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Compile Data Set for Download or QSAR

Found 33 hits of ki data for complexid = 217   
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
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50396809
PNG
(CHEMBL2170099 | US8772480, 147)
Show SMILES COc1ncc(Nc2ncc(cc2-c2nc(C)nc(N)n2)[C@H](C)N2CCN(CC2)S(C)(=O)=O)cc1F
Show InChI InChI=1S/C22H28FN9O3S/c1-13(31-5-7-32(8-6-31)36(4,33)34)15-9-17(20-27-14(2)28-22(24)30-20)19(25-11-15)29-16-10-18(23)21(35-3)26-12-16/h9-13H,5-8H2,1-4H3,(H,25,29)(H2,24,27,28,30)/t13-/m0/s1
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1n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal polyHis-tagged PI3K p110delta/p85alpha expressed in baculovirus infected Sf9 cells using phosphatidylinositol-4,5-bisp...


J Med Chem 55: 7796-816 (2012)

More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50396807
PNG
(CHEMBL2170082 | US8772480, 316)
Show SMILES COc1ncc(Nc2ncc(CN3CCN(C[C@H]3C)S(C)(=O)=O)cc2-c2nc(C)nc(N)n2)cc1F
Show InChI InChI=1S/C22H28FN9O3S/c1-13-11-32(36(4,33)34)6-5-31(13)12-15-7-17(20-27-14(2)28-22(24)30-20)19(25-9-15)29-16-8-18(23)21(35-3)26-10-16/h7-10,13H,5-6,11-12H2,1-4H3,(H,25,29)(H2,24,27,28,30)/t13-/m1/s1
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1n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal polyHis-tagged PI3K p110delta/p85alpha expressed in baculovirus infected Sf9 cells using phosphatidylinositol-4,5-bisp...


J Med Chem 55: 7796-816 (2012)

More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50396806
PNG
(CHEMBL2170083 | US8772480, 270)
Show SMILES COc1ncc(Nc2ncc(CN3CCN(C[C@@H]3C)S(C)(=O)=O)cc2-c2nc(C)nc(N)n2)cc1F
Show InChI InChI=1S/C22H28FN9O3S/c1-13-11-32(36(4,33)34)6-5-31(13)12-15-7-17(20-27-14(2)28-22(24)30-20)19(25-9-15)29-16-8-18(23)21(35-3)26-10-16/h7-10,13H,5-6,11-12H2,1-4H3,(H,25,29)(H2,24,27,28,30)/t13-/m0/s1
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1n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal polyHis-tagged PI3K p110delta/p85alpha expressed in baculovirus infected Sf9 cells using phosphatidylinositol-4,5-bisp...


J Med Chem 55: 7796-816 (2012)

More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50396808
PNG
(CHEMBL2170081 | US8772480, 148)
Show SMILES COc1ncc(Nc2ncc(cc2-c2nc(C)nc(N)n2)[C@@H](C)N2CCN(CC2)S(C)(=O)=O)cc1F
Show InChI InChI=1S/C22H28FN9O3S/c1-13(31-5-7-32(8-6-31)36(4,33)34)15-9-17(20-27-14(2)28-22(24)30-20)19(25-11-15)29-16-10-18(23)21(35-3)26-12-16/h9-13H,5-8H2,1-4H3,(H,25,29)(H2,24,27,28,30)/t13-/m1/s1
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2n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal polyHis-tagged PI3K p110delta/p85alpha expressed in baculovirus infected Sf9 cells using phosphatidylinositol-4,5-bisp...


J Med Chem 55: 7796-816 (2012)

More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50396821
PNG
(CHEMBL2170087 | US8772480, 361)
Show SMILES COc1ncc(Nc2ncc(cc2-c2nc(C)nc(N)n2)[C@H](C)N2CCN(C[C@H]2C)S(C)(=O)=O)cc1F
Show InChI InChI=1S/C23H30FN9O3S/c1-13-12-32(37(5,34)35)6-7-33(13)14(2)16-8-18(21-28-15(3)29-23(25)31-21)20(26-10-16)30-17-9-19(24)22(36-4)27-11-17/h8-11,13-14H,6-7,12H2,1-5H3,(H,26,30)(H2,25,28,29,31)/t13-,14+/m1/s1
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2n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal polyHis-tagged PI3K p110delta/p85alpha expressed in baculovirus infected Sf9 cells using phosphatidylinositol-4,5-bisp...


