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16 similar compounds to monomer 25028

Wt: 449.5
BDBM25027
Wt: 530.6
BDBM50004526
Wt: 490.6
BDBM50312606
Wt: 489.6
BDBM50312607
Wt: 488.6
BDBM50312608
Wt: 503.6
BDBM50312609
Wt: 474.6
BDBM50312610
Wt: 474.6
BDBM50312611
Wt: 489.6
BDBM50312612
Wt: 504.6
BDBM50312614
Wt: 408.4
BDBM50312616
Wt: 473.6
BDBM50312619
Wt: 520.6
BDBM50394919
Wt: 512.6
BDBM50394920
Wt: 573.7
BDBM50426176
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 55 hits for monomerid = 25027,50004526,50312606,50312607,50312608,50312609,50312610,50312611,50312612,50312614,50312616,50312619,50394919,50394920,50426176   
Target
(Institution)
LigandTarget
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
Mammalian target of Rapamycin (mTORC1)


(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
Mammalian target of Rapamycin (mTORC1)


(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
PI3-kinase subunit delta


(Homo sapiens (human))
BDBM50394919
PNG
(CHEMBL2165503)
Show SMILES CC(C)(N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1)C(N)=O
Show InChI InChI=1S/C26H32N8O2S/c1-26(2,25(27)35)34-8-6-32(7-9-34)16-17-14-21-22(37-17)24(33-10-12-36-13-11-33)30-23(29-21)18-4-3-5-20-19(18)15-28-31-20/h3-5,14-15H,6-13,16H2,1-2H3,(H2,27,35)(H,28,31)
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n/an/a 3.10n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to PI3Kdelta after 30 mins by competitive fluorescence polarization assay


J Med Chem 55: 5887-900 (2012)

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


(Homo sapiens (human))
BDBM50394920
PNG
(CHEMBL2165672)
Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ccc23)CC1
Show InChI InChI=1S/C24H28N6O3S2/c1-35(31,32)30-9-7-28(8-10-30)16-17-15-21-22(34-17)24(29-11-13-33-14-12-29)27-23(26-21)19-3-2-4-20-18(19)5-6-25-20/h2-6,15,25H,7-14,16H2,1H3
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n/an/a 1.70n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to PI3Kdelta after 30 mins by competitive fluorescence polarization assay


J Med Chem 55: 5887-900 (2012)

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


(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 8.40n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kgamma 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 gamma


(Homo sapiens (human))
BDBM50312607
PNG
(5-(6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-...)
Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2ccc(N)nc2)CC1
Show InChI InChI=1S/C21H27N7O3S2/c1-33(29,30)28-6-4-26(5-7-28)14-16-12-17-19(32-16)21(27-8-10-31-11-9-27)25-20(24-17)15-2-3-18(22)23-13-15/h2-3,12-13H,4-11,14H2,1H3,(H2,22,23)
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n/an/a 33n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kgamma assessed as PIP3 product formation by fluorescence polarization assay


J Med Chem 53: 1086-97 (2010)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
PI3-kinase subunit gamma


(Homo sapiens (human))
BDBM50312608
PNG
(4-[6-(4-Methanesulfonyl-piperazin-1-ylmethyl)-4-mo...)
Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2ccc(N)cc2)CC1
Show InChI InChI=1S/C22H28N6O3S2/c1-33(29,30)28-8-6-26(7-9-28)15-18-14-19-20(32-18)22(27-10-12-31-13-11-27)25-21(24-19)16-2-4-17(23)5-3-16/h2-5,14H,6-13,15,23H2,1H3
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n/an/a 1.30E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kgamma 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 gamma


(Homo sapiens (human))
BDBM50312609
PNG
((3-(6-((4-(Methylsulfonyl)piperazin-1-yl)methyl)-4...)
Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc(CO)c2)CC1
Show InChI InChI=1S/C23H29N5O4S2/c1-34(30,31)28-7-5-26(6-8-28)15-19-14-20-21(33-19)23(27-9-11-32-12-10-27)25-22(24-20)18-4-2-3-17(13-18)16-29/h2-4,13-14,29H,5-12,15-16H2,1H3
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n/an/a 15n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kgamma assessed as PIP3 product formation by fluorescence polarization assay


J Med Chem 53: 1086-97 (2010)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
PI3-kinase subunit gamma


