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Compile Data Set for Download or QSAR

Found 41 hits with Last Name = 'zhang' and Initial = 'sq'   
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
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM50108116
PNG
(CHEMBL3601923)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1)-c1ccc2nc(NC(=O)NC3CC3)nn2c1
Show InChI InChI=1S/C22H20FN7O4S/c1-34-20-18(29-35(32,33)17-7-3-15(23)4-8-17)10-14(11-24-20)13-2-9-19-26-21(28-30(19)12-13)27-22(31)25-16-5-6-16/h2-4,7-12,16,29H,5-6H2,1H3,(H2,25,27,28,31)
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n/an/a 7n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) assessed as reduction of ATP level after 40 mins by luciferase based luminescence assay


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase subunit delta


(Homo sapiens (human))
BDBM50108117
PNG
(CHEMBL3601925)
Show SMILES CCN(CC)CCNC(=O)Nc1nc2ccc(cn2n1)-c1cnc(OC)c(NS(=O)(=O)c2ccc(F)cc2)c1
Show InChI InChI=1S/C25H29FN8O4S/c1-4-33(5-2)13-12-27-25(35)30-24-29-22-11-6-17(16-34(22)31-24)18-14-21(23(38-3)28-15-18)32-39(36,37)20-9-7-19(26)8-10-20/h6-11,14-16,32H,4-5,12-13H2,1-3H3,(H2,27,30,31,35)
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n/an/a 12n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) assessed as reduction of ATP level after 40 mins by luciferase based luminescence assay


Citation and Details
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (human)-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 13n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of p110alpha/p85alpha (unknown origin) incubated for 40 mins by luciferase based ATP depletion assay


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase subunit gamma


(Homo sapiens (human))
BDBM50108116
PNG
(CHEMBL3601923)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1)-c1ccc2nc(NC(=O)NC3CC3)nn2c1
Show InChI InChI=1S/C22H20FN7O4S/c1-34-20-18(29-35(32,33)17-7-3-15(23)4-8-17)10-14(11-24-20)13-2-9-19-26-21(28-30(19)12-13)27-22(31)25-16-5-6-16/h2-4,7-12,16,29H,5-6H2,1H3,(H2,25,27,28,31)
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n/an/a 14n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin) assessed as reduction of ATP level after 40 mins by luciferase based luminescence assay


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM50108117
PNG
(CHEMBL3601925)
Show SMILES CCN(CC)CCNC(=O)Nc1nc2ccc(cn2n1)-c1cnc(OC)c(NS(=O)(=O)c2ccc(F)cc2)c1
Show InChI InChI=1S/C25H29FN8O4S/c1-4-33(5-2)13-12-27-25(35)30-24-29-22-11-6-17(16-34(22)31-24)18-14-21(23(38-3)28-15-18)32-39(36,37)20-9-7-19(26)8-10-20/h6-11,14-16,32H,4-5,12-13H2,1-3H3,(H2,27,30,31,35)
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n/an/a 14n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) assessed as reduction of ATP level after 40 mins by luciferase based luminescence assay


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase subunit delta


(Homo sapiens (human))
BDBM50108116
PNG
(CHEMBL3601923)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1)-c1ccc2nc(NC(=O)NC3CC3)nn2c1
Show InChI InChI=1S/C22H20FN7O4S/c1-34-20-18(29-35(32,33)17-7-3-15(23)4-8-17)10-14(11-24-20)13-2-9-19-26-21(28-30(19)12-13)27-22(31)25-16-5-6-16/h2-4,7-12,16,29H,5-6H2,1H3,(H2,25,27,28,31)
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n/an/a 16n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) assessed as reduction of ATP level after 40 mins by luciferase based luminescence assay


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase subunit gamma


(Homo sapiens (human))
BDBM50108117
PNG
(CHEMBL3601925)
Show SMILES CCN(CC)CCNC(=O)Nc1nc2ccc(cn2n1)-c1cnc(OC)c(NS(=O)(=O)c2ccc(F)cc2)c1
Show InChI InChI=1S/C25H29FN8O4S/c1-4-33(5-2)13-12-27-25(35)30-24-29-22-11-6-17(16-34(22)31-24)18-14-21(23(38-3)28-15-18)32-39(36,37)20-9-7-19(26)8-10-20/h6-11,14-16,32H,4-5,12-13H2,1-3H3,(H2,27,30,31,35)
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n/an/a 22n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin) assessed as reduction of ATP level after 40 mins by luciferase based luminescence assay


