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Compile Data Set for Download or QSAR

Found 7038 hits Enz. Inhib. hit(s) with Target = 'Phosphoinositide 3-Kinase (PI3K), alpha' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
PI3-kinase class I


(Homo sapiens (human))
BDBM50149477
PNG
(CHEMBL3770993)
Show SMILES CC(C)n1ncnc1-c1cn2CCOc3cc(ccc3-c2n1)N1CCC[C@H]1C(N)=O
Show InChI InChI=1/C21H25N7O2/c1-13(2)28-21(23-12-24-28)16-11-26-8-9-30-18-10-14(5-6-15(18)20(26)25-16)27-7-3-4-17(27)19(22)29/h5-6,10-13,17H,3-4,7-9H2,1-2H3,(H2,22,29)/t17-/s2
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PubMed
0.0300n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3K alpha (unknown origin) using PIP2 as substrate by fluorescence polarization assay


J Med Chem 59: 985-1002 (2016)

More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (human))
BDBM50433530
PNG
(CHEMBL2381382)
Show SMILES CC(C)n1nc(N)nc1-c1nc-2c(CCOc3cc(ccc-23)-c2cnn(CCO)c2)s1
Show InChI InChI=1S/C21H23N7O2S/c1-12(2)28-19(25-21(22)26-28)20-24-18-15-4-3-13(14-10-23-27(11-14)6-7-29)9-16(15)30-8-5-17(18)31-20/h3-4,9-12,29H,5-8H2,1-2H3,(H2,22,26)
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0.0400n/an/an/an/an/an/an/an/a



Genentech, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-fused human recombinant PI3Kalpha expressed in baculovirus infected SF9 cells after 1 hr by scintillation proximity assay in presen...


Bioorg Med Chem Lett 23: 2606-13 (2013)

More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (human))
BDBM50433534
PNG
(CHEMBL2381375)
Show SMILES CC(C)n1ncnc1-c1nc-2c(CCOc3cc(ccc-23)-c2cnn(CS(C)(=O)=O)c2)s1
Show InChI InChI=1S/C21H22N6O3S2/c1-13(2)27-20(22-11-24-27)21-25-19-16-5-4-14(8-17(16)30-7-6-18(19)31-21)15-9-23-26(10-15)12-32(3,28)29/h4-5,8-11,13H,6-7,12H2,1-3H3
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0.0600n/an/an/an/an/an/an/an/a



Genentech, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-fused human recombinant PI3Kalpha expressed in baculovirus infected SF9 cells after 1 hr by scintillation proximity assay in presen...


Bioorg Med Chem Lett 23: 2606-13 (2013)

More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (human))
BDBM50433533
PNG
(CHEMBL2381376)
Show SMILES CC(C)n1ncnc1-c1nc-2c(CCOc3cc(ccc-23)-c2cnn(CCN)c2)s1
Show InChI InChI=1S/C21H23N7OS/c1-13(2)28-20(23-12-25-28)21-26-19-16-4-3-14(15-10-24-27(11-15)7-6-22)9-17(16)29-8-5-18(19)30-21/h3-4,9-13H,5-8,22H2,1-2H3
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0.0600n/an/an/an/an/an/an/an/a



Genentech, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-fused human recombinant PI3Kalpha expressed in baculovirus infected SF9 cells after 1 hr by scintillation proximity assay in presen...