(Homo sapiens (human))
BDBM50312610
PNG
(6-(4-Methanesulfonyl-piperazin-1-ylmethyl)-4-morph...)
Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2ccncc2)CC1
Show InChI InChI=1S/C21H26N6O3S2/c1-32(28,29)27-8-6-25(7-9-27)15-17-14-18-19(31-17)21(26-10-12-30-13-11-26)24-20(23-18)16-2-4-22-5-3-16/h2-5,14H,6-13,15H2,1H3
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n/an/a 5.10E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kgamma 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 gamma


(Homo sapiens (human))
BDBM50312611
PNG
(6-(4-Methanesulfonyl-piperazin-1-ylmethyl)-4-morph...)
Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccnc2)CC1
Show InChI InChI=1S/C21H26N6O3S2/c1-32(28,29)27-7-5-25(6-8-27)15-17-13-18-19(31-17)21(26-9-11-30-12-10-26)24-20(23-18)16-3-2-4-22-14-16/h2-4,13-14H,5-12,15H2,1H3
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n/an/a 19n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kgamma 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 gamma


(Homo sapiens (human))
BDBM50312612
PNG
(3-[6-(4-Methanesulfonyl-piperazin-1-ylmethyl)-4-mo...)
Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc(O)c2)CC1
Show InChI InChI=1S/C22H27N5O4S2/c1-33(29,30)27-7-5-25(6-8-27)15-18-14-19-20(32-18)22(26-9-11-31-12-10-26)24-21(23-19)16-3-2-4-17(28)13-16/h2-4,13-14,28H,5-12,15H2,1H3
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n/an/a 20n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kgamma 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 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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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
PI3-kinase subunit delta


(Homo sapiens (human))
BDBM50312607
PNG
(5-(6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-...)
Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2ccc(N)nc2)CC1
Show InChI InChI=1S/C21H27N7O3S2/c1-33(29,30)28-6-4-26(5-7-28)14-16-12-17-19(32-16)21(27-8-10-31-11-9-27)25-20(24-17)15-2-3-18(22)23-13-15/h2-3,12-13H,4-11,14H2,1H3,(H2,22,23)
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n/an/a 6.60n/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
PI3-kinase subunit delta


(Homo sapiens (human))
BDBM50312608
PNG
(4-[6-(4-Methanesulfonyl-piperazin-1-ylmethyl)-4-mo...)
Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2ccc(N)cc2)CC1
Show InChI InChI=1S/C22H28N6O3S2/c1-33(29,30)28-8-6-26(7-9-28)15-18-14-19-20(32-18)22(27-10-12-31-13-11-27)25-21(24-19)16-2-4-17(23)5-3-16/h2-5,14H,6-13,15,23H2,1H3
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n/an/a 100n/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
PI3-kinase subunit gamma


(Homo sapiens (human))
BDBM50312614
PNG
(4-methyl-5-(6-{[4-(methylsulfonyl)piperazin-1-yl]m...)
Show SMILES Cc1nc(N)ncc1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC3)S(C)(=O)=O)cc2n1
Show InChI InChI=1S/C21H28N8O3S2/c1-14-16(12-23-21(22)24-14)19-25-17-11-15(13-27-3-5-29(6-4-27)34(2,30)31)33-18(17)20(26-19)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 5.20n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kgamma assessed as PIP3 product formation by fluorescence polarization assay


J Med Chem 53: 1086-97 (2010)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
PI3-kinase subunit delta


(Homo sapiens (human))
BDBM50312614
PNG
(4-methyl-5-(6-{[4-(methylsulfonyl)piperazin-1-yl]m...)
Show SMILES Cc1nc(N)ncc1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC3)S(C)(=O)=O)cc2n1
Show InChI InChI=1S/C21H28N8O3S2/c1-14-16(12-23-21(22)24-14)19-25-17-11-15(13-27-3-5-29(6-4-27)34(2,30)31)33-18(17)20(26-19)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 0.700n/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
PI3-kinase subunit beta


(Homo sapiens (human))
BDBM50312614
PNG
(4-methyl-5-(6-{[4-(methylsulfonyl)piperazin-1-yl]m...)
Show SMILES Cc1nc(N)ncc1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC3)S(C)(=O)=O)cc2n1
Show InChI InChI=1S/C21H28N8O3S2/c1-14-16(12-23-21(22)24-14)19-25-17-11-15(13-27-3-5-29(6-4-27)34(2,30)31)33-18(17)20(26-19)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 6.20n/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
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM50312614
PNG
(4-methyl-5-(6-{[4-(methylsulfonyl)piperazin-1-yl]m...)
Show SMILES Cc1nc(N)ncc1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC3)S(C)(=O)=O)cc2n1
Show InChI InChI=1S/C21H28N8O3S2/c1-14-16(12-23-21(22)24-14)19-25-17-11-15(13-27-3-5-29(6-4-27)34(2,30)31)33-18(17)20(26-19)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 1.10n/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
Mammalian target of Rapamycin (mTORC1)


