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10 similar compounds to monomer 50358204

Wt: 504.6
BDBM50315907
Purchase
Wt: 399.4
BDBM50315909
Wt: 413.4
BDBM50315912
Wt: 490.6
BDBM50312606
Wt: 484.5
BDBM50358203
Wt: 483.5
BDBM50358205
Wt: 497.6
BDBM50358206
Wt: 511.6
BDBM50358207
Wt: 498.6
BDBM50358208
Purchase
Wt: 512.6
BDBM50358209

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 56 hits for monomerid = 50315907,50315909,50315912,50312606,50358203,50358205,50358206,50358207,50358208,50358209   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM50358203
PNG
(CHEMBL1922093)
Show SMILES Cc1c(CN2CCN(CC2)C(=O)CO)sc2c(nc(nc12)-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C22H28N8O3S/c1-14-16(12-28-2-4-29(5-3-28)17(32)13-31)34-19-18(14)26-20(15-10-24-22(23)25-11-15)27-21(19)30-6-8-33-9-7-30/h10-11,31H,2-9,12-13H2,1H3,(H2,23,24,25)
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2.80n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PI3K subunit p110alpha assessed as formation of phosphatidylinositide-3-phosphate product formation after 30 mins by fluorescence polar...


J Med Chem 54: 7579-87 (2011)

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


(Homo sapiens (human))
BDBM50358206
PNG
(CHEMBL1922091)
Show SMILES C[C@H](N)C(=O)N1CCN(Cc2sc3c(nc(nc3c2C)-c2cnc(N)nc2)N2CCOCC2)CC1
Show InChI InChI=1S/C23H31N9O2S/c1-14-17(13-30-3-5-32(6-4-30)22(33)15(2)24)35-19-18(14)28-20(16-11-26-23(25)27-12-16)29-21(19)31-7-9-34-10-8-31/h11-12,15H,3-10,13,24H2,1-2H3,(H2,25,26,27)/t15-/m0/s1
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6.30n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mTOR expressed in insect cells assessed as phosphorylation of recombinant (GFP)-4-EBP1 measured after 30 mins by fluo...


J Med Chem 54: 7579-87 (2011)

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


(Homo sapiens (human))
BDBM50358205
PNG
(CHEMBL1922090)
Show SMILES Cc1c(CN2CCN(CC2)C(=O)CN)sc2c(nc(nc12)-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C22H29N9O2S/c1-14-16(13-29-2-4-30(5-3-29)17(32)10-23)34-19-18(14)27-20(15-11-25-22(24)26-12-15)28-21(19)31-6-8-33-9-7-31/h11-12H,2-10,13,23H2,1H3,(H2,24,25,26)
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12n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mTOR expressed in insect cells assessed as phosphorylation of recombinant (GFP)-4-EBP1 measured after 30 mins by fluo...


J Med Chem 54: 7579-87 (2011)

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


(Homo sapiens (human))
BDBM50358207
PNG
(CHEMBL1922092)
Show SMILES Cc1c(CN2CCN(CC2)C(=O)C(C)(C)N)sc2c(nc(nc12)-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C24H33N9O2S/c1-15-17(14-31-4-6-33(7-5-31)22(34)24(2,3)26)36-19-18(15)29-20(16-12-27-23(25)28-13-16)30-21(19)32-8-10-35-11-9-32/h12-13H,4-11,14,26H2,1-3H3,(H2,25,27,28)
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14n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mTOR expressed in insect cells assessed as phosphorylation of recombinant (GFP)-4-EBP1 measured after 30 mins by fluo...


J Med Chem 54: 7579-87 (2011)

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


(Homo sapiens (human))
BDBM50358209
PNG
(CHEMBL1922095)
Show SMILES Cc1c(CN2CCN(CC2)C(=O)C(C)(C)O)sc2c(nc(nc12)-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C24H32N8O3S/c1-15-17(14-30-4-6-32(7-5-30)22(33)24(2,3)34)36-19-18(15)28-20(16-12-26-23(25)27-13-16)29-21(19)31-8-10-35-11-9-31/h12-13,34H,4-11,14H2,1-3H3,(H2,25,26,27)
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14n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mTOR expressed in insect cells assessed as phosphorylation of recombinant (GFP)-4-EBP1 measured after 30 mins by fluo...


