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Compile Data Set for Download or QSAR

Found 181 hits with Last Name = 'tauzia' and Initial = 'ml'   
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
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50243145
PNG
(CHEMBL3109141)
Show SMILES OCc1cccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3ncccc3n2)c1
Show InChI InChI=1S/C25H24N6O3/c32-16-17-3-1-4-20(15-17)28-25(33)27-19-8-6-18(7-9-19)23-29-21-5-2-10-26-22(21)24(30-23)31-11-13-34-14-12-31/h1-10,15,32H,11-14,16H2,(H2,27,28,33)
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n/an/a 1n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of mTOR (unknown origin) after 2 hrs by TR-FRET assay


J Med Chem 57: 613-31 (2014)


Article DOI: 10.1021/jm401138v
BindingDB Entry DOI: 10.7270/Q2G44T8C
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50495494
PNG
(CHEMBL3109116)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2ncccc2n1
Show InChI InChI=1S/C17H16N4O2/c22-13-4-1-3-12(11-13)16-19-14-5-2-6-18-15(14)17(20-16)21-7-9-23-10-8-21/h1-6,11,22H,7-10H2
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n/an/a 3n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) after 1 hr by TR-FRET assay


J Med Chem 57: 613-31 (2014)


Article DOI: 10.1021/jm401138v
BindingDB Entry DOI: 10.7270/Q2G44T8C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50243143
PNG
(CHEMBL3109142)
Show SMILES OCc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3ncccc3n2)cc1
Show InChI InChI=1S/C25H24N6O3/c32-16-17-3-7-19(8-4-17)27-25(33)28-20-9-5-18(6-10-20)23-29-21-2-1-11-26-22(21)24(30-23)31-12-14-34-15-13-31/h1-11,32H,12-16H2,(H2,27,28,33)
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n/an/a 5n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of mTOR (unknown origin) after 2 hrs by TR-FRET assay


J Med Chem 57: 613-31 (2014)


Article DOI: 10.1021/jm401138v
BindingDB Entry DOI: 10.7270/Q2G44T8C
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50495487
PNG
(CHEMBL3109134)
Show SMILES Nc1ncc(cn1)-c1nc(N2CCOCC2)c2ncccc2n1
Show InChI InChI=1S/C15H15N7O/c16-15-18-8-10(9-19-15)13-20-11-2-1-3-17-12(11)14(21-13)22-4-6-23-7-5-22/h1-3,8-9H,4-7H2,(H2,16,18,19)
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n/an/a 7n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) after 1 hr by TR-FRET assay


J Med Chem 57: 613-31 (2014)


Article DOI: 10.1021/jm401138v
BindingDB Entry DOI: 10.7270/Q2G44T8C
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
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 8n/an/an/an/an/an/a



Universit£ de Nantes

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha/p85alpha by fluorescence based immunoassay


Eur J Med Chem 57: 225-33 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.001
BindingDB Entry DOI: 10.7270/Q2RF5W4C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50495501
PNG
(CHEMBL3109133)
Show SMILES Nc1ccc(cn1)-c1nc(N2CCOCC2)c2ncccc2n1
Show InChI InChI=1S/C16H16N6O/c17-13-4-3-11(10-19-13)15-20-12-2-1-5-18-14(12)16(21-15)22-6-8-23-9-7-22/h1-5,10H,6-9H2,(H2,17,19)
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n/an/a 8n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) after 1 hr by TR-FRET assay


J Med Chem 57: 613-31 (2014)


Article DOI: 10.1021/jm401138v
BindingDB Entry DOI: 10.7270/Q2G44T8C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50495499
PNG
(CHEMBL3109140)
Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2ncccc2n1
Show InChI InChI=1S/C19H20N6O2/c1-20-19(26)22-14-6-4-13(5-7-14)17-23-15-3-2-8-21-16(15)18(24-17)25-9-11-27-12-10-25/h2-8H,9-12H2,1H3,(H2,20,22,26)
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n/an/a 13n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of mTOR (unknown origin) after 2 hrs by TR-FRET assay