J Med Chem 55: 7796-816 (2012)

More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50396822
PNG
(CHEMBL2170086 | US8772480, 360)
Show SMILES COc1ncc(Nc2ncc(cc2-c2nc(C)nc(N)n2)[C@@H](C)N2CCN(C[C@H]2C)S(C)(=O)=O)cc1F
Show InChI InChI=1S/C23H30FN9O3S/c1-13-12-32(37(5,34)35)6-7-33(13)14(2)16-8-18(21-28-15(3)29-23(25)31-21)20(26-10-16)30-17-9-19(24)22(36-4)27-11-17/h8-11,13-14H,6-7,12H2,1-5H3,(H,26,30)(H2,25,28,29,31)/t13-,14-/m1/s1
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2n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal polyHis-tagged PI3K p110delta/p85alpha expressed in baculovirus infected Sf9 cells using phosphatidylinositol-4,5-bisp...


J Med Chem 55: 7796-816 (2012)

More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50365517
PNG
(CHEMBL1957508)
Show SMILES COCCCNC(=O)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cccc2[nH]ncc12
Show InChI InChI=1S/C22H25N7O3/c1-31-9-3-6-23-22(30)19-14-29-13-18(15-4-2-5-17-16(15)12-24-27-17)25-20(21(29)26-19)28-7-10-32-11-8-28/h2,4-5,12-14H,3,6-11H2,1H3,(H,23,30)(H,24,27)
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2.80n/an/an/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3

Curated by ChEMBL


Assay Description
Inhibition of human PI3K p110delta/p85alpha


Bioorg Med Chem Lett 22: 1874-8 (2012)

More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50396805
PNG
(CHEMBL2170084)
Show SMILES COc1ncc(Nc2ncc(cc2-c2nc(C)nc(N)n2)[C@@H](N2CCN(CC2)S(C)(=O)=O)C(F)(F)F)cc1F
Show InChI InChI=1S/C22H25F4N9O3S/c1-12-30-19(33-21(27)31-12)15-8-13(10-28-18(15)32-14-9-16(23)20(38-2)29-11-14)17(22(24,25)26)34-4-6-35(7-5-34)39(3,36)37/h8-11,17H,4-7H2,1-3H3,(H,28,32)(H2,27,30,31,33)/t17-/m1/s1
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3n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal polyHis-tagged PI3K p110delta/p85alpha expressed in baculovirus infected Sf9 cells using phosphatidylinositol-4,5-bisp...


J Med Chem 55: 7796-816 (2012)

More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50365514
PNG
(CHEMBL1957505)
Show SMILES CN(C)CCCNC(=O)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cccc2[nH]ncc12
Show InChI InChI=1S/C23H28N8O2/c1-29(2)8-4-7-24-23(32)20-15-31-14-19(16-5-3-6-18-17(16)13-25-28-18)26-21(22(31)27-20)30-9-11-33-12-10-30/h3,5-6,13-15H,4,7-12H2,1-2H3,(H,24,32)(H,25,28)
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3.60n/an/an/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3

Curated by ChEMBL


Assay Description
Inhibition of human PI3K p110delta/p85alpha


Bioorg Med Chem Lett 22: 1874-8 (2012)

More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50394846
PNG
(CHEMBL2165017 | US8772480, 35)
Show SMILES COc1ccc(Nc2ncc(CN3CCN(CC3)S(C)(=O)=O)cc2-c2nc(C)nc(N)n2)cn1
Show InChI InChI=1S/C21H27N9O3S/c1-14-25-20(28-21(22)26-14)17-10-15(13-29-6-8-30(9-7-29)34(3,31)32)11-24-19(17)27-16-4-5-18(33-2)23-12-16/h4-5,10-12H,6-9,13H2,1-3H3,(H,24,27)(H2,22,25,26,28)
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4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal polyHis-tagged PI3K p110delta/p85alpha expressed in baculovirus infected Sf9 cells using phosphatidylinositol-4,5-bisp...