Bioorg Med Chem Lett 23: 2606-13 (2013)

More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (human))
BDBM50149553
PNG
(CHEMBL3770306)
Show SMILES CC(C)n1ncnc1-c1cn2CCOc3cc(ccc3-c2n1)N1CC[C@H]1C(N)=O
Show InChI InChI=1/C20H23N7O2/c1-12(2)27-20(22-11-23-27)15-10-25-7-8-29-17-9-13(3-4-14(17)19(25)24-15)26-6-5-16(26)18(21)28/h3-4,9-12,16H,5-8H2,1-2H3,(H2,21,28)/t16-/s2
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0.100n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3K alpha (unknown origin) using PIP2 as substrate by fluorescence polarization assay


J Med Chem 59: 985-1002 (2016)

More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (human))
BDBM50149482
PNG
(CHEMBL3770709)
Show SMILES CC(C)n1ncnc1-c1cn2CCOc3cc(ncc3-c2n1)N1CCC[C@H]1C(N)=O
Show InChI InChI=1/C20H24N8O2/c1-12(2)28-20(23-11-24-28)14-10-26-6-7-30-16-8-17(22-9-13(16)19(26)25-14)27-5-3-4-15(27)18(21)29/h8-12,15H,3-7H2,1-2H3,(H2,21,29)/t15-/s2
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0.100n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3K alpha (unknown origin) using PIP2 as substrate by fluorescence polarization assay


J Med Chem 59: 985-1002 (2016)

More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (human))
BDBM127387
PNG
(US8791131, 149)
Show SMILES CN(C)c1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n([C@H]4CC[C@@H](CC4)OCCO)c3c2n1
Show InChI InChI=1S/C25H30N6O3/c1-29(2)22-11-4-16(14-27-22)19-9-10-20-23(28-19)24-21(15-26-20)30(3)25(33)31(24)17-5-7-18(8-6-17)34-13-12-32/h4,9-11,14-15,17-18,32H,5-8,12-13H2,1-3H3/t17-,18-
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US Patent
0.102n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Compounds of the present invention were evaluated for potency against PI3-Kalpha using an in vitro kinase assay. PI3-Kalpha activity is measured in v...


US Patent US8791131 (2014)

More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (human))
BDBM127481
PNG
(US8791131, 258)
Show SMILES C[C@@H](O)C(=O)N1CCC(CC1)n1c2c(cnc3ccc(nc23)-c2cnc3[nH]ncc3c2)n(C)c1=O
Show InChI InChI=1S/C24H24N8O3/c1-13(33)23(34)31-7-5-16(6-8-31)32-21-19(30(2)24(32)35)12-25-18-4-3-17(28-20(18)21)14-9-15-11-27-29-22(15)26-10-14/h3-4,9-13,16,33H,5-8H2,1-2H3,(H,26,27,29)/t13-/m1/s1
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0.110n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Compounds of the present invention were evaluated for potency against PI3-Kalpha using an in vitro kinase assay. PI3-Kalpha activity is measured in v...


US Patent US8791131 (2014)

More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (human))
BDBM50433532
PNG
(CHEMBL2381377)
Show SMILES CC(C)n1ncnc1-c1nc-2c(CCOc3cc(ccc-23)-c2cnn(c2)C(C)(C)C(N)=O)s1
Show InChI InChI=1S/C23H25N7O2S/c1-13(2)30-20(25-12-27-30)21-28-19-16-6-5-14(9-17(16)32-8-7-18(19)33-21)15-10-26-29(11-15)23(3,4)22(24)31/h5-6,9-13H,7-8H2,1-4H3,(H2,24,31)
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0.110n/an/an/an/an/an/an/an/a



Genentech, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-fused human recombinant PI3Kalpha expressed in baculovirus infected SF9 cells after 1 hr by scintillation proximity assay in presen...


Bioorg Med Chem Lett 23: 2606-13 (2013)

More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (human))
BDBM50434810
PNG
(CHEMBL2386970)
Show SMILES CC(C)n1nc(C)nc1-c1cn2CCOc3cc(ccc3-c2n1)-c1cnn(c1)C1CN(CCO)C1
Show InChI InChI=1S/C25H30N8O2/c1-16(2)33-25(27-17(3)29-33)22-15-31-7-9-35-23-10-18(4-5-21(23)24(31)28-22)19-11-26-32(12-19)20-13-30(14-20)6-8-34/h4-5,10-12,15-16,20,34H,6-9,13-14H2,1-3H3
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0.110n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) assessed as 3,4,5-inositoltriphosphate formation after 30 mins by fluorescence polarization assay