J Med Chem 57: 613-31 (2014)


Article DOI: 10.1021/jm401138v
BindingDB Entry DOI: 10.7270/Q2G44T8C
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50243143
PNG
(CHEMBL3109142)
Show SMILES OCc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3ncccc3n2)cc1
Show InChI InChI=1S/C25H24N6O3/c32-16-17-3-7-19(8-4-17)27-25(33)28-20-9-5-18(6-10-20)23-29-21-2-1-11-26-22(21)24(30-23)31-12-14-34-15-13-31/h1-11,32H,12-16H2,(H2,27,28,33)
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n/an/a 14n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) after 1 hr by TR-FRET assay


J Med Chem 57: 613-31 (2014)


Article DOI: 10.1021/jm401138v
BindingDB Entry DOI: 10.7270/Q2G44T8C
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50495491
PNG
(CHEMBL3109139)
Show SMILES Nc1ncc(cn1)-c1nc(N2CCOCC2)c2cccnc2n1
Show InChI InChI=1S/C15H15N7O/c16-15-18-8-10(9-19-15)12-20-13-11(2-1-3-17-13)14(21-12)22-4-6-23-7-5-22/h1-3,8-9H,4-7H2,(H2,16,18,19)
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n/an/a 18n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) after 1 hr by TR-FRET assay


J Med Chem 57: 613-31 (2014)


Article DOI: 10.1021/jm401138v
BindingDB Entry DOI: 10.7270/Q2G44T8C
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50495494
PNG
(CHEMBL3109116)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2ncccc2n1
Show InChI InChI=1S/C17H16N4O2/c22-13-4-1-3-12(11-13)16-19-14-5-2-6-18-15(14)17(20-16)21-7-9-23-10-8-21/h1-6,11,22H,7-10H2
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n/an/a 19n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) after 1 hr by TR-FRET assay


J Med Chem 57: 613-31 (2014)


Article DOI: 10.1021/jm401138v
BindingDB Entry DOI: 10.7270/Q2G44T8C
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50495514
PNG
(CHEMBL3109126)
Show SMILES OCc1cccc(c1)-c1nc(N2CCOCC2)c2ncccc2n1
Show InChI InChI=1S/C18H18N4O2/c23-12-13-3-1-4-14(11-13)17-20-15-5-2-6-19-16(15)18(21-17)22-7-9-24-10-8-22/h1-6,11,23H,7-10,12H2
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n/an/a 24n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) after 1 hr by TR-FRET assay


J Med Chem 57: 613-31 (2014)


Article DOI: 10.1021/jm401138v
BindingDB Entry DOI: 10.7270/Q2G44T8C
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50243143
PNG
(CHEMBL3109142)
Show SMILES OCc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3ncccc3n2)cc1
Show InChI InChI=1S/C25H24N6O3/c32-16-17-3-7-19(8-4-17)27-25(33)28-20-9-5-18(6-10-20)23-29-21-2-1-11-26-22(21)24(30-23)31-12-14-34-15-13-31/h1-11,32H,12-16H2,(H2,27,28,33)
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n/an/a 26n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin) after 1 hr by TR-FRET assay


J Med Chem 57: 613-31 (2014)


Article DOI: 10.1021/jm401138v
BindingDB Entry DOI: 10.7270/Q2G44T8C
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50495501
PNG
(CHEMBL3109133)
Show SMILES Nc1ccc(cn1)-c1nc(N2CCOCC2)c2ncccc2n1
Show InChI InChI=1S/C16H16N6O/c17-13-4-3-11(10-19-13)15-20-12-2-1-5-18-14(12)16(21-15)22-6-8-23-9-7-22/h1-5,10H,6-9H2,(H2,17,19)
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n/an/a 27n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) after 1 hr by TR-FRET assay


