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PubMed code 27448924

Compile data set for download or QSAR
Found 53 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50145416
PNG
(GSK2126458 | OMIPALISIB | Omipalisib)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nccc(-c3ccnnc3)c2c1
Show InChI InChI=1S/C25H17F2N5O3S/c1-35-25-23(32-36(33,34)24-5-3-18(26)12-21(24)27)11-17(13-29-25)15-2-4-22-20(10-15)19(7-8-28-22)16-6-9-30-31-14-16/h2-14,32H,1H3
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n/an/a 0.310n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of mTOR (unknown origin) using ULight-4E-BP1 peptide as substrate after 1 hr in presence of ATP by lance ultra assay


Eur J Med Chem 122: 684-701 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.030
BindingDB Entry DOI: 10.7270/Q2VD71FD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50202550
PNG
(CHEMBL3905146)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nccc(-c3ccc(CN(C)CCO)cc3)c2c1
Show InChI InChI=1S/C31H28F2N4O4S/c1-37(13-14-38)19-20-3-5-21(6-4-20)25-11-12-34-28-9-7-22(15-26(25)28)23-16-29(31(41-2)35-18-23)36-42(39,40)30-10-8-24(32)17-27(30)33/h3-12,15-18,36,38H,13-14,19H2,1-2H3
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n/an/a 0.590n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate after 1 hr in presence of ATP by kinase-glo luminescence assay


Eur J Med Chem 122: 684-701 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.030
BindingDB Entry DOI: 10.7270/Q2VD71FD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50145416
PNG
(GSK2126458 | OMIPALISIB | Omipalisib)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nccc(-c3ccnnc3)c2c1
Show InChI InChI=1S/C25H17F2N5O3S/c1-35-25-23(32-36(33,34)24-5-3-18(26)12-21(24)27)11-17(13-29-25)15-2-4-22-20(10-15)19(7-8-28-22)16-6-9-30-31-14-16/h2-14,32H,1H3
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n/an/a 0.610n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate after 1 hr in presence of ATP by ADP-glo based luminescence assay


Eur J Med Chem 122: 684-701 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.030
BindingDB Entry DOI: 10.7270/Q2VD71FD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50145416
PNG
(GSK2126458 | OMIPALISIB | Omipalisib)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nccc(-c3ccnnc3)c2c1
Show InChI InChI=1S/C25H17F2N5O3S/c1-35-25-23(32-36(33,34)24-5-3-18(26)12-21(24)27)11-17(13-29-25)15-2-4-22-20(10-15)19(7-8-28-22)16-6-9-30-31-14-16/h2-14,32H,1H3
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n/an/a 0.630n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate after 1 hr in presence of ATP by kinase-glo luminescence assay


Eur J Med Chem 122: 684-701 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.030
BindingDB Entry DOI: 10.7270/Q2VD71FD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50202547
PNG
(CHEMBL3968925)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nccc(-c3ccc(Cn4cncn4)cc3)c2c1
Show InChI InChI=1S/C30H22F2N6O3S/c1-41-30-28(37-42(39,40)29-9-7-23(31)14-26(29)32)13-22(15-35-30)21-6-8-27-25(12-21)24(10-11-34-27)20-4-2-19(3-5-20)16-38-18-33-17-36-38/h2-15,17-18,37H,16H2,1H3
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n/an/a 0.650n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate after 1 hr in presence of ATP by kinase-glo luminescence assay


Eur J Med Chem 122: 684-701 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.030
BindingDB Entry DOI: 10.7270/Q2VD71FD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50202618
PNG
(CHEMBL3896198)
Show SMILES CN(C)Cc1ccc(cc1)-c1ccnc2ccc(cc12)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2F)c1
Show InChI InChI=1S/C29H23ClF2N4O2S/c1-36(2)17-18-3-5-19(6-4-18)23-11-12-33-26-9-7-20(13-24(23)26)21-14-27(29(30)34-16-21)35-39(37,38)28-10-8-22(31)15-25(28)32/h3-16,35H,17H2,1-2H3
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n/an/a 0.690n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate after 1 hr in presence of ATP by kinase-glo luminescence assay


Eur J Med Chem 122: 684-701 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.030
BindingDB Entry DOI: 10.7270/Q2VD71FD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50202553
PNG
(CHEMBL3958024)
Show SMILES Fc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1Cl)-c1ccc2nccc(-c3ccc(Cn4cncn4)cc3)c2c1
Show InChI InChI=1S/C29H20ClFN6O2S/c30-29-28(36-40(38,39)24-8-6-23(31)7-9-24)14-22(15-34-29)21-5-10-27-26(13-21)25(11-12-33-27)20-3-1-19(2-4-20)16-37-18-32-17-35-37/h1-15,17-18,36H,16H2
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n/an/a 0.730n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate after 1 hr in presence of ATP by kinase-glo luminescence assay


