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Compile Data Set for Download or QSAR

Found 19 hits Enz. Inhib. hit(s) with all data for assayid = 25 entry = 50048206   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50208187
PNG
(CHEMBL3897116)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nn2ccc(C)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C20H18N8O/c1-12-8-9-27-16(12)20(29)28(14-6-4-3-5-7-14)19(26-27)13(2)25-18-15(10-21)17(22)23-11-24-18/h3-9,11,13H,1-2H3,(H3,22,23,24,25)/t13-/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in human THP1 cells assessed as reduction in MCSF-stimulated akt phosphorylation at Thr308 preincubated for 30 mins followed ...


ACS Med Chem Lett 8: 118-123 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00438
BindingDB Entry DOI: 10.7270/Q2ZC84WF
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50208168
PNG
(CHEMBL3924058)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nn2ccc(F)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C19H15FN8O/c1-11(25-17-13(9-21)16(22)23-10-24-17)18-26-27-8-7-14(20)15(27)19(29)28(18)12-5-3-2-4-6-12/h2-8,10-11H,1H3,(H3,22,23,24,25)/t11-/m0/s1
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n/an/a 3.80n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in human THP1 cells assessed as reduction in MCSF-stimulated akt phosphorylation at Thr308 preincubated for 30 mins followed ...


ACS Med Chem Lett 8: 118-123 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00438
BindingDB Entry DOI: 10.7270/Q2ZC84WF
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50208166
PNG
(CHEMBL3901527)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nn2cccc2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C19H16N8O/c1-12(24-17-14(10-20)16(21)22-11-23-17)18-25-26-9-5-8-15(26)19(28)27(18)13-6-3-2-4-7-13/h2-9,11-12H,1H3,(H3,21,22,23,24)/t12-/m0/s1
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n/an/a 4.70n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in human THP1 cells assessed as reduction in MCSF-stimulated akt phosphorylation at Thr308 preincubated for 30 mins followed ...


ACS Med Chem Lett 8: 118-123 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00438
BindingDB Entry DOI: 10.7270/Q2ZC84WF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50208188
PNG
(CHEMBL3985833)
Show SMILES C[C@H](Nc1nc(N)nc2[nH]cnc12)c1nn2cccc2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C19H17N9O/c1-11(23-16-14-15(22-10-21-14)24-19(20)25-16)17-26-27-9-5-8-13(27)18(29)28(17)12-6-3-2-4-7-12/h2-11H,1H3,(H4,20,21,22,23,24,25)/t11-/m0/s1
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n/an/a 6.5n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in human THP1 cells assessed as reduction in MCSF-stimulated akt phosphorylation at Thr308 preincubated for 30 mins followed ...


ACS Med Chem Lett 8: 118-123 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00438
BindingDB Entry DOI: 10.7270/Q2ZC84WF
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50208192
PNG
(CHEMBL3957154)
Show SMILES C[C@H](Nc1ncnc2[nH]cnc12)c1nn2cccc2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C19H16N8O/c1-12(24-17-15-16(21-10-20-15)22-11-23-17)18-25-26-9-5-8-14(26)19(28)27(18)13-6-3-2-4-7-13/h2-12H,1H3,(H2,20,21,22,23,24)/t12-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in human THP1 cells assessed as reduction in MCSF-stimulated akt phosphorylation at Thr308 preincubated for 30 mins followed ...


ACS Med Chem Lett 8: 118-123 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00438
BindingDB Entry DOI: 10.7270/Q2ZC84WF
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50208165
PNG
(CHEMBL3910904)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nn2ccc(C#N)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C20H15N9O/c1-12(26-18-15(10-22)17(23)24-11-25-18)19-27-28-8-7-13(9-21)16(28)20(30)29(19)14-5-3-2-4-6-14/h2-8,11-12H,1H3,(H3,23,24,25,26)/t12-/m0/s1
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n/an/a 7.80n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in human THP1 cells assessed as reduction in MCSF-stimulated akt phosphorylation at Thr308 preincubated for 30 mins followed ...


ACS Med Chem Lett 8: 118-123 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00438
BindingDB Entry DOI: 10.7270/Q2ZC84WF
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50208181
PNG
(CHEMBL3963227)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nn2c(C)ccc2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C20H18N8O/c1-12-8-9-16-20(29)27(14-6-4-3-5-7-14)19(26-28(12)16)13(2)25-18-15(10-21)17(22)23-11-24-18/h3-9,11,13H,1-2H3,(H3,22,23,24,25)/t13-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in human THP1 cells assessed as reduction in MCSF-stimulated akt phosphorylation at Thr308 preincubated for 30 mins followed ...