(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 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
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50312614
PNG
(4-methyl-5-(6-{[4-(methylsulfonyl)piperazin-1-yl]m...)
Show SMILES Cc1nc(N)ncc1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC3)S(C)(=O)=O)cc2n1
Show InChI InChI=1S/C21H28N8O3S2/c1-14-16(12-23-21(22)24-14)19-25-17-11-15(13-27-3-5-29(6-4-27)34(2,30)31)33-18(17)20(26-19)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 880n/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 alpha


(Homo sapiens (human))
BDBM50312616
PNG
(2-[2-(2-Amino-4-methyl-pyrimidin-5-yl)-4-morpholin...)
Show SMILES CC(=O)NCc1cc2nc(nc(N3CCOCC3)c2s1)-c1cccc2[nH]ncc12
Show InChI InChI=1S/C20H20N6O2S/c1-12(27)21-10-13-9-17-18(29-13)20(26-5-7-28-8-6-26)24-19(23-17)14-3-2-4-16-15(14)11-22-25-16/h2-4,9,11H,5-8,10H2,1H3,(H,21,27)(H,22,25)
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n/an/a 16n/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 delta


(Homo sapiens (human))
BDBM50312609
PNG
((3-(6-((4-(Methylsulfonyl)piperazin-1-yl)methyl)-4...)
Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc(CO)c2)CC1
Show InChI InChI=1S/C23H29N5O4S2/c1-34(30,31)28-7-5-26(6-8-28)15-19-14-20-21(33-19)23(27-9-11-32-12-10-27)25-22(24-20)18-4-2-3-17(13-18)16-29/h2-4,13-14,29H,5-12,15-16H2,1H3
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n/an/a 1.40n/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
PI3-kinase subunit delta


(Homo sapiens (human))
BDBM50312610
PNG
(6-(4-Methanesulfonyl-piperazin-1-ylmethyl)-4-morph...)
Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2ccncc2)CC1
Show InChI InChI=1S/C21H26N6O3S2/c1-32(28,29)27-8-6-25(7-9-27)15-17-14-18-19(31-17)21(26-10-12-30-13-11-26)24-20(23-18)16-2-4-22-5-3-16/h2-5,14H,6-13,15H2,1H3
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n/an/a 310n/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
PI3-kinase subunit delta


(Homo sapiens (human))
BDBM50312611
PNG
(6-(4-Methanesulfonyl-piperazin-1-ylmethyl)-4-morph...)
Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccnc2)CC1
Show InChI InChI=1S/C21H26N6O3S2/c1-32(28,29)27-7-5-25(6-8-27)15-17-13-18-19(31-17)21(26-9-11-30-12-10-26)24-20(23-18)16-3-2-4-22-14-16/h2-4,13-14H,5-12,15H2,1H3
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n/an/a 12n/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
PI3-kinase subunit delta


(Homo sapiens (human))
BDBM50312612
PNG
(3-[6-(4-Methanesulfonyl-piperazin-1-ylmethyl)-4-mo...)
Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc(O)c2)CC1
Show InChI InChI=1S/C22H27N5O4S2/c1-33(29,30)27-7-5-25(6-8-27)15-18-14-19-20(32-18)22(26-9-11-31-12-10-26)24-21(23-19)16-3-2-4-17(28)13-16/h2-4,13-14,28H,5-12,15H2,1H3
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n/an/a 0.900n/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
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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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
PI3-kinase subunit beta


(Homo sapiens (human))
BDBM50312607
PNG
(5-(6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-...)
Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2ccc(N)nc2)CC1
Show InChI InChI=1S/C21H27N7O3S2/c1-33(29,30)28-6-4-26(5-7-28)14-16-12-17-19(32-16)21(27-8-10-31-11-9-27)25-20(24-17)15-2-3-18(22)23-13-15/h2-3,12-13H,4-11,14H2,1H3,(H2,22,23)
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n/an/a 60n/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
PI3-kinase subunit beta