Eur J Med Chem 122: 684-701 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.030
BindingDB Entry DOI: 10.7270/Q2VD71FD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50202547
PNG
(CHEMBL3968925)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nccc(-c3ccc(Cn4cncn4)cc3)c2c1
Show InChI InChI=1S/C30H22F2N6O3S/c1-41-30-28(37-42(39,40)29-9-7-23(31)14-26(29)32)13-22(15-35-30)21-6-8-27-25(12-21)24(10-11-34-27)20-4-2-19(3-5-20)16-38-18-33-17-36-38/h2-15,17-18,37H,16H2,1H3
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n/an/a 0.740n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate after 1 hr in presence of ATP by ADP-glo based luminescence assay


Eur J Med Chem 122: 684-701 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.030
BindingDB Entry DOI: 10.7270/Q2VD71FD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50202620
PNG
(CHEMBL3975939)
Show SMILES CN(CCO)Cc1ccc(cc1)-c1ccnc2ccc(cc12)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2F)c1
Show InChI InChI=1S/C30H25ClF2N4O3S/c1-37(12-13-38)18-19-2-4-20(5-3-19)24-10-11-34-27-8-6-21(14-25(24)27)22-15-28(30(31)35-17-22)36-41(39,40)29-9-7-23(32)16-26(29)33/h2-11,14-17,36,38H,12-13,18H2,1H3
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n/an/a 0.75n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate after 1 hr in presence of ATP by kinase-glo luminescence assay


Eur J Med Chem 122: 684-701 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.030
BindingDB Entry DOI: 10.7270/Q2VD71FD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50202555
PNG
(CHEMBL3897883)
Show SMILES Fc1ccc(c(F)c1)S(=O)(=O)Nc1cc(cnc1Cl)-c1ccc2nccc(-c3ccc(Cn4cncn4)cc3)c2c1
Show InChI InChI=1S/C29H19ClF2N6O2S/c30-29-27(37-41(39,40)28-8-6-22(31)13-25(28)32)12-21(14-35-29)20-5-7-26-24(11-20)23(9-10-34-26)19-3-1-18(2-4-19)15-38-17-33-16-36-38/h1-14,16-17,37H,15H2
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n/an/a 0.820n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate after 1 hr in presence of ATP by kinase-glo luminescence assay


Eur J Med Chem 122: 684-701 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.030
BindingDB Entry DOI: 10.7270/Q2VD71FD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50202548
PNG
(CHEMBL3986709)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1)-c1ccc2nccc(-c3ccc(Cn4cncn4)cc3)c2c1
Show InChI InChI=1S/C30H23FN6O3S/c1-40-30-29(36-41(38,39)25-9-7-24(31)8-10-25)15-23(16-34-30)22-6-11-28-27(14-22)26(12-13-33-28)21-4-2-20(3-5-21)17-37-19-32-18-35-37/h2-16,18-19,36H,17H2,1H3
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n/an/a 0.910n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate after 1 hr in presence of ATP by kinase-glo luminescence assay


Eur J Med Chem 122: 684-701 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.030
BindingDB Entry DOI: 10.7270/Q2VD71FD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50202624
PNG
(CHEMBL3985009)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nccc(-c3ccc(Cn4ccnc4C)cc3)c2c1
Show InChI InChI=1S/C32H25F2N5O3S/c1-20-35-13-14-39(20)19-21-3-5-22(6-4-21)26-11-12-36-29-9-7-23(15-27(26)29)24-16-30(32(42-2)37-18-24)38-43(40,41)31-10-8-25(33)17-28(31)34/h3-18,38H,19H2,1-2H3
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n/an/a 0.950n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate after 1 hr in presence of ATP by kinase-glo luminescence assay


Eur J Med Chem 122: 684-701 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.030
BindingDB Entry DOI: 10.7270/Q2VD71FD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50202621
PNG
(CHEMBL3939972)
Show SMILES CN(CCO)Cc1ccc(cc1)-c1ccnc2ccc(cc12)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1
Show InChI InChI=1S/C30H26ClFN4O3S/c1-36(14-15-37)19-20-2-4-21(5-3-20)26-12-13-33-28-11-6-22(16-27(26)28)23-17-29(30(31)34-18-23)35-40(38,39)25-9-7-24(32)8-10-25/h2-13,16-18,35,37H,14-15,19H2,1H3
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Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate after 1 hr in presence of ATP by kinase-glo luminescence assay


