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Compile Data Set for Download or QSAR

Found 41 hits with Last Name = 'zhang' and Initial = 'sq'   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
PI3-kinase 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


Bioorg Med Chem 23: 5662-71 (2015)

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


Bioorg Med Chem 23: 5662-71 (2015)

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


Bioorg Med Chem 23: 6477-85 (2015)

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


Bioorg Med Chem 23: 5662-71 (2015)

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


Bioorg Med Chem 23: 5662-71 (2015)

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


Bioorg Med Chem 23: 5662-71 (2015)

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


Bioorg Med Chem 23: 5662-71 (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)


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


Bioorg Med Chem 23: 5662-71 (2015)

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


Bioorg Med Chem 23: 6477-85 (2015)

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


Bioorg Med Chem 23: 5662-71 (2015)

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


Bioorg Med Chem 23: 6477-85 (2015)

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


Bioorg Med Chem 23: 5662-71 (2015)

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


Bioorg Med Chem 23: 6477-85 (2015)

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


Bioorg Med Chem 23: 5662-71 (2015)

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


Bioorg Med Chem 23: 6477-85 (2015)

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


Bioorg Med Chem 23: 5662-71 (2015)

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


Bioorg Med Chem 23: 5662-71 (2015)

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


Bioorg Med Chem 23: 6477-85 (2015)

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


Bioorg Med Chem 23: 6477-85 (2015)

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


Bioorg Med Chem 23: 5662-71 (2015)

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


Bioorg Med Chem 23: 5662-71 (2015)

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


Bioorg Med Chem 23: 5662-71 (2015)

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


Bioorg Med Chem 23: 6477-85 (2015)

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)
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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

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antibodypedia
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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