J Med Chem 54: 7579-87 (2011)

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


(Homo sapiens (human))
BDBM50315907
PNG
(5-(7-methyl-6-((4-(methylsulfonyl)piperazin-1-yl)m...)
Show SMILES Cc1c(CN2CCN(CC2)S(C)(=O)=O)sc2c(nc(nc12)-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C21H28N8O3S2/c1-14-16(13-27-3-5-29(6-4-27)34(2,30)31)33-18-17(14)25-19(15-11-23-21(22)24-12-15)26-20(18)28-7-9-32-10-8-28/h11-12H,3-10,13H2,1-2H3,(H2,22,23,24)
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21n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mTOR assessed as reduction in GFP-4EBP1 phosphorylation after 30 mins by FRET assay


Bioorg Med Chem Lett 20: 2408-11 (2010)

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


(Homo sapiens (human))
BDBM50315907
PNG
(5-(7-methyl-6-((4-(methylsulfonyl)piperazin-1-yl)m...)
Show SMILES Cc1c(CN2CCN(CC2)S(C)(=O)=O)sc2c(nc(nc12)-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C21H28N8O3S2/c1-14-16(13-27-3-5-29(6-4-27)34(2,30)31)33-18-17(14)25-19(15-11-23-21(22)24-12-15)26-20(18)28-7-9-32-10-8-28/h11-12H,3-10,13H2,1-2H3,(H2,22,23,24)
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21n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mTOR expressed in insect cells assessed as phosphorylation of recombinant (GFP)-4-EBP1 measured after 30 mins by fluo...


J Med Chem 54: 7579-87 (2011)

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


(Homo sapiens (human))
BDBM50312606
PNG
(5-(6-((4-(methylsulfonyl)piperazin-1-yl)methyl)-4-...)
Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cnc(N)nc2)CC1
Show InChI InChI=1S/C20H26N8O3S2/c1-33(29,30)28-4-2-26(3-5-28)13-15-10-16-17(32-15)19(27-6-8-31-9-7-27)25-18(24-16)14-11-22-20(21)23-12-14/h10-12H,2-9,13H2,1H3,(H2,21,22,23)
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29n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mTOR assessed as reduction in GFP-4EBP1 phosphorylation after 30 mins by FRET assay


Bioorg Med Chem Lett 20: 2408-11 (2010)

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


(Homo sapiens (human))
BDBM50312606
PNG
(5-(6-((4-(methylsulfonyl)piperazin-1-yl)methyl)-4-...)
Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cnc(N)nc2)CC1
Show InChI InChI=1S/C20H26N8O3S2/c1-33(29,30)28-4-2-26(3-5-28)13-15-10-16-17(32-15)19(27-6-8-31-9-7-27)25-18(24-16)14-11-22-20(21)23-12-14/h10-12H,2-9,13H2,1H3,(H2,21,22,23)
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29n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mTOR expressed in insect cells assessed as phosphorylation of recombinant (GFP)-4-EBP1 measured after 30 mins by fluo...


J Med Chem 54: 7579-87 (2011)

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


(Homo sapiens (human))
BDBM50315912
PNG
(CHEMBL1091979 | N-((2-(2-aminopyrimidin-5-yl)-7-me...)
Show SMILES CN(Cc1sc2c(nc(nc2c1C)-c1cnc(N)nc1)N1CCOCC1)C(C)=O
Show InChI InChI=1S/C19H23N7O2S/c1-11-14(10-25(3)12(2)27)29-16-15(11)23-17(13-8-21-19(20)22-9-13)24-18(16)26-4-6-28-7-5-26/h8-9H,4-7,10H2,1-3H3,(H2,20,21,22)
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30n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mTOR assessed as reduction in GFP-4EBP1 phosphorylation after 30 mins by FRET assay


Bioorg Med Chem Lett 20: 2408-11 (2010)

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


(Homo sapiens (human))
BDBM50315909
PNG
(CHEMBL1090599 | N-((2-(2-aminopyrimidin-5-yl)-4-mo...)
Show SMILES CN(Cc1cc2nc(nc(N3CCOCC3)c2s1)-c1cnc(N)nc1)C(C)=O
Show InChI InChI=1S/C18H21N7O2S/c1-11(26)24(2)10-13-7-14-15(28-13)17(25-3-5-27-6-4-25)23-16(22-14)12-8-20-18(19)21-9-12/h7-9H,3-6,10H2,1-2H3,(H2,19,20,21)
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50n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mTOR assessed as reduction in GFP-4EBP1 phosphorylation after 30 mins by FRET assay


Bioorg Med Chem Lett 20: 2408-11 (2010)

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


(Homo sapiens (human))
BDBM50315907
PNG
(5-(7-methyl-6-((4-(methylsulfonyl)piperazin-1-yl)m...)
Show SMILES Cc1c(CN2CCN(CC2)S(C)(=O)=O)sc2c(nc(nc12)-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C21H28N8O3S2/c1-14-16(13-27-3-5-29(6-4-27)34(2,30)31)33-18-17(14)25-19(15-11-23-21(22)24-12-15)26-20(18)28-7-9-32-10-8-28/h11-12H,3-10,13H2,1-2H3,(H2,22,23,24)
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PubMed
n/an/a 15n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma


Bioorg Med Chem Lett 20: 2408-11 (2010)