Eur J Med Chem 122: 684-701 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.030
BindingDB Entry DOI: 10.7270/Q2VD71FD
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50202547
PNG
(CHEMBL3968925)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nccc(-c3ccc(Cn4cncn4)cc3)c2c1
Show InChI InChI=1S/C30H22F2N6O3S/c1-41-30-28(37-42(39,40)29-9-7-23(31)14-26(29)32)13-22(15-35-30)21-6-8-27-25(12-21)24(10-11-34-27)20-4-2-19(3-5-20)16-38-18-33-17-36-38/h2-15,17-18,37H,16H2,1H3
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n/an/a 1.10n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of mTOR (unknown origin) using ULight-4E-BP1 peptide as substrate after 1 hr in presence of ATP by lance ultra assay


Eur J Med Chem 122: 684-701 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.030
BindingDB Entry DOI: 10.7270/Q2VD71FD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50202550
PNG
(CHEMBL3905146)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nccc(-c3ccc(CN(C)CCO)cc3)c2c1
Show InChI InChI=1S/C31H28F2N4O4S/c1-37(13-14-38)19-20-3-5-21(6-4-20)25-11-12-34-28-9-7-22(15-26(25)28)23-16-29(31(41-2)35-18-23)36-42(39,40)30-10-8-24(32)17-27(30)33/h3-12,15-18,36,38H,13-14,19H2,1-2H3
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n/an/a 1.10n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta (unknown origin) using PIP2 as substrate after 1 hr in presence of ATP by ADP-glo based luminescence assay


Eur J Med Chem 122: 684-701 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.030
BindingDB Entry DOI: 10.7270/Q2VD71FD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50202554
PNG
(CHEMBL3904493)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nccc(-c3ccc(Cn4ccnc4)cc3)c2c1
Show InChI InChI=1S/C31H23F2N5O3S/c1-41-31-29(37-42(39,40)30-9-7-24(32)16-27(30)33)15-23(17-36-31)22-6-8-28-26(14-22)25(10-11-35-28)21-4-2-20(3-5-21)18-38-13-12-34-19-38/h2-17,19,37H,18H2,1H3
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n/an/a 1.10n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate after 1 hr in presence of ATP by kinase-glo luminescence assay


Eur J Med Chem 122: 684-701 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.030
BindingDB Entry DOI: 10.7270/Q2VD71FD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50202629
PNG
(CHEMBL3915419)
Show SMILES CCN(CC)Cc1ccc(cc1)-c1ccnc2ccc(cc12)-c1cnc(OC)c(NS(=O)(=O)c2ccc(F)cc2F)c1
Show InChI InChI=1S/C32H30F2N4O3S/c1-4-38(5-2)20-21-6-8-22(9-7-21)26-14-15-35-29-12-10-23(16-27(26)29)24-17-30(32(41-3)36-19-24)37-42(39,40)31-13-11-25(33)18-28(31)34/h6-19,37H,4-5,20H2,1-3H3
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n/an/a 1.10n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate after 1 hr in presence of ATP by kinase-glo luminescence assay


Eur J Med Chem 122: 684-701 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.030
BindingDB Entry DOI: 10.7270/Q2VD71FD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50202550
PNG
(CHEMBL3905146)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nccc(-c3ccc(CN(C)CCO)cc3)c2c1
Show InChI InChI=1S/C31H28F2N4O4S/c1-37(13-14-38)19-20-3-5-21(6-4-20)25-11-12-34-28-9-7-22(15-26(25)28)23-16-29(31(41-2)35-18-23)36-42(39,40)30-10-8-24(32)17-27(30)33/h3-12,15-18,36,38H,13-14,19H2,1-2H3
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n/an/a 1.10n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate after 1 hr in presence of ATP by ADP-glo based luminescence assay


Eur J Med Chem 122: 684-701 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.030
BindingDB Entry DOI: 10.7270/Q2VD71FD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50202628
PNG
(CHEMBL3978461)
Show SMILES Fc1ccc(c(F)c1)S(=O)(=O)Nc1cc(cnc1Cl)-c1ccc2nccc(-c3ccc(CN4CCOCC4)cc3)c2c1
Show InChI InChI=1S/C31H25ClF2N4O3S/c32-31-29(37-42(39,40)30-8-6-24(33)17-27(30)34)16-23(18-36-31)22-5-7-28-26(15-22)25(9-10-35-28)21-3-1-20(2-4-21)19-38-11-13-41-14-12-38/h1-10,15-18,37H,11-14,19H2
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n/an/a 1.10n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate after 1 hr in presence of ATP by kinase-glo luminescence assay