J Med Chem 57: 613-31 (2014)


Article DOI: 10.1021/jm401138v
BindingDB Entry DOI: 10.7270/Q2G44T8C
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50495487
PNG
(CHEMBL3109134)
Show SMILES Nc1ncc(cn1)-c1nc(N2CCOCC2)c2ncccc2n1
Show InChI InChI=1S/C15H15N7O/c16-15-18-8-10(9-19-15)13-20-11-2-1-3-17-12(11)14(21-13)22-4-6-23-7-5-22/h1-3,8-9H,4-7H2,(H2,16,18,19)
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n/an/a 29n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) after 1 hr by TR-FRET assay


J Med Chem 57: 613-31 (2014)


Article DOI: 10.1021/jm401138v
BindingDB Entry DOI: 10.7270/Q2G44T8C
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50495494
PNG
(CHEMBL3109116)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2ncccc2n1
Show InChI InChI=1S/C17H16N4O2/c22-13-4-1-3-12(11-13)16-19-14-5-2-6-18-15(14)17(20-16)21-7-9-23-10-8-21/h1-6,11,22H,7-10H2
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n/an/a 31n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin) after 1 hr by TR-FRET assay


J Med Chem 57: 613-31 (2014)


Article DOI: 10.1021/jm401138v
BindingDB Entry DOI: 10.7270/Q2G44T8C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50495498
PNG
(CHEMBL3109146)
Show SMILES O=C(Nc1ccc(cc1)-c1nc(N2CCOCC2)c2ncccc2n1)Nc1cccnc1
Show InChI InChI=1S/C23H21N7O2/c31-23(27-18-3-1-9-24-15-18)26-17-7-5-16(6-8-17)21-28-19-4-2-10-25-20(19)22(29-21)30-11-13-32-14-12-30/h1-10,15H,11-14H2,(H2,26,27,31)
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n/an/a 35n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of mTOR (unknown origin) after 2 hrs by TR-FRET assay


J Med Chem 57: 613-31 (2014)


Article DOI: 10.1021/jm401138v
BindingDB Entry DOI: 10.7270/Q2G44T8C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50495485
PNG
(CHEMBL3109143)
Show SMILES Oc1cccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3ncccc3n2)c1
Show InChI InChI=1S/C24H22N6O3/c31-19-4-1-3-18(15-19)27-24(32)26-17-8-6-16(7-9-17)22-28-20-5-2-10-25-21(20)23(29-22)30-11-13-33-14-12-30/h1-10,15,31H,11-14H2,(H2,26,27,32)
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n/an/a 36n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of mTOR (unknown origin) after 2 hrs by TR-FRET assay


J Med Chem 57: 613-31 (2014)


Article DOI: 10.1021/jm401138v
BindingDB Entry DOI: 10.7270/Q2G44T8C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50495494
PNG
(CHEMBL3109116)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2ncccc2n1
Show InChI InChI=1S/C17H16N4O2/c22-13-4-1-3-12(11-13)16-19-14-5-2-6-18-15(14)17(20-16)21-7-9-23-10-8-21/h1-6,11,22H,7-10H2
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n/an/a 37n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of mTOR (unknown origin) after 2 hrs by TR-FRET assay


J Med Chem 57: 613-31 (2014)


Article DOI: 10.1021/jm401138v
BindingDB Entry DOI: 10.7270/Q2G44T8C
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50243145
PNG
(CHEMBL3109141)
Show SMILES OCc1cccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3ncccc3n2)c1
Show InChI InChI=1S/C25H24N6O3/c32-16-17-3-1-4-20(15-17)28-25(33)27-19-8-6-18(7-9-19)23-29-21-5-2-10-26-22(21)24(30-23)31-11-13-34-14-12-31/h1-10,15,32H,11-14,16H2,(H2,27,28,33)
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Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) after 1 hr by TR-FRET assay


J Med Chem 57: 613-31 (2014)