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


(Homo sapiens (human))
BDBM50312606
PNG
(5-(6-((4-(methylsulfonyl)piperazin-1-yl)methyl)-4-...)
Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cnc(N)nc2)CC1
Show InChI InChI=1S/C20H26N8O3S2/c1-33(29,30)28-4-2-26(3-5-28)13-15-10-16-17(32-15)19(27-6-8-31-9-7-27)25-18(24-16)14-11-22-20(21)23-12-14/h10-12H,2-9,13H2,1H3,(H2,21,22,23)
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n/an/a 2n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha assessed as reduction in 3,4,5-inositoltriphosphate accumulation after 30 mins by fluorescence polarization assay


Bioorg Med Chem Lett 20: 2408-11 (2010)

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


(Homo sapiens (human))
BDBM50315909
PNG
(CHEMBL1090599 | N-((2-(2-aminopyrimidin-5-yl)-4-mo...)
Show SMILES CN(Cc1cc2nc(nc(N3CCOCC3)c2s1)-c1cnc(N)nc1)C(C)=O
Show InChI InChI=1S/C18H21N7O2S/c1-11(26)24(2)10-13-7-14-15(28-13)17(25-3-5-27-6-4-25)23-16(22-14)12-8-20-18(19)21-9-12/h7-9H,3-6,10H2,1-2H3,(H2,19,20,21)
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n/an/a 5n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha assessed as reduction in 3,4,5-inositoltriphosphate accumulation after 30 mins by fluorescence polarization assay


Bioorg Med Chem Lett 20: 2408-11 (2010)

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


(Homo sapiens (human))
BDBM50315907
PNG
(5-(7-methyl-6-((4-(methylsulfonyl)piperazin-1-yl)m...)
Show SMILES Cc1c(CN2CCN(CC2)S(C)(=O)=O)sc2c(nc(nc12)-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C21H28N8O3S2/c1-14-16(13-27-3-5-29(6-4-27)34(2,30)31)33-18-17(14)25-19(15-11-23-21(22)24-12-15)26-20(18)28-7-9-32-10-8-28/h11-12H,3-10,13H2,1-2H3,(H2,22,23,24)
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n/an/a 4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha assessed as reduction in 3,4,5-inositoltriphosphate accumulation after 30 mins by fluorescence polarization assay


Bioorg Med Chem Lett 20: 2408-11 (2010)

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


(Homo sapiens (human))
BDBM50315912
PNG
(CHEMBL1091979 | N-((2-(2-aminopyrimidin-5-yl)-7-me...)
Show SMILES CN(Cc1sc2c(nc(nc2c1C)-c1cnc(N)nc1)N1CCOCC1)C(C)=O
Show InChI InChI=1S/C19H23N7O2S/c1-11-14(10-25(3)12(2)27)29-16-15(11)23-17(13-8-21-19(20)22-9-13)24-18(16)26-4-6-28-7-5-26/h8-9H,4-7,10H2,1-3H3,(H2,20,21,22)
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n/an/a 3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha assessed as reduction in 3,4,5-inositoltriphosphate accumulation after 30 mins by fluorescence polarization assay


Bioorg Med Chem Lett 20: 2408-11 (2010)

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


(Homo sapiens (human))
BDBM50358203
PNG
(CHEMBL1922093)
Show SMILES Cc1c(CN2CCN(CC2)C(=O)CO)sc2c(nc(nc12)-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C22H28N8O3S/c1-14-16(12-28-2-4-29(5-3-28)17(32)13-31)34-19-18(14)26-20(15-10-24-22(23)25-11-15)27-21(19)30-6-8-33-9-7-30/h10-11,31H,2-9,12-13H2,1H3,(H2,23,24,25)
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n/an/a 19n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PI3K subunit p110beta assessed as formation of phosphatidylinositide-3-phosphate product formation after 30 mins by fluorescence polari...


J Med Chem 54: 7579-87 (2011)

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


(Homo sapiens (human))
BDBM50358203
PNG
(CHEMBL1922093)
Show SMILES Cc1c(CN2CCN(CC2)C(=O)CO)sc2c(nc(nc12)-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C22H28N8O3S/c1-14-16(12-28-2-4-29(5-3-28)17(32)13-31)34-19-18(14)26-20(15-10-24-22(23)25-11-15)27-21(19)30-6-8-33-9-7-30/h10-11,31H,2-9,12-13H2,1H3,(H2,23,24,25)
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n/an/a 5.60n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PI3K subunit p110delta assessed as formation of phosphatidylinositide-3-phosphate product formation after 30 mins by fluorescence polar...