Eur J Med Chem 122: 684-701 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.030
BindingDB Entry DOI: 10.7270/Q2VD71FD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50202545
PNG
(CHEMBL3949358)
Show SMILES Fc1ccc(c(F)c1)S(=O)(=O)Nc1cc(cnc1N1CCOCC1)-c1ccc2nccc(-c3ccc(CN4CCOCC4)cc3)c2c1
Show InChI InChI=1S/C35H33F2N5O4S/c36-28-6-8-34(31(37)21-28)47(43,44)40-33-20-27(22-39-35(33)42-13-17-46-18-14-42)26-5-7-32-30(19-26)29(9-10-38-32)25-3-1-24(2-4-25)23-41-11-15-45-16-12-41/h1-10,19-22,40H,11-18,23H2
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n/an/a 1.10n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate after 1 hr in presence of ATP by kinase-glo luminescence assay


Eur J Med Chem 122: 684-701 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.030
BindingDB Entry DOI: 10.7270/Q2VD71FD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50202626
PNG
(CHEMBL3976938)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nccc(-c3ccc(Cn4cccn4)cc3)c2c1
Show InChI InChI=1S/C31H23F2N5O3S/c1-41-31-29(37-42(39,40)30-10-8-24(32)17-27(30)33)16-23(18-35-31)22-7-9-28-26(15-22)25(11-13-34-28)21-5-3-20(4-6-21)19-38-14-2-12-36-38/h2-18,37H,19H2,1H3
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n/an/a 1.10n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate after 1 hr in presence of ATP by kinase-glo luminescence assay


Eur J Med Chem 122: 684-701 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.030
BindingDB Entry DOI: 10.7270/Q2VD71FD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50202549
PNG
(CHEMBL3951052)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nccc(-c3ccc(CN4CCN(CCO)CC4)cc3)c2c1
Show InChI InChI=1S/C34H33F2N5O4S/c1-45-34-32(39-46(43,44)33-9-7-27(35)20-30(33)36)19-26(21-38-34)25-6-8-31-29(18-25)28(10-11-37-31)24-4-2-23(3-5-24)22-41-14-12-40(13-15-41)16-17-42/h2-11,18-21,39,42H,12-17,22H2,1H3
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n/an/a 1.20n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate after 1 hr in presence of ATP by kinase-glo luminescence assay


Eur J Med Chem 122: 684-701 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.030
BindingDB Entry DOI: 10.7270/Q2VD71FD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50145416
PNG
(GSK2126458 | OMIPALISIB | Omipalisib)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nccc(-c3ccnnc3)c2c1
Show InChI InChI=1S/C25H17F2N5O3S/c1-35-25-23(32-36(33,34)24-5-3-18(26)12-21(24)27)11-17(13-29-25)15-2-4-22-20(10-15)19(7-8-28-22)16-6-9-30-31-14-16/h2-14,32H,1H3
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n/an/a 1.20n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta (unknown origin) using PIP2 as substrate after 1 hr in presence of ATP by ADP-glo based luminescence assay


Eur J Med Chem 122: 684-701 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.030
BindingDB Entry DOI: 10.7270/Q2VD71FD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50202616
PNG
(CHEMBL3914319)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nccc(-c3ccc(CN4CCCCC4)cc3)c2c1
Show InChI InChI=1S/C33H30F2N4O3S/c1-42-33-31(38-43(40,41)32-12-10-26(34)19-29(32)35)18-25(20-37-33)24-9-11-30-28(17-24)27(13-14-36-30)23-7-5-22(6-8-23)21-39-15-3-2-4-16-39/h5-14,17-20,38H,2-4,15-16,21H2,1H3
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n/an/a 1.20n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate after 1 hr in presence of ATP by kinase-glo luminescence assay


Eur J Med Chem 122: 684-701 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.030
BindingDB Entry DOI: 10.7270/Q2VD71FD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50202627
PNG
(CHEMBL3924412)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nccc(-c3ccc(CN(CCO)CCO)cc3)c2c1
Show InChI InChI=1S/C32H30F2N4O5S/c1-43-32-30(37-44(41,42)31-9-7-25(33)18-28(31)34)17-24(19-36-32)23-6-8-29-27(16-23)26(10-11-35-29)22-4-2-21(3-5-22)20-38(12-14-39)13-15-40/h2-11,16-19,37,39-40H,12-15,20H2,1H3
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n/an/a 1.30n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate after 1 hr in presence of ATP by kinase-glo luminescence assay