ACS Med Chem Lett 8: 118-123 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00438
BindingDB Entry DOI: 10.7270/Q2ZC84WF
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50208164
PNG
(CHEMBL3928750)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nn2c(ccc2c(=O)n1-c1ccccc1)C#N |r|
Show InChI InChI=1S/C20H15N9O/c1-12(26-18-15(10-22)17(23)24-11-25-18)19-27-29-14(9-21)7-8-16(29)20(30)28(19)13-5-3-2-4-6-13/h2-8,11-12H,1H3,(H3,23,24,25,26)/t12-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in human THP1 cells assessed as reduction in MCSF-stimulated akt phosphorylation at Thr308 preincubated for 30 mins followed ...


ACS Med Chem Lett 8: 118-123 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00438
BindingDB Entry DOI: 10.7270/Q2ZC84WF
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50208167
PNG
(CHEMBL3985921)
Show SMILES Nc1ncnc(N[C@@H](CCO)c2nn3cccc3c(=O)n2-c2ccccc2)c1C#N |r|
Show InChI InChI=1S/C20H18N8O2/c21-11-14-17(22)23-12-24-18(14)25-15(8-10-29)19-26-27-9-4-7-16(27)20(30)28(19)13-5-2-1-3-6-13/h1-7,9,12,15,29H,8,10H2,(H3,22,23,24,25)/t15-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in human THP1 cells assessed as reduction in MCSF-stimulated akt phosphorylation at Thr308 preincubated for 30 mins followed ...


ACS Med Chem Lett 8: 118-123 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00438
BindingDB Entry DOI: 10.7270/Q2ZC84WF
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50208186
PNG
(CHEMBL3957244)
Show SMILES CC[C@H](Nc1ncnc(N)c1C#N)c1nn2cccc2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C20H18N8O/c1-2-15(25-18-14(11-21)17(22)23-12-24-18)19-26-27-10-6-9-16(27)20(29)28(19)13-7-4-3-5-8-13/h3-10,12,15H,2H2,1H3,(H3,22,23,24,25)/t15-/m0/s1
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n/an/a 18n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in human THP1 cells assessed as reduction in MCSF-stimulated akt phosphorylation at Thr308 preincubated for 30 mins followed ...


ACS Med Chem Lett 8: 118-123 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00438
BindingDB Entry DOI: 10.7270/Q2ZC84WF
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50208172
PNG
(CHEMBL3901256)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nn2ccc(CO)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C20H18N8O2/c1-12(25-18-15(9-21)17(22)23-11-24-18)19-26-27-8-7-13(10-29)16(27)20(30)28(19)14-5-3-2-4-6-14/h2-8,11-12,29H,10H2,1H3,(H3,22,23,24,25)/t12-/m0/s1
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n/an/a 35n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in human THP1 cells assessed as reduction in MCSF-stimulated akt phosphorylation at Thr308 preincubated for 30 mins followed ...


ACS Med Chem Lett 8: 118-123 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00438
BindingDB Entry DOI: 10.7270/Q2ZC84WF
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50208170
PNG
(CHEMBL3902629)
Show SMILES C[C@H](Nc1ncnc2[nH]cc(F)c12)c1nn2cccc2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C20H16FN7O/c1-12(25-18-16-14(21)10-22-17(16)23-11-24-18)19-26-27-9-5-8-15(27)20(29)28(19)13-6-3-2-4-7-13/h2-12H,1H3,(H2,22,23,24,25)/t12-/m0/s1
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n/an/a 47n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in human THP1 cells assessed as reduction in MCSF-stimulated akt phosphorylation at Thr308 preincubated for 30 mins followed ...


ACS Med Chem Lett 8: 118-123 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00438
BindingDB Entry DOI: 10.7270/Q2ZC84WF
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50208178
PNG
(CHEMBL3925368)
Show SMILES Nc1ncnc(NC(CC(F)(F)F)c2nn3cccc3c(=O)n2-c2ccccc2)c1C#N
Show InChI InChI=1S/C20H15F3N8O/c21-20(22,23)9-14(28-17-13(10-24)16(25)26-11-27-17)18-29-30-8-4-7-15(30)19(32)31(18)12-5-2-1-3-6-12/h1-8,11,14H,9H2,(H3,25,26,27,28)
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n/an/a 51n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in human THP1 cells assessed as reduction in MCSF-stimulated akt phosphorylation at Thr308 preincubated for 30 mins followed ...