(Homo sapiens (human))
BDBM50312608
PNG
(4-[6-(4-Methanesulfonyl-piperazin-1-ylmethyl)-4-mo...)
Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2ccc(N)cc2)CC1
Show InChI InChI=1S/C22H28N6O3S2/c1-33(29,30)28-8-6-26(7-9-28)15-18-14-19-20(32-18)22(27-10-12-31-13-11-27)25-21(24-19)16-2-4-17(23)5-3-16/h2-5,14H,6-13,15,23H2,1H3
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n/an/a 1.40E+3n/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
PI3-kinase subunit beta


(Homo sapiens (human))
BDBM50312609
PNG
((3-(6-((4-(Methylsulfonyl)piperazin-1-yl)methyl)-4...)
Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc(CO)c2)CC1
Show InChI InChI=1S/C23H29N5O4S2/c1-34(30,31)28-7-5-26(6-8-28)15-19-14-20-21(33-19)23(27-9-11-32-12-10-27)25-22(24-20)18-4-2-3-17(13-18)16-29/h2-4,13-14,29H,5-12,15-16H2,1H3
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n/an/a 14n/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
PI3-kinase subunit beta


(Homo sapiens (human))
BDBM50312610
PNG
(6-(4-Methanesulfonyl-piperazin-1-ylmethyl)-4-morph...)
Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2ccncc2)CC1
Show InChI InChI=1S/C21H26N6O3S2/c1-32(28,29)27-8-6-25(7-9-27)15-17-14-18-19(31-17)21(26-10-12-30-13-11-26)24-20(23-18)16-2-4-22-5-3-16/h2-5,14H,6-13,15H2,1H3
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n/an/a 5.40E+3n/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
PI3-kinase subunit beta


(Homo sapiens (human))
BDBM50312611
PNG
(6-(4-Methanesulfonyl-piperazin-1-ylmethyl)-4-morph...)
Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccnc2)CC1
Show InChI InChI=1S/C21H26N6O3S2/c1-32(28,29)27-7-5-25(6-8-27)15-17-13-18-19(31-17)21(26-9-11-30-12-10-26)24-20(23-18)16-3-2-4-22-14-16/h2-4,13-14H,5-12,15H2,1H3
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n/an/a 14n/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
PI3-kinase subunit beta


(Homo sapiens (human))
BDBM50312612
PNG
(3-[6-(4-Methanesulfonyl-piperazin-1-ylmethyl)-4-mo...)
Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc(O)c2)CC1
Show InChI InChI=1S/C22H27N5O4S2/c1-33(29,30)27-7-5-25(6-8-27)15-18-14-19-20(32-18)22(26-9-11-31-12-10-26)24-21(23-19)16-3-2-4-17(28)13-16/h2-4,13-14,28H,5-12,15H2,1H3
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n/an/a 11n/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
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 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 alpha


(Homo sapiens (human))
BDBM50312607
PNG
(5-(6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-...)
Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2ccc(N)nc2)CC1
Show InChI InChI=1S/C21H27N7O3S2/c1-33(29,30)28-6-4-26(5-7-28)14-16-12-17-19(32-16)21(27-8-10-31-11-9-27)25-20(24-17)15-2-3-18(22)23-13-15/h2-3,12-13H,4-11,14H2,1H3,(H2,22,23)
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n/an/a 5.5n/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 alpha


(Homo sapiens (human))
BDBM50312608
PNG
(4-[6-(4-Methanesulfonyl-piperazin-1-ylmethyl)-4-mo...)
Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2ccc(N)cc2)CC1
Show InChI InChI=1S/C22H28N6O3S2/c1-33(29,30)28-8-6-26(7-9-28)15-18-14-19-20(32-18)22(27-10-12-31-13-11-27)25-21(24-19)16-2-4-17(23)5-3-16/h2-5,14H,6-13,15,23H2,1H3
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n/an/a 240n/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 alpha


(Homo sapiens (human))
BDBM50312609
PNG
((3-(6-((4-(Methylsulfonyl)piperazin-1-yl)methyl)-4...)
Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc(CO)c2)CC1
Show InChI InChI=1S/C23H29N5O4S2/c1-34(30,31)28-7-5-26(6-8-28)15-19-14-20-21(33-19)23(27-9-11-32-12-10-27)25-22(24-20)18-4-2-3-17(13-18)16-29/h2-4,13-14,29H,5-12,15-16H2,1H3
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n/an/a 1.80n/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 alpha