Eur J Med Chem 122: 684-701 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.030
BindingDB Entry DOI: 10.7270/Q2VD71FD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50202623
PNG
(CHEMBL3942320)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nccc(-c3ccc(CN4CCN(C)CC4)cc3)c2c1
Show InChI InChI=1S/C33H31F2N5O3S/c1-39-13-15-40(16-14-39)21-22-3-5-23(6-4-22)27-11-12-36-30-9-7-24(17-28(27)30)25-18-31(33(43-2)37-20-25)38-44(41,42)32-10-8-26(34)19-29(32)35/h3-12,17-20,38H,13-16,21H2,1-2H3
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n/an/a 1.30n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate after 1 hr in presence of ATP by kinase-glo luminescence assay


Eur J Med Chem 122: 684-701 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.030
BindingDB Entry DOI: 10.7270/Q2VD71FD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50202546
PNG
(CHEMBL3963018)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nccc(-c3ccc(CN(C)C)cc3)c2c1
Show InChI InChI=1S/C30H26F2N4O3S/c1-36(2)18-19-4-6-20(7-5-19)24-12-13-33-27-10-8-21(14-25(24)27)22-15-28(30(39-3)34-17-22)35-40(37,38)29-11-9-23(31)16-26(29)32/h4-17,35H,18H2,1-3H3
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n/an/a 1.30n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate after 1 hr in presence of ATP by kinase-glo luminescence assay


Eur J Med Chem 122: 684-701 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.030
BindingDB Entry DOI: 10.7270/Q2VD71FD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50202630
PNG
(CHEMBL3933347)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nccc(-c3ccc(CN4CCCC4)cc3)c2c1
Show InChI InChI=1S/C32H28F2N4O3S/c1-41-32-30(37-42(39,40)31-11-9-25(33)18-28(31)34)17-24(19-36-32)23-8-10-29-27(16-23)26(12-13-35-29)22-6-4-21(5-7-22)20-38-14-2-3-15-38/h4-13,16-19,37H,2-3,14-15,20H2,1H3
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n/an/a 1.40n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate after 1 hr in presence of ATP by kinase-glo luminescence assay


Eur J Med Chem 122: 684-701 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.030
BindingDB Entry DOI: 10.7270/Q2VD71FD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50202552
PNG
(CHEMBL3895847)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nccc(N3CCOCC3)c2c1
Show InChI InChI=1S/C25H22F2N4O4S/c1-34-25-22(30-36(32,33)24-5-3-18(26)14-20(24)27)13-17(15-29-25)16-2-4-21-19(12-16)23(6-7-28-21)31-8-10-35-11-9-31/h2-7,12-15,30H,8-11H2,1H3
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n/an/a 1.40n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate after 1 hr in presence of ATP by kinase-glo luminescence assay


Eur J Med Chem 122: 684-701 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.030
BindingDB Entry DOI: 10.7270/Q2VD71FD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50202546
PNG
(CHEMBL3963018)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nccc(-c3ccc(CN(C)C)cc3)c2c1
Show InChI InChI=1S/C30H26F2N4O3S/c1-36(2)18-19-4-6-20(7-5-19)24-12-13-33-27-10-8-21(14-25(24)27)22-15-28(30(39-3)34-17-22)35-40(37,38)29-11-9-23(31)16-26(29)32/h4-17,35H,18H2,1-3H3
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n/an/a 1.5n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate after 1 hr in presence of ATP by ADP-glo based luminescence assay


Eur J Med Chem 122: 684-701 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.030
BindingDB Entry DOI: 10.7270/Q2VD71FD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50202622
PNG
(CHEMBL3940597)
Show SMILES Fc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1Cl)-c1ccc2nccc(-c3ccc(CN4CCOCC4)cc3)c2c1
Show InChI InChI=1S/C31H26ClFN4O3S/c32-31-30(36-41(38,39)26-8-6-25(33)7-9-26)18-24(19-35-31)23-5-10-29-28(17-23)27(11-12-34-29)22-3-1-21(2-4-22)20-37-13-15-40-16-14-37/h1-12,17-19,36H,13-16,20H2
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n/an/a 1.5n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate after 1 hr in presence of ATP by kinase-glo luminescence assay