Article DOI: 10.1021/jm401138v
BindingDB Entry DOI: 10.7270/Q2G44T8C
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50495486
PNG
(CHEMBL3109144)
Show SMILES Oc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3ncccc3n2)cc1
Show InChI InChI=1S/C24H22N6O3/c31-19-9-7-18(8-10-19)27-24(32)26-17-5-3-16(4-6-17)22-28-20-2-1-11-25-21(20)23(29-22)30-12-14-33-15-13-30/h1-11,31H,12-15H2,(H2,26,27,32)
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n/an/a 45n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) after 1 hr by TR-FRET assay


J Med Chem 57: 613-31 (2014)


Article DOI: 10.1021/jm401138v
BindingDB Entry DOI: 10.7270/Q2G44T8C
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50495498
PNG
(CHEMBL3109146)
Show SMILES O=C(Nc1ccc(cc1)-c1nc(N2CCOCC2)c2ncccc2n1)Nc1cccnc1
Show InChI InChI=1S/C23H21N7O2/c31-23(27-18-3-1-9-24-15-18)26-17-7-5-16(6-8-17)21-28-19-4-2-10-25-20(19)22(29-21)30-11-13-32-14-12-30/h1-10,15H,11-14H2,(H2,26,27,31)
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n/an/a 45n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) after 1 hr by TR-FRET assay


J Med Chem 57: 613-31 (2014)


Article DOI: 10.1021/jm401138v
BindingDB Entry DOI: 10.7270/Q2G44T8C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50495486
PNG
(CHEMBL3109144)
Show SMILES Oc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3ncccc3n2)cc1
Show InChI InChI=1S/C24H22N6O3/c31-19-9-7-18(8-10-19)27-24(32)26-17-5-3-16(4-6-17)22-28-20-2-1-11-25-21(20)23(29-22)30-12-14-33-15-13-30/h1-11,31H,12-15H2,(H2,26,27,32)
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n/an/a 54n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of mTOR (unknown origin) after 2 hrs by TR-FRET assay


J Med Chem 57: 613-31 (2014)


Article DOI: 10.1021/jm401138v
BindingDB Entry DOI: 10.7270/Q2G44T8C
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50243143
PNG
(CHEMBL3109142)
Show SMILES OCc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3ncccc3n2)cc1
Show InChI InChI=1S/C25H24N6O3/c32-16-17-3-7-19(8-4-17)27-25(33)28-20-9-5-18(6-10-20)23-29-21-2-1-11-26-22(21)24(30-23)31-12-14-34-15-13-31/h1-11,32H,12-16H2,(H2,27,28,33)
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n/an/a 58n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) after 1 hr by TR-FRET assay


J Med Chem 57: 613-31 (2014)


Article DOI: 10.1021/jm401138v
BindingDB Entry DOI: 10.7270/Q2G44T8C
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50495497
PNG
(CHEMBL3109115)
Show SMILES Oc1cccc(c1)-c1nc(nc2cccnc12)N1CCOCC1
Show InChI InChI=1S/C17H16N4O2/c22-13-4-1-3-12(11-13)15-16-14(5-2-6-18-16)19-17(20-15)21-7-9-23-10-8-21/h1-6,11,22H,7-10H2
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n/an/a 59n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) after 1 hr by TR-FRET assay


J Med Chem 57: 613-31 (2014)


Article DOI: 10.1021/jm401138v
BindingDB Entry DOI: 10.7270/Q2G44T8C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50495487
PNG
(CHEMBL3109134)
Show SMILES Nc1ncc(cn1)-c1nc(N2CCOCC2)c2ncccc2n1
Show InChI InChI=1S/C15H15N7O/c16-15-18-8-10(9-19-15)13-20-11-2-1-3-17-12(11)14(21-13)22-4-6-23-7-5-22/h1-3,8-9H,4-7H2,(H2,16,18,19)
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n/an/a 59n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of mTOR (unknown origin) after 2 hrs by TR-FRET assay