J Med Chem 56: 4597-610 (2013)

More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (human))
BDBM127483
PNG
(US8791131, 261)
Show SMILES Cn1c2cnc3ccc(nc3c2n(C2CCN(CC2)C(=O)C(C)(C)O)c1=O)-c1cnc2[nH]ncc2c1
Show InChI InChI=1S/C25H26N8O3/c1-25(2,36)23(34)32-8-6-16(7-9-32)33-21-19(31(3)24(33)35)13-26-18-5-4-17(29-20(18)21)14-10-15-12-28-30-22(15)27-11-14/h4-5,10-13,16,36H,6-9H2,1-3H3,(H,27,28,30)
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0.114n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Compounds of the present invention were evaluated for potency against PI3-Kalpha using an in vitro kinase assay. PI3-Kalpha activity is measured in v...


US Patent US8791131 (2014)

More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (human))
BDBM50433529
PNG
(CHEMBL2381380)
Show SMILES CC(C)n1nc(N)nc1-c1nc-2c(CCOc3cc(ccc-23)-c2cnn(CC(C)(C)O)c2)s1
Show InChI InChI=1S/C23H27N7O2S/c1-13(2)30-20(27-22(24)28-30)21-26-19-16-6-5-14(9-17(16)32-8-7-18(19)33-21)15-10-25-29(11-15)12-23(3,4)31/h5-6,9-11,13,31H,7-8,12H2,1-4H3,(H2,24,28)
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0.130n/an/an/an/an/an/an/an/a



Genentech, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-fused human recombinant PI3Kalpha expressed in baculovirus infected SF9 cells after 1 hr by scintillation proximity assay in presen...


Bioorg Med Chem Lett 23: 2606-13 (2013)

More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (human))
BDBM50428107
PNG
(CHEMBL2331664 | PF-04979064 | US8791131, 257)
Show SMILES C[C@H](O)C(=O)N1CCC(CC1)n1c2c(cnc3ccc(nc23)-c2ccc(C)nc2)n(C)c1=O
Show InChI InChI=1S/C24H26N6O3/c1-14-4-5-16(12-25-14)18-6-7-19-21(27-18)22-20(13-26-19)28(3)24(33)30(22)17-8-10-29(11-9-17)23(32)15(2)31/h4-7,12-13,15,17,31H,8-11H2,1-3H3/t15-/m0/s1
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0.130n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human PI3Kalpha


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (human))
BDBM50433527
PNG
(CHEMBL2381379)
Show SMILES CC(C)(O)Cn1cc(cn1)-c1ccc2-c3nc(sc3CCOc2c1)-c1ncnn1CC(F)(F)F
Show InChI InChI=1S/C22H21F3N6O2S/c1-21(2,32)10-30-9-14(8-27-30)13-3-4-15-16(7-13)33-6-5-17-18(15)29-20(34-17)19-26-12-28-31(19)11-22(23,24)25/h3-4,7-9,12,32H,5-6,10-11H2,1-2H3
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0.140n/an/an/an/an/an/an/an/a



Genentech, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-fused human recombinant PI3Kalpha expressed in baculovirus infected SF9 cells after 1 hr by scintillation proximity assay in presen...