(Homo sapiens (human))
BDBM50312619
PNG
((4-(6-((4-(Methylsulfonyl)piperazin-1-yl)methyl)-2...)
Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2ccccc2)CC1
Show InChI InChI=1S/C22H27N5O3S2/c1-32(28,29)27-9-7-25(8-10-27)16-18-15-19-20(31-18)22(26-11-13-30-14-12-26)24-21(23-19)17-5-3-2-4-6-17/h2-6,15H,7-14,16H2,1H3
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n/an/a 430n/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 alpha


(Homo sapiens (human))
BDBM50312610
PNG
(6-(4-Methanesulfonyl-piperazin-1-ylmethyl)-4-morph...)
Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2ccncc2)CC1
Show InChI InChI=1S/C21H26N6O3S2/c1-32(28,29)27-8-6-25(7-9-27)15-17-14-18-19(31-17)21(26-10-12-30-13-11-26)24-20(23-18)16-2-4-22-5-3-16/h2-5,14H,6-13,15H2,1H3
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n/an/a 2.90E+3n/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 alpha


(Homo sapiens (human))
BDBM50312611
PNG
(6-(4-Methanesulfonyl-piperazin-1-ylmethyl)-4-morph...)
Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccnc2)CC1
Show InChI InChI=1S/C21H26N6O3S2/c1-32(28,29)27-7-5-25(6-8-27)15-17-13-18-19(31-17)21(26-9-11-30-12-10-26)24-20(23-18)16-3-2-4-22-14-16/h2-4,13-14H,5-12,15H2,1H3
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n/an/a 21n/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 alpha


(Homo sapiens (human))
BDBM50312612
PNG
(3-[6-(4-Methanesulfonyl-piperazin-1-ylmethyl)-4-mo...)
Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc(O)c2)CC1
Show InChI InChI=1S/C22H27N5O4S2/c1-33(29,30)27-7-5-25(6-8-27)15-18-14-19-20(32-18)22(26-9-11-31-12-10-26)24-21(23-19)16-3-2-4-17(28)13-16/h2-4,13-14,28H,5-12,15H2,1H3
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n/an/a 1.60n/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 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
Sphingosine kinase 2


(Homo sapiens)
BDBM50426176
PNG
(CHEMBL2316958)
Show SMILES CC(C)=CC(=O)CCC(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
Show InChI InChI=1S/C30H35N7O3S/c1-20(2)16-21(38)6-7-27(39)36-10-8-35(9-11-36)19-22-17-26-28(41-22)30(37-12-14-40-15-13-37)33-29(32-26)23-4-3-5-25-24(23)18-31-34-25/h3-5,16-18H,6-15,19H2,1-2H3,(H,31,34)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Celgene Avilomics Research

Curated by ChEMBL


Assay Description
Inhibition of SPHK2 (unknown origin) by ADP-GLO assay


J Med Chem 56: 712-21 (2013)

More data for this
Ligand-Target Pair
Sphingosine kinase 1 (SPHK1)


(Homo sapiens (Human))
BDBM50426176
PNG
(CHEMBL2316958)
Show SMILES CC(C)=CC(=O)CCC(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
Show InChI InChI=1S/C30H35N7O3S/c1-20(2)16-21(38)6-7-27(39)36-10-8-35(9-11-36)19-22-17-26-28(41-22)30(37-12-14-40-15-13-37)33-29(32-26)23-4-3-5-25-24(23)18-31-34-25/h3-5,16-18H,6-15,19H2,1-2H3,(H,31,34)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Celgene Avilomics Research

Curated by ChEMBL


Assay Description
Inhibition of SPHK1 (unknown origin) by ADP-GLO assay


J Med Chem 56: 712-21 (2013)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase beta (PIK4KB)


(Homo sapiens (Human))
BDBM50426176
PNG
(CHEMBL2316958)
Show SMILES CC(C)=CC(=O)CCC(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
Show InChI InChI=1S/C30H35N7O3S/c1-20(2)16-21(38)6-7-27(39)36-10-8-35(9-11-36)19-22-17-26-28(41-22)30(37-12-14-40-15-13-37)33-29(32-26)23-4-3-5-25-24(23)18-31-34-25/h3-5,16-18H,6-15,19H2,1-2H3,(H,31,34)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Celgene Avilomics Research

Curated by ChEMBL


Assay Description
Inhibition of PI4Kbeta (unknown origin) by ADP-GLO assay


J Med Chem 56: 712-21 (2013)