J Med Chem 55: 7796-816 (2012)

More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50420719
PNG
(CHEMBL2087479)
Show SMILES CS(=O)(=O)N1CCN(Cc2cn3cc(nc(N4CCOCC4)c3n2)-c2cnc(N)nc2C(F)(F)F)CC1
Show InChI InChI=1S/C21H26F3N9O3S/c1-37(34,35)33-4-2-30(3-5-33)11-14-12-32-13-16(15-10-26-20(25)29-17(15)21(22,23)24)28-19(18(32)27-14)31-6-8-36-9-7-31/h10,12-13H,2-9,11H2,1H3,(H2,25,26,29)
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5.06n/an/an/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kdelta (p110delta/p85alpha) by ADP accumulation based HTRF assay


Bioorg Med Chem Lett 22: 3460-6 (2012)

More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50396812
PNG
(CHEMBL2170096 | US8772480, 40)
Show SMILES COc1ncc(Nc2ncc(CN3CCN(CC3)S(C)(=O)=O)cc2-c2nc(C)nc(N)n2)cc1F
Show InChI InChI=1S/C21H26FN9O3S/c1-13-26-19(29-21(23)27-13)16-8-14(12-30-4-6-31(7-5-30)35(3,32)33)10-24-18(16)28-15-9-17(22)20(34-2)25-11-15/h8-11H,4-7,12H2,1-3H3,(H,24,28)(H2,23,26,27,29)
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6n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal polyHis-tagged PI3K p110delta/p85alpha expressed in baculovirus infected Sf9 cells using phosphatidylinositol-4,5-bisp...


J Med Chem 55: 7796-816 (2012)

More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50365513
PNG
(CHEMBL1957504)
Show SMILES O=C(NCCN1CCOCC1)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cccc2[nH]ncc12
Show InChI InChI=1S/C24H28N8O3/c33-24(25-4-5-30-6-10-34-11-7-30)21-16-32-15-20(17-2-1-3-19-18(17)14-26-29-19)27-22(23(32)28-21)31-8-12-35-13-9-31/h1-3,14-16H,4-13H2,(H,25,33)(H,26,29)
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6.5n/an/an/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3

Curated by ChEMBL


Assay Description
Inhibition of human PI3K p110delta/p85alpha


Bioorg Med Chem Lett 22: 1874-8 (2012)

More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50396804
PNG
(CHEMBL2170085)
Show SMILES COc1ncc(Nc2ncc(cc2-c2nc(C)nc(N)n2)[C@H](N2CCN(CC2)S(C)(=O)=O)C(F)(F)F)cc1F
Show InChI InChI=1S/C22H25F4N9O3S/c1-12-30-19(33-21(27)31-12)15-8-13(10-28-18(15)32-14-9-16(23)20(38-2)29-11-14)17(22(24,25)26)34-4-6-35(7-5-34)39(3,36)37/h8-11,17H,4-7H2,1-3H3,(H,28,32)(H2,27,30,31,33)/t17-/m0/s1
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7.60n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal polyHis-tagged PI3K p110delta/p85alpha expressed in baculovirus infected Sf9 cells using phosphatidylinositol-4,5-bisp...


J Med Chem 55: 7796-816 (2012)

More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50365507
PNG
(CHEMBL1957498)
Show SMILES CS(=O)(=O)N1CCN(Cc2nc3c(nc(cn3c2Br)-c2cccc3[nH]ncc23)N2CCOCC2)CC1
Show InChI InChI=1S/C23H27BrN8O3S/c1-36(33,34)31-7-5-29(6-8-31)14-20-21(24)32-15-19(16-3-2-4-18-17(16)13-25-28-18)26-22(23(32)27-20)30-9-11-35-12-10-30/h2-4,13,15H,5-12,14H2,1H3,(H,25,28)
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8n/an/an/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3

Curated by ChEMBL


Assay Description
Inhibition of human PI3K p110delta/p85alpha


Bioorg Med Chem Lett 22: 1874-8 (2012)

More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50420730
PNG
(CHEMBL2087493)
Show SMILES CS(=O)(=O)N1CCN(Cc2cn3c(Cl)c(nc(N4CCOCC4)c3n2)-c2cnc(N)nc2)CC1
Show InChI InChI=1S/C20H26ClN9O3S/c1-34(31,32)29-4-2-27(3-5-29)12-15-13-30-17(21)16(14-10-23-20(22)24-11-14)26-18(19(30)25-15)28-6-8-33-9-7-28/h10-11,13H,2-9,12H2,1H3,(H2,22,23,24)
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9.80n/an/an/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kdelta (p110delta/p85alpha) by ADP accumulation based HTRF assay


Bioorg Med Chem Lett 22: 3460-6 (2012)

More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50396820
PNG
(CHEMBL2170088 | US8772480, 272)
Show SMILES COc1ncc(Nc2ncc(cc2-c2nc(C)nc(N)n2)[C@@H](C)N2CCN(C[C@@H]2C)S(C)(=O)=O)cc1F
Show InChI InChI=1S/C23H30FN9O3S/c1-13-12-32(37(5,34)35)6-7-33(13)14(2)16-8-18(21-28-15(3)29-23(25)31-21)20(26-10-16)30-17-9-19(24)22(36-4)27-11-17/h8-11,13-14H,6-7,12H2,1-5H3,(H,26,30)(H2,25,28,29,31)/t13-,14+/m0/s1
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12n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal polyHis-tagged PI3K p110delta/p85alpha expressed in baculovirus infected Sf9 cells using phosphatidylinositol-4,5-bisp...