Bioorg Med Chem Lett 23: 2606-13 (2013)

More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (human))
BDBM50434807
PNG
(CHEMBL2387079)
Show SMILES CC(C)n1ncnc1-c1cn2CCOc3cc(ccc3-c2n1)-c1cnn(CC(C)(C)O)c1
Show InChI InChI=1S/C23H27N7O2/c1-15(2)30-22(24-14-26-30)19-12-28-7-8-32-20-9-16(5-6-18(20)21(28)27-19)17-10-25-29(11-17)13-23(3,4)31/h5-6,9-12,14-15,31H,7-8,13H2,1-4H3
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0.140n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) assessed as 3,4,5-inositoltriphosphate formation after 30 mins by fluorescence polarization assay


J Med Chem 56: 4597-610 (2013)

More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (human))
BDBM127489
PNG
(US8791131, 267)
Show SMILES Cn1c2cnc3ccc(nc3c2n([C@H]2CC[C@H](O)CC2)c1=O)-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C23H22N6O2/c1-28-20-12-24-19-9-8-17(13-2-7-18-14(10-13)11-25-27-18)26-21(19)22(20)29(23(28)31)15-3-5-16(30)6-4-15/h2,7-12,15-16,30H,3-6H2,1H3,(H,25,27)/t15-,16-
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US Patent
0.145n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Compounds of the present invention were evaluated for potency against PI3-Kalpha using an in vitro kinase assay. PI3-Kalpha activity is measured in v...


US Patent US8791131 (2014)

More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (human))
BDBM50433535
PNG
(CHEMBL2381374)
Show SMILES CC(C)n1ncnc1-c1nc-2c(CCOc3cc(ccc-23)-c2cnn(CC(C)(C)O)c2)s1
Show InChI InChI=1S/C23H26N6O2S/c1-14(2)29-21(24-13-26-29)22-27-20-17-6-5-15(9-18(17)31-8-7-19(20)32-22)16-10-25-28(11-16)12-23(3,4)30/h5-6,9-11,13-14,30H,7-8,12H2,1-4H3
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0.150n/an/an/an/an/an/an/an/a



Genentech, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-fused human recombinant PI3Kalpha expressed in baculovirus infected SF9 cells after 1 hr by scintillation proximity assay in presen...


Bioorg Med Chem Lett 23: 2606-13 (2013)

More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (human))
BDBM127482
PNG
(US8791131, 260)
Show SMILES COCC(=O)N1CCC(CC1)n1c2c(cnc3ccc(nc23)-c2cnc3[nH]ncc3c2)n(C)c1=O
Show InChI InChI=1S/C24H24N8O3/c1-30-19-12-25-18-4-3-17(14-9-15-11-27-29-23(15)26-10-14)28-21(18)22(19)32(24(30)34)16-5-7-31(8-6-16)20(33)13-35-2/h3-4,9-12,16H,5-8,13H2,1-2H3,(H,26,27,29)
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US Patent
0.167n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Compounds of the present invention were evaluated for potency against PI3-Kalpha using an in vitro kinase assay. PI3-Kalpha activity is measured in v...


US Patent US8791131 (2014)

More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (human))
BDBM50434812
PNG
(CHEMBL2387086)
Show SMILES CC(C)n1ncnc1-c1cn2CCOc3cc(ccc3-c2n1)-c1cnn(CCO)c1
Show InChI InChI=1S/C21H23N7O2/c1-14(2)28-21(22-13-24-28)18-12-26-6-8-30-19-9-15(3-4-17(19)20(26)25-18)16-10-23-27(11-16)5-7-29/h3-4,9-14,29H,5-8H2,1-2H3
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0.170n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) assessed as 3,4,5-inositoltriphosphate formation after 30 mins by fluorescence polarization assay


J Med Chem 56: 4597-610 (2013)

More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (human))
BDBM50433531
PNG
(CHEMBL2381378)
Show SMILES CC(C)n1nc(C)nc1-c1nc-2c(CCOc3cc(ccc-23)-c2cnn(CCO)c2)s1
Show InChI InChI=1S/C22H24N6O2S/c1-13(2)28-21(24-14(3)26-28)22-25-20-17-5-4-15(16-11-23-27(12-16)7-8-29)10-18(17)30-9-6-19(20)31-22/h4-5,10-13,29H,6-9H2,1-3H3
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0.180n/an/an/an/an/an/an/an/a



Genentech, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-fused human recombinant PI3Kalpha expressed in baculovirus infected SF9 cells after 1 hr by scintillation proximity assay in presen...