J Med Chem 54: 7579-87 (2011)

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


(Homo sapiens (human))
BDBM50358203
PNG
(CHEMBL1922093)
Show SMILES Cc1c(CN2CCN(CC2)C(=O)CO)sc2c(nc(nc12)-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C22H28N8O3S/c1-14-16(12-28-2-4-29(5-3-28)17(32)13-31)34-19-18(14)26-20(15-10-24-22(23)25-11-15)27-21(19)30-6-8-33-9-7-30/h10-11,31H,2-9,12-13H2,1H3,(H2,23,24,25)
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n/an/a 10n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PI3K subunit p110gamma assessed as formation of phosphatidylinositide-3-phosphate product formation after 30 mins by fluorescence polar...


J Med Chem 54: 7579-87 (2011)

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


(Homo sapiens (human))
BDBM50312606
PNG
(5-(6-((4-(methylsulfonyl)piperazin-1-yl)methyl)-4-...)
Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cnc(N)nc2)CC1
Show InChI InChI=1S/C20H26N8O3S2/c1-33(29,30)28-4-2-26(3-5-28)13-15-10-16-17(32-15)19(27-6-8-31-9-7-27)25-18(24-16)14-11-22-20(21)23-12-14/h10-12H,2-9,13H2,1H3,(H2,21,22,23)
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n/an/a 2n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PI3K subunit p110alpha assessed as formation of phosphatidylinositide-3-phosphate product formation after 30 mins by fluorescence polar...


J Med Chem 54: 7579-87 (2011)

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


(Homo sapiens (human))
BDBM50315907
PNG
(5-(7-methyl-6-((4-(methylsulfonyl)piperazin-1-yl)m...)
Show SMILES Cc1c(CN2CCN(CC2)S(C)(=O)=O)sc2c(nc(nc12)-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C21H28N8O3S2/c1-14-16(13-27-3-5-29(6-4-27)34(2,30)31)33-18-17(14)25-19(15-11-23-21(22)24-12-15)26-20(18)28-7-9-32-10-8-28/h11-12H,3-10,13H2,1-2H3,(H2,22,23,24)
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n/an/a 4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PI3K subunit p110alpha assessed as formation of phosphatidylinositide-3-phosphate product formation after 30 mins by fluorescence polar...


J Med Chem 54: 7579-87 (2011)

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


(Homo sapiens (human))
BDBM50358205
PNG
(CHEMBL1922090)
Show SMILES Cc1c(CN2CCN(CC2)C(=O)CN)sc2c(nc(nc12)-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C22H29N9O2S/c1-14-16(13-29-2-4-30(5-3-29)17(32)10-23)34-19-18(14)27-20(15-11-25-22(24)26-12-15)28-21(19)31-6-8-33-9-7-31/h11-12H,2-10,13,23H2,1H3,(H2,24,25,26)
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n/an/a 0.700n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PI3K subunit p110alpha assessed as formation of phosphatidylinositide-3-phosphate product formation after 30 mins by fluorescence polar...


J Med Chem 54: 7579-87 (2011)

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


(Homo sapiens (human))
BDBM50358206
PNG
(CHEMBL1922091)
Show SMILES C[C@H](N)C(=O)N1CCN(Cc2sc3c(nc(nc3c2C)-c2cnc(N)nc2)N2CCOCC2)CC1
Show InChI InChI=1S/C23H31N9O2S/c1-14-17(13-30-3-5-32(6-4-30)22(33)15(2)24)35-19-18(14)28-20(16-11-26-23(25)27-12-16)29-21(19)31-7-9-34-10-8-31/h11-12,15H,3-10,13,24H2,1-2H3,(H2,25,26,27)/t15-/m0/s1
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n/an/a 2.10n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PI3K subunit p110alpha assessed as formation of phosphatidylinositide-3-phosphate product formation after 30 mins by fluorescence polar...


J Med Chem 54: 7579-87 (2011)

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


(Homo sapiens (human))
BDBM50358207
PNG
(CHEMBL1922092)
Show SMILES Cc1c(CN2CCN(CC2)C(=O)C(C)(C)N)sc2c(nc(nc12)-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C24H33N9O2S/c1-15-17(14-31-4-6-33(7-5-31)22(34)24(2,3)26)36-19-18(15)29-20(16-12-27-23(25)28-13-16)30-21(19)32-8-10-35-11-9-32/h12-13H,4-11,14,26H2,1-3H3,(H2,25,27,28)
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n/an/a 1n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PI3K subunit p110alpha assessed as formation of phosphatidylinositide-3-phosphate product formation after 30 mins by fluorescence polar...


J Med Chem 54: 7579-87 (2011)

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


(Homo sapiens (human))
BDBM50358208
PNG
(CHEMBL1921986)
Show SMILES C[C@@H](O)C(=O)N1CCN(Cc2sc3c(nc(nc3c2C)-c2cnc(N)nc2)N2CCOCC2)CC1
Show InChI InChI=1S/C23H30N8O3S/c1-14-17(13-29-3-5-31(6-4-29)22(33)15(2)32)35-19-18(14)27-20(16-11-25-23(24)26-12-16)28-21(19)30-7-9-34-10-8-30/h11-12,15,32H,3-10,13H2,1-2H3,(H2,24,25,26)/t15-/m1/s1
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n/an/a 8.70n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PI3K subunit p110alpha assessed as formation of phosphatidylinositide-3-phosphate product formation after 30 mins by fluorescence polar...