J Med Chem 57: 613-31 (2014)


Article DOI: 10.1021/jm401138v
BindingDB Entry DOI: 10.7270/Q2G44T8C
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50495514
PNG
(CHEMBL3109126)
Show SMILES OCc1cccc(c1)-c1nc(N2CCOCC2)c2ncccc2n1
Show InChI InChI=1S/C18H18N4O2/c23-12-13-3-1-4-14(11-13)17-20-15-5-2-6-19-16(15)18(21-17)22-7-9-24-10-8-22/h1-6,11,23H,7-10,12H2
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n/an/a 61n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) after 1 hr by TR-FRET assay


J Med Chem 57: 613-31 (2014)


Article DOI: 10.1021/jm401138v
BindingDB Entry DOI: 10.7270/Q2G44T8C
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50243145
PNG
(CHEMBL3109141)
Show SMILES OCc1cccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3ncccc3n2)c1
Show InChI InChI=1S/C25H24N6O3/c32-16-17-3-1-4-20(15-17)28-25(33)27-19-8-6-18(7-9-19)23-29-21-5-2-10-26-22(21)24(30-23)31-11-13-34-14-12-31/h1-10,15,32H,11-14,16H2,(H2,27,28,33)
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n/an/a 62n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin) after 1 hr by TR-FRET assay


J Med Chem 57: 613-31 (2014)


Article DOI: 10.1021/jm401138v
BindingDB Entry DOI: 10.7270/Q2G44T8C
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50495499
PNG
(CHEMBL3109140)
Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2ncccc2n1
Show InChI InChI=1S/C19H20N6O2/c1-20-19(26)22-14-6-4-13(5-7-14)17-23-15-3-2-8-21-16(15)18(24-17)25-9-11-27-12-10-25/h2-8H,9-12H2,1H3,(H2,20,22,26)
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n/an/a 77n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) after 1 hr by TR-FRET assay


J Med Chem 57: 613-31 (2014)


Article DOI: 10.1021/jm401138v
BindingDB Entry DOI: 10.7270/Q2G44T8C
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50495498
PNG
(CHEMBL3109146)
Show SMILES O=C(Nc1ccc(cc1)-c1nc(N2CCOCC2)c2ncccc2n1)Nc1cccnc1
Show InChI InChI=1S/C23H21N7O2/c31-23(27-18-3-1-9-24-15-18)26-17-7-5-16(6-8-17)21-28-19-4-2-10-25-20(19)22(29-21)30-11-13-32-14-12-30/h1-10,15H,11-14H2,(H2,26,27,31)
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n/an/a 79n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin) after 1 hr by TR-FRET assay


J Med Chem 57: 613-31 (2014)


Article DOI: 10.1021/jm401138v
BindingDB Entry DOI: 10.7270/Q2G44T8C
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50495487
PNG
(CHEMBL3109134)
Show SMILES Nc1ncc(cn1)-c1nc(N2CCOCC2)c2ncccc2n1
Show InChI InChI=1S/C15H15N7O/c16-15-18-8-10(9-19-15)13-20-11-2-1-3-17-12(11)14(21-13)22-4-6-23-7-5-22/h1-3,8-9H,4-7H2,(H2,16,18,19)
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n/an/a 81n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin) after 1 hr by TR-FRET assay


J Med Chem 57: 613-31 (2014)


Article DOI: 10.1021/jm401138v
BindingDB Entry DOI: 10.7270/Q2G44T8C
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50495501
PNG
(CHEMBL3109133)
Show SMILES Nc1ccc(cn1)-c1nc(N2CCOCC2)c2ncccc2n1
Show InChI InChI=1S/C16H16N6O/c17-13-4-3-11(10-19-13)15-20-12-2-1-5-18-14(12)16(21-15)22-6-8-23-9-7-22/h1-5,10H,6-9H2,(H2,17,19)
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n/an/a 87n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin) after 1 hr by TR-FRET assay