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM50380363
PNG
(CHEMBL2017974)
Show SMILES Nc1cc(c(cn1)-c1cc(nc(n1)N1CCOCC1)N1CCOCC1)C(F)(F)F
Show InChI InChI=1S/C18H21F3N6O2/c19-18(20,21)13-9-15(22)23-11-12(13)14-10-16(26-1-5-28-6-2-26)25-17(24-14)27-3-7-29-8-4-27/h9-11H,1-8H2,(H2,22,23)
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n/an/a 30n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin)


Bioorg Med Chem Lett 25: 1730-5 (2015)

More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM50380363
PNG
(CHEMBL2017974)
Show SMILES Nc1cc(c(cn1)-c1cc(nc(n1)N1CCOCC1)N1CCOCC1)C(F)(F)F
Show InChI InChI=1S/C18H21F3N6O2/c19-18(20,21)13-9-15(22)23-11-12(13)14-10-16(26-1-5-28-6-2-26)25-17(24-14)27-3-7-29-8-4-27/h9-11H,1-8H2,(H2,22,23)
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n/an/a 30n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin)


Eur J Med Chem 96: 382-95 (2015)

More data for this
Ligand-Target Pair
PI3-kinase subunit beta


(Homo sapiens (human))
BDBM50108117
PNG
(CHEMBL3601925)
Show SMILES CCN(CC)CCNC(=O)Nc1nc2ccc(cn2n1)-c1cnc(OC)c(NS(=O)(=O)c2ccc(F)cc2)c1
Show InChI InChI=1S/C25H29FN8O4S/c1-4-33(5-2)13-12-27-25(35)30-24-29-22-11-6-17(16-34(22)31-24)18-14-21(23(38-3)28-15-18)32-39(36,37)20-9-7-19(26)8-10-20/h6-11,14-16,32H,4-5,12-13H2,1-3H3,(H2,27,30,31,35)
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n/an/a 41n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta (unknown origin) assessed as reduction of ATP level after 40 mins by luciferase based luminescence assay


Citation and Details
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(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 44n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of mTORC1 (unknown origin) incubated for 40 mins by luciferase based ATP depletion assay


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase subunit beta


(Homo sapiens (human))
BDBM50108116
PNG
(CHEMBL3601923)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1)-c1ccc2nc(NC(=O)NC3CC3)nn2c1
Show InChI InChI=1S/C22H20FN7O4S/c1-34-20-18(29-35(32,33)17-7-3-15(23)4-8-17)10-14(11-24-20)13-2-9-19-26-21(28-30(19)12-13)27-22(31)25-16-5-6-16/h2-4,7-12,16,29H,5-6H2,1H3,(H2,25,27,28,31)
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n/an/a 47n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta (unknown origin) assessed as reduction of ATP level after 40 mins by luciferase based luminescence assay


Citation and Details
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (human)-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 49n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of p110alpha/p85alpha (unknown origin) incubated for 40 mins by luciferase based ATP depletion assay


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(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 54n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) assessed as reduction of ATP level after 40 mins by luciferase based luminescence assay


Citation and Details
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(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 78n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of mTORC1 (unknown origin) incubated for 40 mins by luciferase based ATP depletion assay


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(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 89n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of mTOR (unknown origin) assessed as reduction of ATP level after 40 mins by luciferase based luminescence assay


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


(Homo sapiens (human)-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
PI3-kinase subunit gamma


(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 95n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin) assessed as reduction of ATP level after 40 mins by luciferase based luminescence assay


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50108117
PNG
(CHEMBL3601925)
Show SMILES CCN(CC)CCNC(=O)Nc1nc2ccc(cn2n1)-c1cnc(OC)c(NS(=O)(=O)c2ccc(F)cc2)c1
Show InChI InChI=1S/C25H29FN8O4S/c1-4-33(5-2)13-12-27-25(35)30-24-29-22-11-6-17(16-34(22)31-24)18-14-21(23(38-3)28-15-18)32-39(36,37)20-9-7-19(26)8-10-20/h6-11,14-16,32H,4-5,12-13H2,1-3H3,(H2,27,30,31,35)
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n/an/a 123n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of mTOR (unknown origin) assessed as reduction of ATP level after 40 mins by luciferase based luminescence assay