J Med Chem 54: 7579-87 (2011)

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


(Homo sapiens (human))
BDBM50358209
PNG
(CHEMBL1922095)
Show SMILES Cc1c(CN2CCN(CC2)C(=O)C(C)(C)O)sc2c(nc(nc12)-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C24H32N8O3S/c1-15-17(14-30-4-6-32(7-5-30)22(33)24(2,3)34)36-19-18(15)28-20(16-12-26-23(25)27-13-16)29-21(19)31-8-10-35-11-9-31/h12-13,34H,4-11,14H2,1-3H3,(H2,25,26,27)
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n/an/a 1.70n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PI3K subunit p110alpha assessed as formation of phosphatidylinositide-3-phosphate product formation after 30 mins by fluorescence polar...


J Med Chem 54: 7579-87 (2011)

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


(Homo sapiens (human))
BDBM50358205
PNG
(CHEMBL1922090)
Show SMILES Cc1c(CN2CCN(CC2)C(=O)CN)sc2c(nc(nc12)-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C22H29N9O2S/c1-14-16(13-29-2-4-30(5-3-29)17(32)10-23)34-19-18(14)27-20(15-11-25-22(24)26-12-15)28-21(19)31-6-8-33-9-7-31/h11-12H,2-10,13,23H2,1H3,(H2,24,25,26)
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n/an/a 11n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PI3K subunit p110beta assessed as formation of phosphatidylinositide-3-phosphate product formation after 30 mins by fluorescence polari...


J Med Chem 54: 7579-87 (2011)

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


(Homo sapiens (human))
BDBM50358206
PNG
(CHEMBL1922091)
Show SMILES C[C@H](N)C(=O)N1CCN(Cc2sc3c(nc(nc3c2C)-c2cnc(N)nc2)N2CCOCC2)CC1
Show InChI InChI=1S/C23H31N9O2S/c1-14-17(13-30-3-5-32(6-4-30)22(33)15(2)24)35-19-18(14)28-20(16-11-26-23(25)27-12-16)29-21(19)31-7-9-34-10-8-31/h11-12,15H,3-10,13,24H2,1-2H3,(H2,25,26,27)/t15-/m0/s1
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n/an/a 29n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PI3K subunit p110beta assessed as formation of phosphatidylinositide-3-phosphate product formation after 30 mins by fluorescence polari...


J Med Chem 54: 7579-87 (2011)

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


(Homo sapiens (human))
BDBM50358207
PNG
(CHEMBL1922092)
Show SMILES Cc1c(CN2CCN(CC2)C(=O)C(C)(C)N)sc2c(nc(nc12)-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C24H33N9O2S/c1-15-17(14-31-4-6-33(7-5-31)22(34)24(2,3)26)36-19-18(15)29-20(16-12-27-23(25)28-13-16)30-21(19)32-8-10-35-11-9-32/h12-13H,4-11,14,26H2,1-3H3,(H2,25,27,28)
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n/an/a 44n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PI3K subunit p110beta assessed as formation of phosphatidylinositide-3-phosphate product formation after 30 mins by fluorescence polari...


J Med Chem 54: 7579-87 (2011)

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


(Homo sapiens (human))
BDBM50358208
PNG
(CHEMBL1921986)
Show SMILES C[C@@H](O)C(=O)N1CCN(Cc2sc3c(nc(nc3c2C)-c2cnc(N)nc2)N2CCOCC2)CC1
Show InChI InChI=1S/C23H30N8O3S/c1-14-17(13-29-3-5-31(6-4-29)22(33)15(2)32)35-19-18(14)27-20(16-11-25-23(24)26-12-16)28-21(19)30-7-9-34-10-8-30/h11-12,15,32H,3-10,13H2,1-2H3,(H2,24,25,26)/t15-/m1/s1
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n/an/a 145n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PI3K subunit p110beta assessed as formation of phosphatidylinositide-3-phosphate product formation after 30 mins by fluorescence polari...


J Med Chem 54: 7579-87 (2011)

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


(Homo sapiens (human))
BDBM50358209
PNG
(CHEMBL1922095)
Show SMILES Cc1c(CN2CCN(CC2)C(=O)C(C)(C)O)sc2c(nc(nc12)-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C24H32N8O3S/c1-15-17(14-30-4-6-32(7-5-30)22(33)24(2,3)34)36-19-18(15)28-20(16-12-26-23(25)27-13-16)29-21(19)31-8-10-35-11-9-31/h12-13,34H,4-11,14H2,1-3H3,(H2,25,26,27)
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n/an/a 45n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PI3K subunit p110beta assessed as formation of phosphatidylinositide-3-phosphate product formation after 30 mins by fluorescence polari...


