13-6-7-27-32-13)19(28-12)15(9-4-5-9)29-18-10(8-25)16(17(23)24)30-21(26)31-18/h1-3,6-7,9,15,17H,4-5H2,(H,27,32)(H3,26,29,30,31)/t15-/m0/s1
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Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged recombinant full-length human PI3K p110beta/untagged recombinant full length human p85alpha expressed in baculov...


J Med Chem 60: 1555-1567 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01821
BindingDB Entry DOI: 10.7270/Q2BV7KNJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50501421
PNG
(CHEMBL4100094)
Show SMILES C[C@H](Nc1nc(N)nc(C(F)F)c1C#N)c1nc2c(F)cccc2c(=O)n1-c1cc[nH]n1 |r|
Show InChI InChI=1S/C19H14F3N9O/c1-8(26-16-10(7-23)14(15(21)22)28-19(24)29-16)17-27-13-9(3-2-4-11(13)20)18(32)31(17)12-5-6-25-30-12/h2-6,8,15H,1H3,(H,25,30)(H3,24,26,28,29)/t8-/m0/s1
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Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full length PI3K p110delta/p85 alpha using PIP2/ATP as substrate after 30 mins by TR-FRET assay


J Med Chem 60: 1555-1567 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01821
BindingDB Entry DOI: 10.7270/Q2BV7KNJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50501426
PNG
(CHEMBL4080464)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2ccc(F)cc2c(=O)n1-c1cc[nH]n1 |r|
Show InChI InChI=1S/C17H15ClFN9O/c1-7(23-14-12(18)13(20)25-17(21)26-14)15-24-10-3-2-8(19)6-9(10)16(29)28(15)11-4-5-22-27-11/h2-7H,1H3,(H,22,27)(H5,20,21,23,25,26)/t7-/m0/s1
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Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full length PI3K p110delta/p85 alpha using PIP2/ATP as substrate after 30 mins by TR-FRET assay


J Med Chem 60: 1555-1567 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01821
BindingDB Entry DOI: 10.7270/Q2BV7KNJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50501423
PNG
(CHEMBL4060084)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2c(F)cccc2c(=O)n1-c1cc[nH]n1 |r|
Show InChI InChI=1S/C17H15ClFN9O/c1-7(23-14-11(18)13(20)25-17(21)26-14)15-24-12-8(3-2-4-9(12)19)16(29)28(15)10-5-6-22-27-10/h2-7H,1H3,(H,22,27)(H5,20,21,23,25,26)/t7-/m0/s1
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Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full length PI3K p110delta/p85 alpha using PIP2/ATP as substrate after 30 mins by TR-FRET assay


J Med Chem 60: 1555-1567 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01821
BindingDB Entry DOI: 10.7270/Q2BV7KNJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50501413
PNG
(CHEMBL4079545)
Show SMILES Nc1nc(N[C@@H](C2CC2)c2nc3cccc(Cl)c3c(=O)n2-c2cc[nH]n2)c(C#N)c(n1)C(F)F |r|
Show InChI InChI=1S/C21H16ClF2N9O/c22-11-2-1-3-12-14(11)20(34)33(13-6-7-27-32-13)19(28-12)15(9-4-5-9)29-18-10(8-25)16(17(23)24)30-21(26)31-18/h1-3,6-7,9,15,17H,4-5H2,(H,27,32)(H3,26,29,30,31)/t15-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full length PI3K p110delta/p85 alpha using PIP2/ATP as substrate after 30 mins by TR-FRET assay


J Med Chem 60: 1555-1567 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01821
BindingDB Entry DOI: 10.7270/Q2BV7KNJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50501406
PNG
(CHEMBL4078045)
Show SMILES CC[C@H](Nc1nc(N)nc(C(F)F)c1C#N)c1nc2c(Cl)cc(F)cc2c(=O)n1-c1cc[nH]n1 |r|
Show InChI InChI=1S/C20H15ClF3N9O/c1-2-12(28-17-10(7-25)15(16(23)24)30-20(26)31-17)18-29-14-9(5-8(22)6-11(14)21)19(34)33(18)13-3-4-27-32-13/h3-6,12,16H,2H2,1H3,(H,27,32)(H3,26,28,30,31)/t12-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full length PI3K p110delta/p85 alpha using PIP2/ATP as substrate after 30 mins by TR-FRET assay


J Med Chem 60: 1555-1567 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01821
BindingDB Entry DOI: 10.7270/Q2BV7KNJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50501401
PNG
(CHEMBL4092381)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cn[nH]c1 |r|
Show InChI InChI=1S/C18H14ClN9O/c1-9(26-16-11(5-20)15(21)22-8-23-16)17-27-13-4-2-3-12(19)14(13)18(29)28(17)10-6-24-25-7-10/h2-4,6-9H,1H3,(H,24,25)(H3,21,22,23,26)/t9-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged recombinant full-length human PI3K p110beta/untagged recombinant full length human p85alpha expressed in baculov...