Eur J Med Chem 122: 684-701 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.030
BindingDB Entry DOI: 10.7270/Q2VD71FD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50202625
PNG
(CHEMBL3896400)
Show SMILES CCN(Cc1ccc(cc1)-c1ccnc2ccc(cc12)-c1cnc(OC)c(NS(=O)(=O)c2ccc(F)cc2F)c1)C1CCCCC1
Show InChI InChI=1S/C36H36F2N4O3S/c1-3-42(29-7-5-4-6-8-29)23-24-9-11-25(12-10-24)30-17-18-39-33-15-13-26(19-31(30)33)27-20-34(36(45-2)40-22-27)41-46(43,44)35-16-14-28(37)21-32(35)38/h9-22,29,41H,3-8,23H2,1-2H3
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n/an/a 1.60n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate after 1 hr in presence of ATP by kinase-glo luminescence assay


Eur J Med Chem 122: 684-701 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.030
BindingDB Entry DOI: 10.7270/Q2VD71FD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50202551
PNG
(CHEMBL3905930)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1)-c1ccc2nccc(-c3ccc(CN4CCOCC4)cc3)c2c1
Show InChI InChI=1S/C32H29FN4O4S/c1-40-32-31(36-42(38,39)27-9-7-26(33)8-10-27)19-25(20-35-32)24-6-11-30-29(18-24)28(12-13-34-30)23-4-2-22(3-5-23)21-37-14-16-41-17-15-37/h2-13,18-20,36H,14-17,21H2,1H3
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Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate after 1 hr in presence of ATP by kinase-glo luminescence assay


Eur J Med Chem 122: 684-701 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.030
BindingDB Entry DOI: 10.7270/Q2VD71FD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50202617
PNG
(CHEMBL3923330)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nccc(-c3ccc(CN4CCN(CC4)C(C)C)cc3)c2c1
Show InChI InChI=1S/C35H35F2N5O3S/c1-23(2)42-16-14-41(15-17-42)22-24-4-6-25(7-5-24)29-12-13-38-32-10-8-26(18-30(29)32)27-19-33(35(45-3)39-21-27)40-46(43,44)34-11-9-28(36)20-31(34)37/h4-13,18-21,23,40H,14-17,22H2,1-3H3
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Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate after 1 hr in presence of ATP by kinase-glo luminescence assay


Eur J Med Chem 122: 684-701 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.030
BindingDB Entry DOI: 10.7270/Q2VD71FD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50202547
PNG
(CHEMBL3968925)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nccc(-c3ccc(Cn4cncn4)cc3)c2c1
Show InChI InChI=1S/C30H22F2N6O3S/c1-41-30-28(37-42(39,40)29-9-7-23(31)14-26(29)32)13-22(15-35-30)21-6-8-27-25(12-21)24(10-11-34-27)20-4-2-19(3-5-20)16-38-18-33-17-36-38/h2-15,17-18,37H,16H2,1H3
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n/an/a 1.70n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta (unknown origin) using PIP2 as substrate after 1 hr in presence of ATP by ADP-glo based luminescence assay


Eur J Med Chem 122: 684-701 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.030
BindingDB Entry DOI: 10.7270/Q2VD71FD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50202546
PNG
(CHEMBL3963018)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nccc(-c3ccc(CN(C)C)cc3)c2c1
Show InChI InChI=1S/C30H26F2N4O3S/c1-36(2)18-19-4-6-20(7-5-19)24-12-13-33-27-10-8-21(14-25(24)27)22-15-28(30(39-3)34-17-22)35-40(37,38)29-11-9-23(31)16-26(29)32/h4-17,35H,18H2,1-3H3
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n/an/a 1.80n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta (unknown origin) using PIP2 as substrate after 1 hr in presence of ATP by ADP-glo based luminescence assay


Eur J Med Chem 122: 684-701 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.030
BindingDB Entry DOI: 10.7270/Q2VD71FD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50202619
PNG
(CHEMBL3925191)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1)-c1ccc2nccc(-c3ccc(CN(C)C)cc3)c2c1
Show InChI InChI=1S/C30H27FN4O3S/c1-35(2)19-20-4-6-21(7-5-20)26-14-15-32-28-13-8-22(16-27(26)28)23-17-29(30(38-3)33-18-23)34-39(36,37)25-11-9-24(31)10-12-25/h4-18,34H,19H2,1-3H3
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n/an/a 2.10n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate after 1 hr in presence of ATP by kinase-glo luminescence assay