More data for this
Ligand-Target Pair
PI4KA/PI4KAP2


(Homo sapiens)
BDBM50426176
PNG
(CHEMBL2316958)
Show SMILES CC(C)=CC(=O)CCC(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
Show InChI InChI=1S/C30H35N7O3S/c1-20(2)16-21(38)6-7-27(39)36-10-8-35(9-11-36)19-22-17-26-28(41-22)30(37-12-14-40-15-13-37)33-29(32-26)23-4-3-5-25-24(23)18-31-34-25/h3-5,16-18H,6-15,19H2,1-2H3,(H,31,34)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Celgene Avilomics Research

Curated by ChEMBL


Assay Description
Inhibition of PI4Kalpha (unknown origin) by ADP-GLO assay


J Med Chem 56: 712-21 (2013)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (human))
BDBM50426176
PNG
(CHEMBL2316958)
Show SMILES CC(C)=CC(=O)CCC(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
Show InChI InChI=1S/C30H35N7O3S/c1-20(2)16-21(38)6-7-27(39)36-10-8-35(9-11-36)19-22-17-26-28(41-22)30(37-12-14-40-15-13-37)33-29(32-26)23-4-3-5-25-24(23)18-31-34-25/h3-5,16-18H,6-15,19H2,1-2H3,(H,31,34)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Celgene Avilomics Research

Curated by ChEMBL


Assay Description
Inhibition of PI3KC3 (unknown origin) by ADP-GLO assay


J Med Chem 56: 712-21 (2013)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4-phosphate 3-kinase C2 alpha (PIK3C2A)


(Homo sapiens (Human))
BDBM50426176
PNG
(CHEMBL2316958)
Show SMILES CC(C)=CC(=O)CCC(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
Show InChI InChI=1S/C30H35N7O3S/c1-20(2)16-21(38)6-7-27(39)36-10-8-35(9-11-36)19-22-17-26-28(41-22)30(37-12-14-40-15-13-37)33-29(32-26)23-4-3-5-25-24(23)18-31-34-25/h3-5,16-18H,6-15,19H2,1-2H3,(H,31,34)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Celgene Avilomics Research

Curated by ChEMBL


Assay Description
Inhibition of PI3KC2A (unknown origin) by ADP-GLO assay


J Med Chem 56: 712-21 (2013)

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


(Homo sapiens (human))
BDBM50426176
PNG
(CHEMBL2316958)
Show SMILES CC(C)=CC(=O)CCC(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
Show InChI InChI=1S/C30H35N7O3S/c1-20(2)16-21(38)6-7-27(39)36-10-8-35(9-11-36)19-22-17-26-28(41-22)30(37-12-14-40-15-13-37)33-29(32-26)23-4-3-5-25-24(23)18-31-34-25/h3-5,16-18H,6-15,19H2,1-2H3,(H,31,34)
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n/an/a 3.02E+3n/an/an/an/an/an/a



Celgene Avilomics Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) by HTRF assay


J Med Chem 56: 712-21 (2013)

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


(Homo sapiens (human))
BDBM50426176
PNG
(CHEMBL2316958)
Show SMILES CC(C)=CC(=O)CCC(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
Show InChI InChI=1S/C30H35N7O3S/c1-20(2)16-21(38)6-7-27(39)36-10-8-35(9-11-36)19-22-17-26-28(41-22)30(37-12-14-40-15-13-37)33-29(32-26)23-4-3-5-25-24(23)18-31-34-25/h3-5,16-18H,6-15,19H2,1-2H3,(H,31,34)
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n/an/a 240n/an/an/an/an/an/a



Celgene Avilomics Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin) by HTRF assay


J Med Chem 56: 712-21 (2013)

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


(Homo sapiens (human))
BDBM50426176
PNG
(CHEMBL2316958)
Show SMILES CC(C)=CC(=O)CCC(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
Show InChI InChI=1S/C30H35N7O3S/c1-20(2)16-21(38)6-7-27(39)36-10-8-35(9-11-36)19-22-17-26-28(41-22)30(37-12-14-40-15-13-37)33-29(32-26)23-4-3-5-25-24(23)18-31-34-25/h3-5,16-18H,6-15,19H2,1-2H3,(H,31,34)
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n/an/a 166n/an/an/an/an/an/a



Celgene Avilomics Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta (unknown origin) by HTRF assay


J Med Chem 56: 712-21 (2013)

More data for this
Ligand-Target Pair
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