Citation and Details
More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (human)-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 138n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of p110delta/p85alpha (unknown origin) incubated for 40 mins by luciferase based ATP depletion assay


Citation and Details
More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (human)-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 148n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of p110delta/p85alpha (unknown origin) incubated for 40 mins by luciferase based ATP depletion assay


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase subunit delta


(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 164n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) assessed as reduction of ATP level after 40 mins by luciferase based luminescence assay


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50108116
PNG
(CHEMBL3601923)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1)-c1ccc2nc(NC(=O)NC3CC3)nn2c1
Show InChI InChI=1S/C22H20FN7O4S/c1-34-20-18(29-35(32,33)17-7-3-15(23)4-8-17)10-14(11-24-20)13-2-9-19-26-21(28-30(19)12-13)27-22(31)25-16-5-6-16/h2-4,7-12,16,29H,5-6H2,1H3,(H2,25,27,28,31)
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n/an/a 275n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of mTOR (unknown origin) assessed as reduction of ATP level after 40 mins by luciferase based luminescence assay


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase subunit beta


(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 399n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta (unknown origin) assessed as reduction of ATP level after 40 mins by luciferase based luminescence assay


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


(Homo sapiens (human)-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 478n/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
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM50387051
PNG
(CHEMBL2047029)
Show SMILES ONC(=O)CCCCCCOc1ccc(O)c(c1)C(=O)Nc1cccc(c1)C#C
Show InChI InChI=1S/C22H24N2O5/c1-2-16-8-7-9-17(14-16)23-22(27)19-15-18(11-12-20(19)25)29-13-6-4-3-5-10-21(26)24-28/h1,7-9,11-12,14-15,25,28H,3-6,10,13H2,(H,23,27)(H,24,26)
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n/an/a 900n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of EGFR derived from human A431 cell membrane assessed as inhibition of poly-Glu-Tyr phosphorylation after 30 mins by ELISA assay


Bioorg Med Chem 20: 4405-12 (2012)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM5447
PNG
(CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)
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n/an/a 1.08E+3n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of EGFR derived from human A431 cell membrane assessed as inhibition of poly-Glu-Tyr phosphorylation after 30 mins by ELISA assay


Bioorg Med Chem 20: 4405-12 (2012)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM50387045
PNG
(CHEMBL2047023)
Show SMILES ONC(=O)CCCCCC(=O)Nc1ccc(O)c(c1)C(=O)Nc1ccc(OCc2cccc(F)c2)c(Cl)c1
Show InChI InChI=1S/C27H27ClFN3O6/c28-22-15-20(10-12-24(22)38-16-17-5-4-6-18(29)13-17)31-27(36)21-14-19(9-11-23(21)33)30-25(34)7-2-1-3-8-26(35)32-37/h4-6,9-15,33,37H,1-3,7-8,16H2,(H,30,34)(H,31,36)(H,32,35)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of EGFR derived from human A431 cell membrane assessed as inhibition of poly-Glu-Tyr phosphorylation after 30 mins by ELISA assay


Bioorg Med Chem 20: 4405-12 (2012)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM50387048
PNG
(CHEMBL2047026)
Show SMILES COc1cc(O)c(cc1NC(=O)CCCCCC(=O)NO)C(=O)Nc1cccc(c1)C#C
Show InChI InChI=1S/C23H25N3O6/c1-3-15-8-7-9-16(12-15)24-23(30)17-13-18(20(32-2)14-19(17)27)25-21(28)10-5-4-6-11-22(29)26-31/h1,7-9,12-14,27,31H,4-6,10-11H2,2H3,(H,24,30)(H,25,28)(H,26,29)
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n/an/a 1.12E+3n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of EGFR derived from human A431 cell membrane assessed as inhibition of poly-Glu-Tyr phosphorylation after 30 mins by ELISA assay