Eur J Med Chem 122: 684-701 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.030
BindingDB Entry DOI: 10.7270/Q2VD71FD
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50202550
PNG
(CHEMBL3905146)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nccc(-c3ccc(CN(C)CCO)cc3)c2c1
Show InChI InChI=1S/C31H28F2N4O4S/c1-37(13-14-38)19-20-3-5-21(6-4-20)25-11-12-34-28-9-7-22(15-26(25)28)23-16-29(31(41-2)35-18-23)36-42(39,40)30-10-8-24(32)17-27(30)33/h3-12,15-18,36,38H,13-14,19H2,1-2H3
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n/an/a 2.20n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of mTOR (unknown origin) using ULight-4E-BP1 peptide as substrate after 1 hr in presence of ATP by lance ultra assay


Eur J Med Chem 122: 684-701 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.030
BindingDB Entry DOI: 10.7270/Q2VD71FD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50202556
PNG
(CHEMBL3904794)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nccc(Cl)c2c1
Show InChI InChI=1S/C21H14ClF2N3O3S/c1-30-21-19(27-31(28,29)20-5-3-14(23)10-17(20)24)9-13(11-26-21)12-2-4-18-15(8-12)16(22)6-7-25-18/h2-11,27H,1H3
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n/an/a 2.30n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate after 1 hr in presence of ATP by kinase-glo luminescence assay


Eur J Med Chem 122: 684-701 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.030
BindingDB Entry DOI: 10.7270/Q2VD71FD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50202560
PNG
(CHEMBL3905333)
Show SMILES CNCCN(C)Cc1ccc(cc1)-c1ccnc2ccc(cc12)-c1cnc(OC)c(NS(=O)(=O)c2ccc(F)cc2F)c1
Show InChI InChI=1S/C32H31F2N5O3S/c1-35-14-15-39(2)20-21-4-6-22(7-5-21)26-12-13-36-29-10-8-23(16-27(26)29)24-17-30(32(42-3)37-19-24)38-43(40,41)31-11-9-25(33)18-28(31)34/h4-13,16-19,35,38H,14-15,20H2,1-3H3
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n/an/a 2.5n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate after 1 hr in presence of ATP by kinase-glo luminescence assay


Eur J Med Chem 122: 684-701 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.030
BindingDB Entry DOI: 10.7270/Q2VD71FD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50145416
PNG
(GSK2126458 | OMIPALISIB | Omipalisib)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nccc(-c3ccnnc3)c2c1
Show InChI InChI=1S/C25H17F2N5O3S/c1-35-25-23(32-36(33,34)24-5-3-18(26)12-21(24)27)11-17(13-29-25)15-2-4-22-20(10-15)19(7-8-28-22)16-6-9-30-31-14-16/h2-14,32H,1H3
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n/an/a 2.5n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate after 1 hr in presence of ATP by kinase-glo luminescence assay


Eur J Med Chem 122: 684-701 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.030
BindingDB Entry DOI: 10.7270/Q2VD71FD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50202547
PNG
(CHEMBL3968925)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nccc(-c3ccc(Cn4cncn4)cc3)c2c1
Show InChI InChI=1S/C30H22F2N6O3S/c1-41-30-28(37-42(39,40)29-9-7-23(31)14-26(29)32)13-22(15-35-30)21-6-8-27-25(12-21)24(10-11-34-27)20-4-2-19(3-5-20)16-38-18-33-17-36-38/h2-15,17-18,37H,16H2,1H3
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n/an/a 2.80n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate after 1 hr in presence of ATP by kinase-glo luminescence assay


Eur J Med Chem 122: 684-701 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.030
BindingDB Entry DOI: 10.7270/Q2VD71FD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50202550
PNG
(CHEMBL3905146)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nccc(-c3ccc(CN(C)CCO)cc3)c2c1
Show InChI InChI=1S/C31H28F2N4O4S/c1-37(13-14-38)19-20-3-5-21(6-4-20)25-11-12-34-28-9-7-22(15-26(25)28)23-16-29(31(41-2)35-18-23)36-42(39,40)30-10-8-24(32)17-27(30)33/h3-12,15-18,36,38H,13-14,19H2,1-2H3
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n/an/a 3.40n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate after 1 hr in presence of ATP by kinase-glo luminescence assay


Eur J Med Chem 122: 684-701 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.030
BindingDB Entry DOI: 10.7270/Q2VD71FD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50202546
PNG
(CHEMBL3963018)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nccc(-c3ccc(CN(C)C)cc3)c2c1
Show InChI InChI=1S/C30H26F2N4O3S/c1-36(2)18-19-4-6-20(7-5-19)24-12-13-33-27-10-8-21(14-25(24)27)22-15-28(30(39-3)34-17-22)35-40(37,38)29-11-9-23(31)16-26(29)32/h4-17,35H,18H2,1-3H3
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n/an/a 3.80n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate after 1 hr in presence of ATP by kinase-glo luminescence assay