J Med Chem 57: 613-31 (2014)


Article DOI: 10.1021/jm401138v
BindingDB Entry DOI: 10.7270/Q2G44T8C
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50391185
PNG
(CHEMBL2088663)
Show SMILES Cc1n[nH]c(=O)c2n(Cc3cccc(c3)C#N)c3ccc(Br)cc3c12
Show InChI InChI=1S/C19H13BrN4O/c1-11-17-15-8-14(20)5-6-16(15)24(18(17)19(25)23-22-11)10-13-4-2-3-12(7-13)9-21/h2-8H,10H2,1H3,(H,23,25)
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n/an/a 91n/an/an/an/an/an/a



Universit£ de Nantes

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha/p85alpha by fluorescence based immunoassay


Eur J Med Chem 57: 225-33 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.001
BindingDB Entry DOI: 10.7270/Q2RF5W4C
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50495499
PNG
(CHEMBL3109140)
Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2ncccc2n1
Show InChI InChI=1S/C19H20N6O2/c1-20-19(26)22-14-6-4-13(5-7-14)17-23-15-3-2-8-21-16(15)18(24-17)25-9-11-27-12-10-25/h2-8H,9-12H2,1H3,(H2,20,22,26)
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n/an/a 92n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) after 1 hr by TR-FRET assay


J Med Chem 57: 613-31 (2014)


Article DOI: 10.1021/jm401138v
BindingDB Entry DOI: 10.7270/Q2G44T8C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50495500
PNG
(CHEMBL3109137)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2cccnc2n1
Show InChI InChI=1S/C17H16N4O2/c22-13-4-1-3-12(11-13)15-19-16-14(5-2-6-18-16)17(20-15)21-7-9-23-10-8-21/h1-6,11,22H,7-10H2
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n/an/a 100n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of mTOR (unknown origin) after 2 hrs by TR-FRET assay


J Med Chem 57: 613-31 (2014)


Article DOI: 10.1021/jm401138v
BindingDB Entry DOI: 10.7270/Q2G44T8C
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50243145
PNG
(CHEMBL3109141)
Show SMILES OCc1cccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3ncccc3n2)c1
Show InChI InChI=1S/C25H24N6O3/c32-16-17-3-1-4-20(15-17)28-25(33)27-19-8-6-18(7-9-19)23-29-21-5-2-10-26-22(21)24(30-23)31-11-13-34-14-12-31/h1-10,15,32H,11-14,16H2,(H2,27,28,33)
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n/an/a 104n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) after 1 hr by TR-FRET assay


J Med Chem 57: 613-31 (2014)


Article DOI: 10.1021/jm401138v
BindingDB Entry DOI: 10.7270/Q2G44T8C
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50495500
PNG
(CHEMBL3109137)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2cccnc2n1
Show InChI InChI=1S/C17H16N4O2/c22-13-4-1-3-12(11-13)15-19-16-14(5-2-6-18-16)17(20-15)21-7-9-23-10-8-21/h1-6,11,22H,7-10H2
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n/an/a 106n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) after 1 hr by TR-FRET assay


J Med Chem 57: 613-31 (2014)


Article DOI: 10.1021/jm401138v
BindingDB Entry DOI: 10.7270/Q2G44T8C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50495495
PNG
(CHEMBL3109138)
Show SMILES OCc1cccc(c1)-c1nc(N2CCOCC2)c2cccnc2n1
Show InChI InChI=1S/C18H18N4O2/c23-12-13-3-1-4-14(11-13)16-20-17-15(5-2-6-19-17)18(21-16)22-7-9-24-10-8-22/h1-6,11,23H,7-10,12H2
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n/an/a 127n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of mTOR (unknown origin) after 2 hrs by TR-FRET assay


J Med Chem 57: 613-31 (2014)