J Med Chem 60: 1555-1567 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01821
BindingDB Entry DOI: 10.7270/Q2BV7KNJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50501409
PNG
(CHEMBL4061937)
Show SMILES CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(F)c2c(=O)n1-c1ccc(O)cc1 |r|
Show InChI InChI=1S/C22H18FN7O2/c1-2-15(28-20-18-19(25-10-24-18)26-11-27-20)21-29-16-5-3-4-14(23)17(16)22(32)30(21)12-6-8-13(31)9-7-12/h3-11,15,31H,2H2,1H3,(H2,24,25,26,27,28)/t15-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full length PI3K p110delta/p85 alpha using PIP2/ATP as substrate after 30 mins by TR-FRET assay


J Med Chem 60: 1555-1567 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01821
BindingDB Entry DOI: 10.7270/Q2BV7KNJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50501417
PNG
(CHEMBL4061095)
Show SMILES Nc1nc(N)c(Cl)c(N[C@@H](C2CC2)c2nc3c(Cl)cc(F)cc3c(=O)n2-c2cc[nH]n2)n1 |r|
Show InChI InChI=1S/C19H16Cl2FN9O/c20-10-6-8(22)5-9-14(10)27-17(31(18(9)32)11-3-4-25-30-11)13(7-1-2-7)26-16-12(21)15(23)28-19(24)29-16/h3-7,13H,1-2H2,(H,25,30)(H5,23,24,26,28,29)/t13-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full length PI3K p110delta/p85 alpha using PIP2/ATP as substrate after 30 mins by TR-FRET assay


J Med Chem 60: 1555-1567 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01821
BindingDB Entry DOI: 10.7270/Q2BV7KNJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50501422
PNG
(CHEMBL4064384)
Show SMILES C[C@H](Nc1nc(N)nc(C(F)F)c1C#N)c1nc2c(F)cc(F)cc2c(=O)n1-c1cc[nH]n1 |r|
Show InChI InChI=1S/C19H13F4N9O/c1-7(27-16-10(6-24)14(15(22)23)29-19(25)30-16)17-28-13-9(4-8(20)5-11(13)21)18(33)32(17)12-2-3-26-31-12/h2-5,7,15H,1H3,(H,26,31)(H3,25,27,29,30)/t7-/m0/s1
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Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged recombinant full-length human PI3K p110beta/untagged recombinant full length human p85alpha expressed in baculov...


J Med Chem 60: 1555-1567 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01821
BindingDB Entry DOI: 10.7270/Q2BV7KNJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50501406
PNG
(CHEMBL4078045)
Show SMILES CC[C@H](Nc1nc(N)nc(C(F)F)c1C#N)c1nc2c(Cl)cc(F)cc2c(=O)n1-c1cc[nH]n1 |r|
Show InChI InChI=1S/C20H15ClF3N9O/c1-2-12(28-17-10(7-25)15(16(23)24)30-20(26)31-17)18-29-14-9(5-8(22)6-11(14)21)19(34)33(18)13-3-4-27-32-13/h3-6,12,16H,2H2,1H3,(H,27,32)(H3,26,28,30,31)/t12-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged recombinant full-length human PI3K p110beta/untagged recombinant full length human p85alpha expressed in baculov...


J Med Chem 60: 1555-1567 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01821
BindingDB Entry DOI: 10.7270/Q2BV7KNJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50501424
PNG
(CHEMBL4088324)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2c(F)cc(F)cc2c(=O)n1-c1cc[nH]n1 |r|
Show InChI InChI=1S/C17H14ClF2N9O/c1-6(24-14-11(18)13(21)26-17(22)27-14)15-25-12-8(4-7(19)5-9(12)20)16(30)29(15)10-2-3-23-28-10/h2-6H,1H3,(H,23,28)(H5,21,22,24,26,27)/t6-/m0/s1
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n/an/a 17n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged recombinant full-length human PI3K p110beta/untagged recombinant full length human p85alpha expressed in baculov...


J Med Chem 60: 1555-1567 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01821
BindingDB Entry DOI: 10.7270/Q2BV7KNJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50403068
PNG
(CHEMBL2216870 | IDELALISIB | US9745321, CAL-101)
Show SMILES CC[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C22H18FN7O/c1-2-15(28-20-18-19(25-11-24-18)26-12-27-20)21-29-16-10-6-9-14(23)17(16)22(31)30(21)13-7-4-3-5-8-13/h3-12,15H,2H2,1H3,(H2,24,25,26,27,28)/t15-/m0/s1
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n/an/a 18n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full length PI3K p110delta/p85 alpha using PIP2/ATP as substrate after 30 mins by TR-FRET assay


J Med Chem 60: 1555-1567 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01821
BindingDB Entry DOI: 10.7270/Q2BV7KNJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50501425
PNG
(CHEMBL4098482)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2cccc(F)c2c(=O)n1-c1cc[nH]n1 |r|
Show InChI InChI=1S/C17H15ClFN9O/c1-7(23-14-12(18)13(20)25-17(21)26-14)15-24-9-4-2-3-8(19)11(9)16(29)28(15)10-5-6-22-27-10/h2-7H,1H3,(H,22,27)(H5,20,21,23,25,26)/t7-/m0/s1
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n/an/a 21n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full length PI3K p110delta/p85 alpha using PIP2/ATP as substrate after 30 mins by TR-FRET assay