J Med Chem 54: 7579-87 (2011)

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


(Homo sapiens (human))
BDBM50358205
PNG
(CHEMBL1922090)
Show SMILES Cc1c(CN2CCN(CC2)C(=O)CN)sc2c(nc(nc12)-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C22H29N9O2S/c1-14-16(13-29-2-4-30(5-3-29)17(32)10-23)34-19-18(14)27-20(15-11-25-22(24)26-12-15)28-21(19)31-6-8-33-9-7-31/h11-12H,2-10,13,23H2,1H3,(H2,24,25,26)
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n/an/a 4.30n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PI3K subunit p110delta assessed as formation of phosphatidylinositide-3-phosphate product formation after 30 mins by fluorescence polar...


J Med Chem 54: 7579-87 (2011)

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


(Homo sapiens (human))
BDBM50358206
PNG
(CHEMBL1922091)
Show SMILES C[C@H](N)C(=O)N1CCN(Cc2sc3c(nc(nc3c2C)-c2cnc(N)nc2)N2CCOCC2)CC1
Show InChI InChI=1S/C23H31N9O2S/c1-14-17(13-30-3-5-32(6-4-30)22(33)15(2)24)35-19-18(14)28-20(16-11-26-23(25)27-12-16)29-21(19)31-7-9-34-10-8-31/h11-12,15H,3-10,13,24H2,1-2H3,(H2,25,26,27)/t15-/m0/s1
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n/an/a 2.40n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PI3K subunit p110delta assessed as formation of phosphatidylinositide-3-phosphate product formation after 30 mins by fluorescence polar...


J Med Chem 54: 7579-87 (2011)

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


(Homo sapiens (human))
BDBM50358207
PNG
(CHEMBL1922092)
Show SMILES Cc1c(CN2CCN(CC2)C(=O)C(C)(C)N)sc2c(nc(nc12)-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C24H33N9O2S/c1-15-17(14-31-4-6-33(7-5-31)22(34)24(2,3)26)36-19-18(15)29-20(16-12-27-23(25)28-13-16)30-21(19)32-8-10-35-11-9-32/h12-13H,4-11,14,26H2,1-3H3,(H2,25,27,28)
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n/an/a 1.5n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PI3K subunit p110delta assessed as formation of phosphatidylinositide-3-phosphate product formation after 30 mins by fluorescence polar...


J Med Chem 54: 7579-87 (2011)

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


(Homo sapiens (human))
BDBM50358208
PNG
(CHEMBL1921986)
Show SMILES C[C@@H](O)C(=O)N1CCN(Cc2sc3c(nc(nc3c2C)-c2cnc(N)nc2)N2CCOCC2)CC1
Show InChI InChI=1S/C23H30N8O3S/c1-14-17(13-29-3-5-31(6-4-29)22(33)15(2)32)35-19-18(14)27-20(16-11-25-23(24)26-12-16)28-21(19)30-7-9-34-10-8-30/h11-12,15,32H,3-10,13H2,1-2H3,(H2,24,25,26)/t15-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PI3K subunit p110delta assessed as formation of phosphatidylinositide-3-phosphate product formation after 30 mins by fluorescence polar...


J Med Chem 54: 7579-87 (2011)

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


(Homo sapiens (human))
BDBM50358209
PNG
(CHEMBL1922095)
Show SMILES Cc1c(CN2CCN(CC2)C(=O)C(C)(C)O)sc2c(nc(nc12)-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C24H32N8O3S/c1-15-17(14-30-4-6-32(7-5-30)22(33)24(2,3)34)36-19-18(15)28-20(16-12-26-23(25)27-13-16)29-21(19)31-8-10-35-11-9-31/h12-13,34H,4-11,14H2,1-3H3,(H2,25,26,27)
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n/an/a 5n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PI3K subunit p110delta assessed as formation of phosphatidylinositide-3-phosphate product formation after 30 mins by fluorescence polar...


J Med Chem 54: 7579-87 (2011)

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


(Homo sapiens (human))
BDBM50358205
PNG
(CHEMBL1922090)
Show SMILES Cc1c(CN2CCN(CC2)C(=O)CN)sc2c(nc(nc12)-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C22H29N9O2S/c1-14-16(13-29-2-4-30(5-3-29)17(32)10-23)34-19-18(14)27-20(15-11-25-22(24)26-12-15)28-21(19)31-6-8-33-9-7-31/h11-12H,2-10,13,23H2,1H3,(H2,24,25,26)
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n/an/a 17n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PI3K subunit p110gamma assessed as formation of phosphatidylinositide-3-phosphate product formation after 30 mins by fluorescence polar...