Article DOI: 10.1021/jm401138v
BindingDB Entry DOI: 10.7270/Q2G44T8C
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50495498
PNG
(CHEMBL3109146)
Show SMILES O=C(Nc1ccc(cc1)-c1nc(N2CCOCC2)c2ncccc2n1)Nc1cccnc1
Show InChI InChI=1S/C23H21N7O2/c31-23(27-18-3-1-9-24-15-18)26-17-7-5-16(6-8-17)21-28-19-4-2-10-25-20(19)22(29-21)30-11-13-32-14-12-30/h1-10,15H,11-14H2,(H2,26,27,31)
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n/an/a 134n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) after 1 hr by TR-FRET assay


J Med Chem 57: 613-31 (2014)


Article DOI: 10.1021/jm401138v
BindingDB Entry DOI: 10.7270/Q2G44T8C
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50495491
PNG
(CHEMBL3109139)
Show SMILES Nc1ncc(cn1)-c1nc(N2CCOCC2)c2cccnc2n1
Show InChI InChI=1S/C15H15N7O/c16-15-18-8-10(9-19-15)12-20-13-11(2-1-3-17-13)14(21-12)22-4-6-23-7-5-22/h1-3,8-9H,4-7H2,(H2,16,18,19)
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n/an/a 144n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) after 1 hr by TR-FRET assay


J Med Chem 57: 613-31 (2014)


Article DOI: 10.1021/jm401138v
BindingDB Entry DOI: 10.7270/Q2G44T8C
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50495510
PNG
(CHEMBL3109128)
Show SMILES Nc1cccc(c1)-c1nc(N2CCOCC2)c2ncccc2n1
Show InChI InChI=1S/C17H17N5O/c18-13-4-1-3-12(11-13)16-20-14-5-2-6-19-15(14)17(21-16)22-7-9-23-10-8-22/h1-6,11H,7-10,18H2
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n/an/a 150n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) after 1 hr by TR-FRET assay


J Med Chem 57: 613-31 (2014)


Article DOI: 10.1021/jm401138v
BindingDB Entry DOI: 10.7270/Q2G44T8C
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 150n/an/an/an/an/an/a



Universit£ de Nantes

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110gamma by fluorescence based immunoassay


Eur J Med Chem 57: 225-33 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.001
BindingDB Entry DOI: 10.7270/Q2RF5W4C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50495507
PNG
(CHEMBL3109145)
Show SMILES O=C(Nc1ccncc1)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2ncccc2n1
Show InChI InChI=1S/C23H21N7O2/c31-23(27-18-7-10-24-11-8-18)26-17-5-3-16(4-6-17)21-28-19-2-1-9-25-20(19)22(29-21)30-12-14-32-15-13-30/h1-11H,12-15H2,(H2,24,26,27,31)
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n/an/a 153n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin) after 1 hr by TR-FRET assay


J Med Chem 57: 613-31 (2014)


Article DOI: 10.1021/jm401138v
BindingDB Entry DOI: 10.7270/Q2G44T8C
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50495485
PNG
(CHEMBL3109143)
Show SMILES Oc1cccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3ncccc3n2)c1
Show InChI InChI=1S/C24H22N6O3/c31-19-4-1-3-18(15-19)27-24(32)26-17-8-6-16(7-9-17)22-28-20-5-2-10-25-21(20)23(29-22)30-11-13-33-14-12-30/h1-10,15,31H,11-14H2,(H2,26,27,32)
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n/an/a 171n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) after 1 hr by TR-FRET assay


J Med Chem 57: 613-31 (2014)


Article DOI: 10.1021/jm401138v
BindingDB Entry DOI: 10.7270/Q2G44T8C
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50495514
PNG
(CHEMBL3109126)
Show SMILES OCc1cccc(c1)-c1nc(N2CCOCC2)c2ncccc2n1
Show InChI InChI=1S/C18H18N4O2/c23-12-13-3-1-4-14(11-13)17-20-15-5-2-6-19-16(15)18(21-17)22-7-9-24-10-8-22/h1-6,11,23H,7-10,12H2
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n/an/a 183n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin) after 1 hr by TR-FRET assay