J Med Chem 55: 7796-816 (2012)

More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50396818
PNG
(CHEMBL2170090 | US8772480, 280)
Show SMILES COc1ncc(Nc2ncc(cc2-c2nc(C)nc(N)n2)C(C)(C)N2CCN(CC2)S(C)(=O)=O)cc1F
Show InChI InChI=1S/C23H30FN9O3S/c1-14-28-20(31-22(25)29-14)17-10-15(23(2,3)32-6-8-33(9-7-32)37(5,34)35)12-26-19(17)30-16-11-18(24)21(36-4)27-13-16/h10-13H,6-9H2,1-5H3,(H,26,30)(H2,25,28,29,31)
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14n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal polyHis-tagged PI3K p110delta/p85alpha expressed in baculovirus infected Sf9 cells using phosphatidylinositol-4,5-bisp...


J Med Chem 55: 7796-816 (2012)

More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50396819
PNG
(CHEMBL2170089 | US8772480, 271)
Show SMILES COc1ncc(Nc2ncc(cc2-c2nc(C)nc(N)n2)[C@H](C)N2CCN(C[C@@H]2C)S(C)(=O)=O)cc1F
Show InChI InChI=1S/C23H30FN9O3S/c1-13-12-32(37(5,34)35)6-7-33(13)14(2)16-8-18(21-28-15(3)29-23(25)31-21)20(26-10-16)30-17-9-19(24)22(36-4)27-11-17/h8-11,13-14H,6-7,12H2,1-5H3,(H,26,30)(H2,25,28,29,31)/t13-,14-/m0/s1
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14n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal polyHis-tagged PI3K p110delta/p85alpha expressed in baculovirus infected Sf9 cells using phosphatidylinositol-4,5-bisp...


J Med Chem 55: 7796-816 (2012)

More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50420714
PNG
(CHEMBL2087474)
Show SMILES CS(=O)(=O)N1CCN(Cc2cn3cc(nc(N4CCOCC4)c3n2)-c2cnc(N)nc2)CC1
Show InChI InChI=1S/C20H27N9O3S/c1-33(30,31)29-4-2-26(3-5-29)12-16-13-28-14-17(15-10-22-20(21)23-11-15)25-19(18(28)24-16)27-6-8-32-9-7-27/h10-11,13-14H,2-9,12H2,1H3,(H2,21,22,23)
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14.2n/an/an/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kdelta (p110delta/p85alpha) by ADP accumulation based HTRF assay


Bioorg Med Chem Lett 22: 3460-6 (2012)

More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50420736
PNG
(CHEMBL2087483)
Show SMILES C[C@H]1CN(Cc2cn3cc(nc(N4CCOCC4)c3n2)-c2cnc(N)nc2)CCN1S(C)(=O)=O
Show InChI InChI=1S/C21H29N9O3S/c1-15-11-27(3-4-30(15)34(2,31)32)12-17-13-29-14-18(16-9-23-21(22)24-10-16)26-20(19(29)25-17)28-5-7-33-8-6-28/h9-10,13-15H,3-8,11-12H2,1-2H3,(H2,22,23,24)/t15-/m0/s1
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14.7n/an/an/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kdelta (p110delta/p85alpha) by ADP accumulation based HTRF assay


Bioorg Med Chem Lett 22: 3460-6 (2012)

More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50420703
PNG
(CHEMBL2087492)
Show SMILES Cc1c(CN2CCN(CC2)S(C)(=O)=O)nc2c(nc(cn12)-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C21H29N9O3S/c1-15-17(13-27-3-5-29(6-4-27)34(2,31)32)25-20-19(28-7-9-33-10-8-28)26-18(14-30(15)20)16-11-23-21(22)24-12-16/h11-12,14H,3-10,13H2,1-2H3,(H2,22,23,24)
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15.6n/an/an/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kdelta (p110delta/p85alpha) by ADP accumulation based HTRF assay