J Med Chem 54: 7579-87 (2011)

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


(Homo sapiens (human))
BDBM50358206
PNG
(CHEMBL1922091)
Show SMILES C[C@H](N)C(=O)N1CCN(Cc2sc3c(nc(nc3c2C)-c2cnc(N)nc2)N2CCOCC2)CC1
Show InChI InChI=1S/C23H31N9O2S/c1-14-17(13-30-3-5-32(6-4-30)22(33)15(2)24)35-19-18(14)28-20(16-11-26-23(25)27-12-16)29-21(19)31-7-9-34-10-8-31/h11-12,15H,3-10,13,24H2,1-2H3,(H2,25,26,27)/t15-/m0/s1
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PubMed
n/an/a 37n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PI3K subunit p110gamma assessed as formation of phosphatidylinositide-3-phosphate product formation after 30 mins by fluorescence polar...


J Med Chem 54: 7579-87 (2011)

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


(Homo sapiens (human))
BDBM50358207
PNG
(CHEMBL1922092)
Show SMILES Cc1c(CN2CCN(CC2)C(=O)C(C)(C)N)sc2c(nc(nc12)-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C24H33N9O2S/c1-15-17(14-31-4-6-33(7-5-31)22(34)24(2,3)26)36-19-18(15)29-20(16-12-27-23(25)28-13-16)30-21(19)32-8-10-35-11-9-32/h12-13H,4-11,14,26H2,1-3H3,(H2,25,27,28)
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PubMed
n/an/a 20n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PI3K subunit p110gamma assessed as formation of phosphatidylinositide-3-phosphate product formation after 30 mins by fluorescence polar...


J Med Chem 54: 7579-87 (2011)

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


(Homo sapiens (human))
BDBM50358208
PNG
(CHEMBL1921986)
Show SMILES C[C@@H](O)C(=O)N1CCN(Cc2sc3c(nc(nc3c2C)-c2cnc(N)nc2)N2CCOCC2)CC1
Show InChI InChI=1S/C23H30N8O3S/c1-14-17(13-29-3-5-31(6-4-29)22(33)15(2)32)35-19-18(14)27-20(16-11-25-23(24)26-12-16)28-21(19)30-7-9-34-10-8-30/h11-12,15,32H,3-10,13H2,1-2H3,(H2,24,25,26)/t15-/m1/s1
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PubMed
n/an/a 33n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PI3K subunit p110gamma assessed as formation of phosphatidylinositide-3-phosphate product formation after 30 mins by fluorescence polar...


J Med Chem 54: 7579-87 (2011)

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


(Homo sapiens (human))
BDBM50358209
PNG
(CHEMBL1922095)
Show SMILES Cc1c(CN2CCN(CC2)C(=O)C(C)(C)O)sc2c(nc(nc12)-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C24H32N8O3S/c1-15-17(14-30-4-6-32(7-5-30)22(33)24(2,3)34)36-19-18(15)28-20(16-12-26-23(25)27-13-16)29-21(19)31-8-10-35-11-9-31/h12-13,34H,4-11,14H2,1-3H3,(H2,25,26,27)
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PubMed
n/an/a 25n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PI3K subunit p110gamma assessed as formation of phosphatidylinositide-3-phosphate product formation after 30 mins by fluorescence polar...


J Med Chem 54: 7579-87 (2011)

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


(Homo sapiens (human))
BDBM50315907
PNG
(5-(7-methyl-6-((4-(methylsulfonyl)piperazin-1-yl)m...)
Show SMILES Cc1c(CN2CCN(CC2)S(C)(=O)=O)sc2c(nc(nc12)-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C21H28N8O3S2/c1-14-16(13-27-3-5-29(6-4-27)34(2,30)31)33-18-17(14)25-19(15-11-23-21(22)24-12-15)26-20(18)28-7-9-32-10-8-28/h11-12H,3-10,13H2,1-2H3,(H2,22,23,24)
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PubMed
n/an/a 86n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta using PIP3 as substrate after 30 mins by fluorescence polarization assay


J Med Chem 54: 7815-33 (2011)

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


(Homo sapiens (human))
BDBM50315907
PNG
(5-(7-methyl-6-((4-(methylsulfonyl)piperazin-1-yl)m...)
Show SMILES Cc1c(CN2CCN(CC2)S(C)(=O)=O)sc2c(nc(nc12)-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C21H28N8O3S2/c1-14-16(13-27-3-5-29(6-4-27)34(2,30)31)33-18-17(14)25-19(15-11-23-21(22)24-12-15)26-20(18)28-7-9-32-10-8-28/h11-12H,3-10,13H2,1-2H3,(H2,22,23,24)
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PubMed
n/an/a 5n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta using PIP3 as substrate after 30 mins by fluorescence polarization assay


J Med Chem 54: 7815-33 (2011)