Bioorg Med Chem 20: 4405-12 (2012)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM50387038
PNG
(CHEMBL2047016)
Show SMILES ONC(=O)CCCCCC(=O)Nc1ccc(O)c(c1)C(=O)Nc1cccc(F)c1
Show InChI InChI=1S/C20H22FN3O5/c21-13-5-4-6-14(11-13)23-20(28)16-12-15(9-10-17(16)25)22-18(26)7-2-1-3-8-19(27)24-29/h4-6,9-12,25,29H,1-3,7-8H2,(H,22,26)(H,23,28)(H,24,27)
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n/an/a 1.41E+3n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of EGFR derived from human A431 cell membrane assessed as inhibition of poly-Glu-Tyr phosphorylation after 30 mins by ELISA assay


Bioorg Med Chem 20: 4405-12 (2012)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM50387044
PNG
(CHEMBL2047022)
Show SMILES ONC(=O)CCCCCC(=O)Nc1ccc(O)c(c1)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H21ClF3N3O5/c22-16-8-6-13(11-15(16)21(23,24)25)27-20(32)14-10-12(7-9-17(14)29)26-18(30)4-2-1-3-5-19(31)28-33/h6-11,29,33H,1-5H2,(H,26,30)(H,27,32)(H,28,31)
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n/an/a 1.41E+3n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of EGFR derived from human A431 cell membrane assessed as inhibition of poly-Glu-Tyr phosphorylation after 30 mins by ELISA assay


Bioorg Med Chem 20: 4405-12 (2012)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM50387047
PNG
(CHEMBL2047025)
Show SMILES COc1cc(O)c(cc1NC(=O)CCCCCC(=O)NO)C(=O)Nc1ccc(F)c(Cl)c1
Show InChI InChI=1S/C21H23ClFN3O6/c1-32-18-11-17(27)13(21(30)24-12-7-8-15(23)14(22)9-12)10-16(18)25-19(28)5-3-2-4-6-20(29)26-31/h7-11,27,31H,2-6H2,1H3,(H,24,30)(H,25,28)(H,26,29)
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n/an/a 1.56E+3n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of EGFR derived from human A431 cell membrane assessed as inhibition of poly-Glu-Tyr phosphorylation after 30 mins by ELISA assay


Bioorg Med Chem 20: 4405-12 (2012)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM50387043
PNG
(CHEMBL2047021)
Show SMILES ONC(=O)CCCCCC(=O)Nc1ccc(O)c(c1)C(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H21Cl2N3O5/c21-15-8-6-13(11-16(15)22)24-20(29)14-10-12(7-9-17(14)26)23-18(27)4-2-1-3-5-19(28)25-30/h6-11,26,30H,1-5H2,(H,23,27)(H,24,29)(H,25,28)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of EGFR derived from human A431 cell membrane assessed as inhibition of poly-Glu-Tyr phosphorylation after 30 mins by ELISA assay


Bioorg Med Chem 20: 4405-12 (2012)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM50387039
PNG
(CHEMBL2047017)
Show SMILES ONC(=O)CCCCCC(=O)Nc1ccc(O)c(c1)C(=O)Nc1ccc(F)c(F)c1
Show InChI InChI=1S/C20H21F2N3O5/c21-15-8-6-13(11-16(15)22)24-20(29)14-10-12(7-9-17(14)26)23-18(27)4-2-1-3-5-19(28)25-30/h6-11,26,30H,1-5H2,(H,23,27)(H,24,29)(H,25,28)
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n/an/a 2.22E+3n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of EGFR derived from human A431 cell membrane assessed as inhibition of poly-Glu-Tyr phosphorylation after 30 mins by ELISA assay


Bioorg Med Chem 20: 4405-12 (2012)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM50387046
PNG
(CHEMBL2047024)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(O)c(c1)C(=O)Nc1cccc(c1)C#C
Show InChI InChI=1S/C23H25N3O5/c1-2-16-8-7-9-17(14-16)25-23(30)19-15-18(12-13-20(19)27)24-21(28)10-5-3-4-6-11-22(29)26-31/h1,7-9,12-15,27,31H,3-6,10-11H2,(H,24,28)(H,25,30)(H,26,29)
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n/an/a 2.25E+3n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of EGFR derived from human A431 cell membrane assessed as inhibition of poly-Glu-Tyr phosphorylation after 30 mins by ELISA assay