J Med Chem 60: 1555-1567 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01821
BindingDB Entry DOI: 10.7270/Q2BV7KNJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50501402
PNG
(CHEMBL4071605)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cc[nH]n1 |r|
Show InChI InChI=1S/C18H15ClN10O/c1-8(24-15-9(7-20)14(21)26-18(22)27-15)16-25-11-4-2-3-10(19)13(11)17(30)29(16)12-5-6-23-28-12/h2-6,8H,1H3,(H,23,28)(H5,21,22,24,26,27)/t8-/m0/s1
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n/an/a 23n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full length PI3K p110alpha/p85 alpha using PIP2/ATP as substrate after 30 mins by TR-FRET assay


J Med Chem 60: 1555-1567 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01821
BindingDB Entry DOI: 10.7270/Q2BV7KNJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50501420
PNG
(CHEMBL4086842)
Show SMILES C[C@H](Nc1nc(N)nc(C(F)F)c1C#N)c1nc2ccc(F)cc2c(=O)n1-c1cc[nH]n1 |r|
Show InChI InChI=1S/C19H14F3N9O/c1-8(26-16-11(7-23)14(15(21)22)28-19(24)29-16)17-27-12-3-2-9(20)6-10(12)18(32)31(17)13-4-5-25-30-13/h2-6,8,15H,1H3,(H,25,30)(H3,24,26,28,29)/t8-/m0/s1
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n/an/a 26n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full length PI3K p110delta/p85 alpha using PIP2/ATP as substrate after 30 mins by TR-FRET assay


J Med Chem 60: 1555-1567 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01821
BindingDB Entry DOI: 10.7270/Q2BV7KNJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50501417
PNG
(CHEMBL4061095)
Show SMILES Nc1nc(N)c(Cl)c(N[C@@H](C2CC2)c2nc3c(Cl)cc(F)cc3c(=O)n2-c2cc[nH]n2)n1 |r|
Show InChI InChI=1S/C19H16Cl2FN9O/c20-10-6-8(22)5-9-14(10)27-17(31(18(9)32)11-3-4-25-30-11)13(7-1-2-7)26-16-12(21)15(23)28-19(24)29-16/h3-7,13H,1-2H2,(H,25,30)(H5,23,24,26,28,29)/t13-/m0/s1
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n/an/a 28n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged recombinant full-length human PI3K p110beta/untagged recombinant full length human p85alpha expressed in baculov...


J Med Chem 60: 1555-1567 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01821
BindingDB Entry DOI: 10.7270/Q2BV7KNJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50501421
PNG
(CHEMBL4100094)
Show SMILES C[C@H](Nc1nc(N)nc(C(F)F)c1C#N)c1nc2c(F)cccc2c(=O)n1-c1cc[nH]n1 |r|
Show InChI InChI=1S/C19H14F3N9O/c1-8(26-16-10(7-23)14(15(21)22)28-19(24)29-16)17-27-13-9(3-2-4-11(13)20)18(32)31(17)12-5-6-25-30-12/h2-6,8,15H,1H3,(H,25,30)(H3,24,26,28,29)/t8-/m0/s1
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n/an/a 29n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged recombinant full-length human PI3K p110beta/untagged recombinant full length human p85alpha expressed in baculov...


J Med Chem 60: 1555-1567 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01821
BindingDB Entry DOI: 10.7270/Q2BV7KNJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50501423
PNG
(CHEMBL4060084)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2c(F)cccc2c(=O)n1-c1cc[nH]n1 |r|
Show InChI InChI=1S/C17H15ClFN9O/c1-7(23-14-11(18)13(20)25-17(21)26-14)15-24-12-8(3-2-4-9(12)19)16(29)28(15)10-5-6-22-27-10/h2-7H,1H3,(H,22,27)(H5,20,21,23,25,26)/t7-/m0/s1
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n/an/a 34n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged recombinant full-length human PI3K p110beta/untagged recombinant full length human p85alpha expressed in baculov...


J Med Chem 60: 1555-1567 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01821
BindingDB Entry DOI: 10.7270/Q2BV7KNJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50501425
PNG
(CHEMBL4098482)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2cccc(F)c2c(=O)n1-c1cc[nH]n1 |r|
Show InChI InChI=1S/C17H15ClFN9O/c1-7(23-14-12(18)13(20)25-17(21)26-14)15-24-9-4-2-3-8(19)11(9)16(29)28(15)10-5-6-22-27-10/h2-7H,1H3,(H,22,27)(H5,20,21,23,25,26)/t7-/m0/s1
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n/an/a 35n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged recombinant full-length human PI3K p110beta/untagged recombinant full length human p85alpha expressed in baculov...


J Med Chem 60: 1555-1567 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01821
BindingDB Entry DOI: 10.7270/Q2BV7KNJ
More data for this
Ligand-Target Pair
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