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


(Homo sapiens (human))
BDBM50315907
PNG
(5-(7-methyl-6-((4-(methylsulfonyl)piperazin-1-yl)m...)
Show SMILES Cc1c(CN2CCN(CC2)S(C)(=O)=O)sc2c(nc(nc12)-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C21H28N8O3S2/c1-14-16(13-27-3-5-29(6-4-27)34(2,30)31)33-18-17(14)25-19(15-11-23-21(22)24-12-15)26-20(18)28-7-9-32-10-8-28/h11-12H,3-10,13H2,1-2H3,(H2,22,23,24)
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PubMed
n/an/a 15n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma using PIP3 as substrate after 30 mins by fluorescence polarization assay


J Med Chem 54: 7815-33 (2011)

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


(Homo sapiens (human))
BDBM50315907
PNG
(5-(7-methyl-6-((4-(methylsulfonyl)piperazin-1-yl)m...)
Show SMILES Cc1c(CN2CCN(CC2)S(C)(=O)=O)sc2c(nc(nc12)-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C21H28N8O3S2/c1-14-16(13-27-3-5-29(6-4-27)34(2,30)31)33-18-17(14)25-19(15-11-23-21(22)24-12-15)26-20(18)28-7-9-32-10-8-28/h11-12H,3-10,13H2,1-2H3,(H2,22,23,24)
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PubMed
n/an/a 6n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta


Bioorg Med Chem Lett 20: 2408-11 (2010)

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


(Homo sapiens (human))
BDBM50315907
PNG
(5-(7-methyl-6-((4-(methylsulfonyl)piperazin-1-yl)m...)
Show SMILES Cc1c(CN2CCN(CC2)S(C)(=O)=O)sc2c(nc(nc12)-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C21H28N8O3S2/c1-14-16(13-27-3-5-29(6-4-27)34(2,30)31)33-18-17(14)25-19(15-11-23-21(22)24-12-15)26-20(18)28-7-9-32-10-8-28/h11-12H,3-10,13H2,1-2H3,(H2,22,23,24)
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PubMed
n/an/a 86n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta


Bioorg Med Chem Lett 20: 2408-11 (2010)

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


(Homo sapiens (human))
BDBM50312606
PNG
(5-(6-((4-(methylsulfonyl)piperazin-1-yl)methyl)-4-...)
Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cnc(N)nc2)CC1
Show InChI InChI=1S/C20H26N8O3S2/c1-33(29,30)28-4-2-26(3-5-28)13-15-10-16-17(32-15)19(27-6-8-31-9-7-27)25-18(24-16)14-11-22-20(21)23-12-14/h10-12H,2-9,13H2,1H3,(H2,21,22,23)
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PubMed
n/an/a 2n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kalpha assessed as PIP3 product formation by fluorescence polarization assay


J Med Chem 53: 1086-97 (2010)

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


(Homo sapiens (human))
BDBM50312606
PNG
(5-(6-((4-(methylsulfonyl)piperazin-1-yl)methyl)-4-...)
Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cnc(N)nc2)CC1
Show InChI InChI=1S/C20H26N8O3S2/c1-33(29,30)28-4-2-26(3-5-28)13-15-10-16-17(32-15)19(27-6-8-31-9-7-27)25-18(24-16)14-11-22-20(21)23-12-14/h10-12H,2-9,13H2,1H3,(H2,21,22,23)
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PubMed
n/an/a 38n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kbeta assessed as PIP3 product formation by fluorescence polarization assay


J Med Chem 53: 1086-97 (2010)

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


(Homo sapiens (human))
BDBM50312606
PNG
(5-(6-((4-(methylsulfonyl)piperazin-1-yl)methyl)-4-...)
Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cnc(N)nc2)CC1
Show InChI InChI=1S/C20H26N8O3S2/c1-33(29,30)28-4-2-26(3-5-28)13-15-10-16-17(32-15)19(27-6-8-31-9-7-27)25-18(24-16)14-11-22-20(21)23-12-14/h10-12H,2-9,13H2,1H3,(H2,21,22,23)
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PubMed
n/an/a 29n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mTOR by FRET


J Med Chem 53: 1086-97 (2010)

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


(Homo sapiens (human))
BDBM50312606
PNG
(5-(6-((4-(methylsulfonyl)piperazin-1-yl)methyl)-4-...)
Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cnc(N)nc2)CC1
Show InChI InChI=1S/C20H26N8O3S2/c1-33(29,30)28-4-2-26(3-5-28)13-15-10-16-17(32-15)19(27-6-8-31-9-7-27)25-18(24-16)14-11-22-20(21)23-12-14/h10-12H,2-9,13H2,1H3,(H2,21,22,23)
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PubMed
n/an/a 2.40n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kdelta assessed as PIP3 product formation by fluorescence polarization assay


J Med Chem 53: 1086-97 (2010)

More data for this
Ligand-Target Pair
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