ACS Med Chem Lett 8: 118-123 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00438
BindingDB Entry DOI: 10.7270/Q2ZC84WF
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50208191
PNG
(CHEMBL3920579)
Show SMILES C[C@H](Nc1nc(N)nc(N)n1)c1nn2cccc2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C17H17N9O/c1-10(20-17-22-15(18)21-16(19)23-17)13-24-25-9-5-8-12(25)14(27)26(13)11-6-3-2-4-7-11/h2-10H,1H3,(H5,18,19,20,21,22,23)/t10-/m0/s1
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n/an/a 76n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in human THP1 cells assessed as reduction in MCSF-stimulated akt phosphorylation at Thr308 preincubated for 30 mins followed ...


ACS Med Chem Lett 8: 118-123 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00438
BindingDB Entry DOI: 10.7270/Q2ZC84WF
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50208175
PNG
(CHEMBL3981636)
Show SMILES C[C@H](Nc1ncnc2[nH]ccc12)c1nn2cccc2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C20H17N7O/c1-13(24-18-15-9-10-21-17(15)22-12-23-18)19-25-26-11-5-8-16(26)20(28)27(19)14-6-3-2-4-7-14/h2-13H,1H3,(H2,21,22,23,24)/t13-/m0/s1
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n/an/a 150n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in human THP1 cells assessed as reduction in MCSF-stimulated akt phosphorylation at Thr308 preincubated for 30 mins followed ...


ACS Med Chem Lett 8: 118-123 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00438
BindingDB Entry DOI: 10.7270/Q2ZC84WF
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50208177
PNG
(CHEMBL3973614)
Show SMILES C[C@H](Nc1ncnc(N)c1F)c1nn2cccc2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C18H16FN7O/c1-11(23-16-14(19)15(20)21-10-22-16)17-24-25-9-5-8-13(25)18(27)26(17)12-6-3-2-4-7-12/h2-11H,1H3,(H3,20,21,22,23)/t11-/m0/s1
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n/an/a 210n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in human THP1 cells assessed as reduction in MCSF-stimulated akt phosphorylation at Thr308 preincubated for 30 mins followed ...


ACS Med Chem Lett 8: 118-123 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00438
BindingDB Entry DOI: 10.7270/Q2ZC84WF
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50208185
PNG
(CHEMBL3906055)
Show SMILES Nc1ncnc(N2CC(F)(F)C[C@H]2c2nn3cccc3c(=O)n2-c2ccccc2)c1C#N |r|
Show InChI InChI=1S/C21H16F2N8O/c22-21(23)9-16(29(11-21)18-14(10-24)17(25)26-12-27-18)19-28-30-8-4-7-15(30)20(32)31(19)13-5-2-1-3-6-13/h1-8,12,16H,9,11H2,(H2,25,26,27)/t16-/m0/s1
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n/an/a 370n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in human THP1 cells assessed as reduction in MCSF-stimulated akt phosphorylation at Thr308 preincubated for 30 mins followed ...


ACS Med Chem Lett 8: 118-123 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00438
BindingDB Entry DOI: 10.7270/Q2ZC84WF
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50208182
PNG
(CHEMBL3900775)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nn2c(ccc2c(=O)n1-c1ccccc1)C(F)(F)F |r|
Show InChI InChI=1S/C20H15F3N8O/c1-11(28-17-13(9-24)16(25)26-10-27-17)18-29-31-14(7-8-15(31)20(21,22)23)19(32)30(18)12-5-3-2-4-6-12/h2-8,10-11H,1H3,(H3,25,26,27,28)/t11-/m0/s1
PDB
MMDB

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Article
PubMed
n/an/a 380n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in human THP1 cells assessed as reduction in MCSF-stimulated akt phosphorylation at Thr308 preincubated for 30 mins followed ...


ACS Med Chem Lett 8: 118-123 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00438
BindingDB Entry DOI: 10.7270/Q2ZC84WF
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50208178
PNG
(CHEMBL3925368)
Show SMILES Nc1ncnc(NC(CC(F)(F)F)c2nn3cccc3c(=O)n2-c2ccccc2)c1C#N
Show InChI InChI=1S/C20H15F3N8O/c21-20(22,23)9-14(28-17-13(10-24)16(25)26-11-27-17)18-29-30-8-4-7-15(30)19(32)31(18)12-5-2-1-3-6-12/h1-8,11,14H,9H2,(H3,25,26,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in human THP1 cells assessed as reduction in MCSF-stimulated akt phosphorylation at Thr308 preincubated for 30 mins followed ...


ACS Med Chem Lett 8: 118-123 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00438
BindingDB Entry DOI: 10.7270/Q2ZC84WF
More data for this
Ligand-Target Pair