Eur J Med Chem 122: 684-701 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.030
BindingDB Entry DOI: 10.7270/Q2VD71FD
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50202546
PNG
(CHEMBL3963018)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nccc(-c3ccc(CN(C)C)cc3)c2c1
Show InChI InChI=1S/C30H26F2N4O3S/c1-36(2)18-19-4-6-20(7-5-19)24-12-13-33-27-10-8-21(14-25(24)27)22-15-28(30(39-3)34-17-22)35-40(37,38)29-11-9-23(31)16-26(29)32/h4-17,35H,18H2,1-3H3
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n/an/a 3.80n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of mTOR (unknown origin) using ULight-4E-BP1 peptide as substrate after 1 hr in presence of ATP by lance ultra assay


Eur J Med Chem 122: 684-701 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.030
BindingDB Entry DOI: 10.7270/Q2VD71FD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50202559
PNG
(CHEMBL3985191)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nccc(-c3ccc(C)cc3)c2c1
Show InChI InChI=1S/C28H21F2N3O3S/c1-17-3-5-18(6-4-17)22-11-12-31-25-9-7-19(13-23(22)25)20-14-26(28(36-2)32-16-20)33-37(34,35)27-10-8-21(29)15-24(27)30/h3-16,33H,1-2H3
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n/an/a 4.5n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate after 1 hr in presence of ATP by kinase-glo luminescence assay


Eur J Med Chem 122: 684-701 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.030
BindingDB Entry DOI: 10.7270/Q2VD71FD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50202631
PNG
(CHEMBL3911998)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1)-c1ccc2nccc(-c3ccc(CN(C)CCO)cc3)c2c1
Show InChI InChI=1S/C31H29FN4O4S/c1-36(15-16-37)20-21-3-5-22(6-4-21)27-13-14-33-29-12-7-23(17-28(27)29)24-18-30(31(40-2)34-19-24)35-41(38,39)26-10-8-25(32)9-11-26/h3-14,17-19,35,37H,15-16,20H2,1-2H3
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n/an/a 4.80n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate after 1 hr in presence of ATP by kinase-glo luminescence assay


Eur J Med Chem 122: 684-701 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.030
BindingDB Entry DOI: 10.7270/Q2VD71FD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM25045
PNG
(3-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin...)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
Show InChI InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2
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n/an/a 6.10n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate after 1 hr in presence of ATP by kinase-glo luminescence assay


Eur J Med Chem 122: 684-701 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.030
BindingDB Entry DOI: 10.7270/Q2VD71FD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM25045
PNG
(3-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin...)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
Show InChI InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2
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n/an/a 8.80n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of mTOR (unknown origin) using ULight-4E-BP1 peptide as substrate after 1 hr in presence of ATP by lance ultra assay


Eur J Med Chem 122: 684-701 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.030
BindingDB Entry DOI: 10.7270/Q2VD71FD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM25045
PNG
(3-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin...)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
Show InChI InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2
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n/an/a 9.40n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate after 1 hr in presence of ATP by kinase-glo luminescence assay


Eur J Med Chem 122: 684-701 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.030
BindingDB Entry DOI: 10.7270/Q2VD71FD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM25045
PNG
(3-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin...)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
Show InChI InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2
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n/an/a 12n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta (unknown origin) using PIP2 as substrate after 1 hr in presence of ATP by ADP-glo based luminescence assay


Eur J Med Chem 122: 684-701 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.030
BindingDB Entry DOI: 10.7270/Q2VD71FD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM25045
PNG
(3-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin...)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
Show InChI InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2
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n/an/a 18n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate after 1 hr in presence of ATP by ADP-glo based luminescence assay


Eur J Med Chem 122: 684-701 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.030
BindingDB Entry DOI: 10.7270/Q2VD71FD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50202557
PNG
(CHEMBL3923855)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nccc(N3CCCC3)c2c1
Show InChI InChI=1S/C25H22F2N4O3S/c1-34-25-22(30-35(32,33)24-7-5-18(26)14-20(24)27)13-17(15-29-25)16-4-6-21-19(12-16)23(8-9-28-21)31-10-2-3-11-31/h4-9,12-15,30H,2-3,10-11H2,1H3
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n/an/a>100n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate after 1 hr in presence of ATP by kinase-glo luminescence assay


Eur J Med Chem 122: 684-701 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.030
BindingDB Entry DOI: 10.7270/Q2VD71FD
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%