Bioorg Med Chem 20: 4405-12 (2012)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM50387037
PNG
(CHEMBL2047015)
Show SMILES ONC(=O)CCCCCC(=O)Nc1ccc(O)c(c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C20H23N3O5/c24-17-12-11-15(21-18(25)9-5-2-6-10-19(26)23-28)13-16(17)20(27)22-14-7-3-1-4-8-14/h1,3-4,7-8,11-13,24,28H,2,5-6,9-10H2,(H,21,25)(H,22,27)(H,23,26)
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n/an/a 2.34E+3n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of EGFR derived from human A431 cell membrane assessed as inhibition of poly-Glu-Tyr phosphorylation after 30 mins by ELISA assay


Bioorg Med Chem 20: 4405-12 (2012)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM50387042
PNG
(CHEMBL2047020)
Show SMILES ONC(=O)CCCCCC(=O)Nc1ccc(O)c(c1)C(=O)Nc1cccc(c1)C#C
Show InChI InChI=1S/C22H23N3O5/c1-2-15-7-6-8-16(13-15)24-22(29)18-14-17(11-12-19(18)26)23-20(27)9-4-3-5-10-21(28)25-30/h1,6-8,11-14,26,30H,3-5,9-10H2,(H,23,27)(H,24,29)(H,25,28)
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n/an/a 3.31E+3n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of EGFR derived from human A431 cell membrane assessed as inhibition of poly-Glu-Tyr phosphorylation after 30 mins by ELISA assay


Bioorg Med Chem 20: 4405-12 (2012)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM50387040
PNG
(CHEMBL2047018)
Show SMILES ONC(=O)CCCCCC(=O)Nc1ccc(O)c(c1)C(=O)Nc1ccc(F)c(Cl)c1
Show InChI InChI=1S/C20H21ClFN3O5/c21-15-11-13(6-8-16(15)22)24-20(29)14-10-12(7-9-17(14)26)23-18(27)4-2-1-3-5-19(28)25-30/h6-11,26,30H,1-5H2,(H,23,27)(H,24,29)(H,25,28)
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n/an/a 3.53E+3n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of EGFR derived from human A431 cell membrane assessed as inhibition of poly-Glu-Tyr phosphorylation after 30 mins by ELISA assay


Bioorg Med Chem 20: 4405-12 (2012)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM50387041
PNG
(CHEMBL2047019)
Show SMILES ONC(=O)CCCCCC(=O)Nc1ccc(O)c(c1)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C21H22F3N3O5/c22-21(23,24)13-5-4-6-14(11-13)26-20(31)16-12-15(9-10-17(16)28)25-18(29)7-2-1-3-8-19(30)27-32/h4-6,9-12,28,32H,1-3,7-8H2,(H,25,29)(H,26,31)(H,27,30)
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n/an/a 4.20E+3n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of EGFR derived from human A431 cell membrane assessed as inhibition of poly-Glu-Tyr phosphorylation after 30 mins by ELISA assay


Bioorg Med Chem 20: 4405-12 (2012)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM50387050
PNG
(CHEMBL2047028)
Show SMILES COc1ccc(NC(=O)CCCCCC(=O)NO)cc1C(=O)Nc1cccc(c1)C#C
Show InChI InChI=1S/C23H25N3O5/c1-3-16-8-7-9-17(14-16)25-23(29)19-15-18(12-13-20(19)31-2)24-21(27)10-5-4-6-11-22(28)26-30/h1,7-9,12-15,30H,4-6,10-11H2,2H3,(H,24,27)(H,25,29)(H,26,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.16E+3n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of EGFR derived from human A431 cell membrane assessed as inhibition of poly-Glu-Tyr phosphorylation after 30 mins by ELISA assay


Bioorg Med Chem 20: 4405-12 (2012)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM50387049
PNG
(CHEMBL2047027)
Show SMILES ONC(=O)CCCCCC(=O)Nc1cccc(c1)C(=O)Nc1cccc(c1)C#C
Show InChI InChI=1S/C22H23N3O4/c1-2-16-8-6-10-18(14-16)24-22(28)17-9-7-11-19(15-17)23-20(26)12-4-3-5-13-21(27)25-29/h1,6-11,14-15,29H,3-5,12-13H2,(H,23,26)(H,24,28)(H,25,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.17E+3n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of EGFR derived from human A431 cell membrane assessed as inhibition of poly-Glu-Tyr phosphorylation after 30 mins by ELISA assay


Bioorg Med Chem 20: 4405-12 (2012)

More data for this
Ligand-Target Pair