Bioorg Med Chem Lett 22: 3460-6 (2012)

More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50396813
PNG
(CHEMBL2170095 | US8772480, 209)
Show SMILES COc1ncc(Nc2ncc(CN3CCN(CC3)S(C)(=O)=O)cc2-c2nc(C)nc(N)n2)cn1
Show InChI InChI=1S/C20H26N10O3S/c1-13-25-18(28-19(21)26-13)16-8-14(12-29-4-6-30(7-5-29)34(3,31)32)9-22-17(16)27-15-10-23-20(33-2)24-11-15/h8-11H,4-7,12H2,1-3H3,(H,22,27)(H2,21,25,26,28)
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16n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal polyHis-tagged PI3K p110delta/p85alpha expressed in baculovirus infected Sf9 cells using phosphatidylinositol-4,5-bisp...


J Med Chem 55: 7796-816 (2012)

More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50365511
PNG
(CHEMBL1957502)
Show SMILES CNC(=O)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cccc2[nH]ncc12
Show InChI InChI=1S/C19H19N7O2/c1-20-19(27)16-11-26-10-15(12-3-2-4-14-13(12)9-21-24-14)22-17(18(26)23-16)25-5-7-28-8-6-25/h2-4,9-11H,5-8H2,1H3,(H,20,27)(H,21,24)
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17.1n/an/an/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3

Curated by ChEMBL


Assay Description
Inhibition of human PI3K p110delta/p85alpha


Bioorg Med Chem Lett 22: 1874-8 (2012)

More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50396810
PNG
(CHEMBL2170098 | US8772480, 162)
Show SMILES COc1cncc(Nc2ncc(CN3CCN(CC3)S(C)(=O)=O)cc2-c2nc(C)nc(N)n2)c1
Show InChI InChI=1S/C21H27N9O3S/c1-14-25-20(28-21(22)26-14)18-8-15(13-29-4-6-30(7-5-29)34(3,31)32)10-24-19(18)27-16-9-17(33-2)12-23-11-16/h8-12H,4-7,13H2,1-3H3,(H,24,27)(H2,22,25,26,28)
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20n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal polyHis-tagged PI3K p110delta/p85alpha expressed in baculovirus infected Sf9 cells using phosphatidylinositol-4,5-bisp...


J Med Chem 55: 7796-816 (2012)

More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50396816
PNG
(CHEMBL2170092)
Show SMILES Cc1nc(N)nc(n1)-c1cc(CN2CCN(CC2)S(C)(=O)=O)cnc1Nc1ccc(Cl)nc1
Show InChI InChI=1S/C20H24ClN9O2S/c1-13-25-19(28-20(22)26-13)16-9-14(12-29-5-7-30(8-6-29)33(2,31)32)10-24-18(16)27-15-3-4-17(21)23-11-15/h3-4,9-11H,5-8,12H2,1-2H3,(H,24,27)(H2,22,25,26,28)
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20n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal polyHis-tagged PI3K p110delta/p85alpha expressed in baculovirus infected Sf9 cells using phosphatidylinositol-4,5-bisp...


J Med Chem 55: 7796-816 (2012)

More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50365506
PNG
(CHEMBL1957497)
Show SMILES CS(=O)(=O)N1CCN(Cc2cn3cc(nc(N4CCOCC4)c3n2)-c2cccc3[nH]ncc23)CC1
Show InChI InChI=1S/C23H28N8O3S/c1-35(32,33)31-7-5-28(6-8-31)14-17-15-30-16-21(18-3-2-4-20-19(18)13-24-27-20)26-23(22(30)25-17)29-9-11-34-12-10-29/h2-4,13,15-16H,5-12,14H2,1H3,(H,24,27)
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29n/an/an/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3

Curated by ChEMBL


Assay Description
Inhibition of human PI3K p110delta/p85alpha


Bioorg Med Chem Lett 22: 1874-8 (2012)

More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50396815
PNG
(CHEMBL2170093)
Show SMILES Cc1ccc(Nc2ncc(CN3CCN(CC3)S(C)(=O)=O)cc2-c2nc(C)nc(N)n2)cn1
Show InChI InChI=1S/C21H27N9O2S/c1-14-4-5-17(12-23-14)27-19-18(20-25-15(2)26-21(22)28-20)10-16(11-24-19)13-29-6-8-30(9-7-29)33(3,31)32/h4-5,10-12H,6-9,13H2,1-3H3,(H,24,27)(H2,22,25,26,28)
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30n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal polyHis-tagged PI3K p110delta/p85alpha expressed in baculovirus infected Sf9 cells using phosphatidylinositol-4,5-bisp...