J Med Chem 57: 613-31 (2014)


Article DOI: 10.1021/jm401138v
BindingDB Entry DOI: 10.7270/Q2G44T8C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM7533
PNG
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1
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n/an/a 200n/an/an/an/an/an/a



Universit£ de Nantes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/P25 using myelin basic protein substrate


Eur J Med Chem 57: 225-33 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.001
BindingDB Entry DOI: 10.7270/Q2RF5W4C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50495499
PNG
(CHEMBL3109140)
Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2ncccc2n1
Show InChI InChI=1S/C19H20N6O2/c1-20-19(26)22-14-6-4-13(5-7-14)17-23-15-3-2-8-21-16(15)18(24-17)25-9-11-27-12-10-25/h2-8H,9-12H2,1H3,(H2,20,22,26)
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n/an/a 227n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin) after 1 hr by TR-FRET assay


J Med Chem 57: 613-31 (2014)


Article DOI: 10.1021/jm401138v
BindingDB Entry DOI: 10.7270/Q2G44T8C
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50495486
PNG
(CHEMBL3109144)
Show SMILES Oc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3ncccc3n2)cc1
Show InChI InChI=1S/C24H22N6O3/c31-19-9-7-18(8-10-19)27-24(32)26-17-5-3-16(4-6-17)22-28-20-2-1-11-25-21(20)23(29-22)30-12-14-33-15-13-30/h1-11,31H,12-15H2,(H2,26,27,32)
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n/an/a 264n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin) after 1 hr by TR-FRET assay


J Med Chem 57: 613-31 (2014)


Article DOI: 10.1021/jm401138v
BindingDB Entry DOI: 10.7270/Q2G44T8C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50495501
PNG
(CHEMBL3109133)
Show SMILES Nc1ccc(cn1)-c1nc(N2CCOCC2)c2ncccc2n1
Show InChI InChI=1S/C16H16N6O/c17-13-4-3-11(10-19-13)15-20-12-2-1-5-18-14(12)16(21-15)22-6-8-23-9-7-22/h1-5,10H,6-9H2,(H2,17,19)
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n/an/a 266n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of mTOR (unknown origin) after 2 hrs by TR-FRET assay


J Med Chem 57: 613-31 (2014)


Article DOI: 10.1021/jm401138v
BindingDB Entry DOI: 10.7270/Q2G44T8C
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50495495
PNG
(CHEMBL3109138)
Show SMILES OCc1cccc(c1)-c1nc(N2CCOCC2)c2cccnc2n1
Show InChI InChI=1S/C18H18N4O2/c23-12-13-3-1-4-14(11-13)16-20-17-15(5-2-6-19-17)18(21-16)22-7-9-24-10-8-22/h1-6,11,23H,7-10,12H2
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n/an/a 268n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) after 1 hr by TR-FRET assay


J Med Chem 57: 613-31 (2014)


Article DOI: 10.1021/jm401138v
BindingDB Entry DOI: 10.7270/Q2G44T8C
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50391185
PNG
(CHEMBL2088663)
Show SMILES Cc1n[nH]c(=O)c2n(Cc3cccc(c3)C#N)c3ccc(Br)cc3c12
Show InChI InChI=1S/C19H13BrN4O/c1-11-17-15-8-14(20)5-6-16(15)24(18(17)19(25)23-22-11)10-13-4-2-3-12(7-13)9-21/h2-8H,10H2,1H3,(H,23,25)
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n/an/a 295n/an/an/an/an/an/a



Universit£ de Nantes

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110gamma by fluorescence based immunoassay


Eur J Med Chem 57: 225-33 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.001
BindingDB Entry DOI: 10.7270/Q2RF5W4C
More data for this
Ligand-Target Pair
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