J Med Chem 55: 7796-816 (2012)

More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50396811
PNG
(CHEMBL2170097 | US8772480, 242)
Show SMILES Cc1nc(N)nc(n1)-c1cc(CN2CCN(CC2)S(C)(=O)=O)cnc1Nc1cncc(F)c1
Show InChI InChI=1S/C20H24FN9O2S/c1-13-25-19(28-20(22)26-13)17-7-14(12-29-3-5-30(6-4-29)33(2,31)32)9-24-18(17)27-16-8-15(21)10-23-11-16/h7-11H,3-6,12H2,1-2H3,(H,24,27)(H2,22,25,26,28)
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40n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal polyHis-tagged PI3K p110delta/p85alpha expressed in baculovirus infected Sf9 cells using phosphatidylinositol-4,5-bisp...


J Med Chem 55: 7796-816 (2012)

More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50365508
PNG
(CHEMBL1957499)
Show SMILES CS(=O)(=O)N1CCN(Cc2cn3c(C#N)c(nc(N4CCOCC4)c3n2)-c2cccc3[nH]ncc23)CC1
Show InChI InChI=1S/C24H27N9O3S/c1-37(34,35)32-7-5-30(6-8-32)15-17-16-33-21(13-25)22(18-3-2-4-20-19(18)14-26-29-20)28-23(24(33)27-17)31-9-11-36-12-10-31/h2-4,14,16H,5-12,15H2,1H3,(H,26,29)
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43n/an/an/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3

Curated by ChEMBL


Assay Description
Inhibition of human PI3K p110delta/p85alpha


Bioorg Med Chem Lett 22: 1874-8 (2012)

More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50365509
PNG
(CHEMBL1957500)
Show SMILES CS(=O)(=O)N1CCN(Cc2cn3c(Cl)c(nc(N4CCOCC4)c3n2)-c2cccc3[nH]ncc23)CC1
Show InChI InChI=1S/C23H27ClN8O3S/c1-36(33,34)31-7-5-29(6-8-31)14-16-15-32-21(24)20(17-3-2-4-19-18(17)13-25-28-19)27-22(23(32)26-16)30-9-11-35-12-10-30/h2-4,13,15H,5-12,14H2,1H3,(H,25,28)
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65n/an/an/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3

Curated by ChEMBL


Assay Description
Inhibition of human PI3K p110delta/p85alpha


Bioorg Med Chem Lett 22: 1874-8 (2012)

More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50396814
PNG
(CHEMBL2170094 | US8772480, 37)
Show SMILES Cc1nc(N)nc(n1)-c1cc(CN2CCN(CC2)S(C)(=O)=O)cnc1Nc1ccc(nc1)C(F)(F)F
Show InChI InChI=1S/C21H24F3N9O2S/c1-13-28-19(31-20(25)29-13)16-9-14(12-32-5-7-33(8-6-32)36(2,34)35)10-27-18(16)30-15-3-4-17(26-11-15)21(22,23)24/h3-4,9-11H,5-8,12H2,1-2H3,(H,27,30)(H2,25,28,29,31)
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84n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal polyHis-tagged PI3K p110delta/p85alpha expressed in baculovirus infected Sf9 cells using phosphatidylinositol-4,5-bisp...


J Med Chem 55: 7796-816 (2012)

More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50396817
PNG
(CHEMBL2170091)
Show SMILES Cc1nc(N)nc(n1)-c1cc(CN2CCN(CC2)S(C)(=O)=O)cnc1Nc1ccc(=O)[nH]c1
Show InChI InChI=1S/C20H25N9O3S/c1-13-24-19(27-20(21)25-13)16-9-14(12-28-5-7-29(8-6-28)33(2,31)32)10-23-18(16)26-15-3-4-17(30)22-11-15/h3-4,9-11H,5-8,12H2,1-2H3,(H,22,30)(H,23,26)(H2,21,24,25,27)
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5.58E+3n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal polyHis-tagged PI3K p110delta/p85alpha expressed in baculovirus infected Sf9 cells using phosphatidylinositol-4,5-bisp...


J Med Chem 55: 7796-816 (2012)

More data for this
Ligand-Target Pair