Bioorg Med Chem Lett 23: 2606-13 (2013)

More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (human))
BDBM50433528
PNG
(CHEMBL2381381)
Show SMILES CC(C)n1c(n[nH]c1=O)-c1nc-2c(CCOc3cc(ccc-23)-c2cnn(CC(C)(C)O)c2)s1
Show InChI InChI=1S/C23H26N6O3S/c1-13(2)29-20(26-27-22(29)30)21-25-19-16-6-5-14(9-17(16)32-8-7-18(19)33-21)15-10-24-28(11-15)12-23(3,4)31/h5-6,9-11,13,31H,7-8,12H2,1-4H3,(H,27,30)
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0.180n/an/an/an/an/an/an/an/a



Genentech, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-fused human recombinant PI3Kalpha expressed in baculovirus infected SF9 cells after 1 hr by scintillation proximity assay in presen...


Bioorg Med Chem Lett 23: 2606-13 (2013)

More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (human))
BDBM50428109
PNG
(CHEMBL2331668 | US8791131, 259)
Show SMILES CC(=O)N1CCC(CC1)n1c2c(cnc3ccc(nc23)-c2cnc3[nH]ncc3c2)n(C)c1=O
Show InChI InChI=1S/C23H22N8O2/c1-13(32)30-7-5-16(6-8-30)31-21-19(29(2)23(31)33)12-24-18-4-3-17(27-20(18)21)14-9-15-11-26-28-22(15)25-10-14/h3-4,9-12,16H,5-8H2,1-2H3,(H,25,26,28)
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0.191n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Compounds of the present invention were evaluated for potency against PI3-Kalpha using an in vitro kinase assay. PI3-Kalpha activity is measured in v...


US Patent US8791131 (2014)

More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (human))
BDBM50149483
PNG
(CHEMBL3770325)
Show SMILES CC(C)n1ncnc1-c1cn2CCOc3cc(ncc3-c2n1)N(C)CC(N)=O
Show InChI InChI=1S/C18H22N8O2/c1-11(2)26-18(21-10-22-26)13-8-25-4-5-28-14-6-16(24(3)9-15(19)27)20-7-12(14)17(25)23-13/h6-8,10-11H,4-5,9H2,1-3H3,(H2,19,27)
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0.200n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3K alpha (unknown origin) using PIP2 as substrate by fluorescence polarization assay


J Med Chem 59: 985-1002 (2016)

More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (human))
BDBM50149548
PNG
(CHEMBL3771364)
Show SMILES CC(C)n1ncnc1-c1cn2CCOc3cc(O[C@@H](C)C(N)=O)ccc3-c2n1
Show InChI InChI=1/C19H22N6O3/c1-11(2)25-19(21-10-22-25)15-9-24-6-7-27-16-8-13(28-12(3)17(20)26)4-5-14(16)18(24)23-15/h4-5,8-12H,6-7H2,1-3H3,(H2,20,26)/t12-/s2
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0.200n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3K alpha (unknown origin) using PIP2 as substrate by fluorescence polarization assay


J Med Chem 59: 985-1002 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphoinositide 3-Kinase (PI3K), alpha


(Homo sapiens (human))
BDBM207061
PNG
(US9260439, 38)
Show SMILES CNS(=O)(=O)N1CC[C@@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1/C19H27N9O3S/c1-21-32(29,30)27-4-2-14(12-27)28-5-3-15-16(13-10-22-18(20)23-11-13)24-19(25-17(15)28)26-6-8-31-9-7-26/h10-11,14,21H,2-9,12H2,1H3,(H2,20,22,23)/t14-/s2
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0.228n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
PI3KA_FL: Genes encoding for full length p110alpha and p85alpha subunits of PI3Kalpha complex were subcloned from existing constructs into pFASTBAC D...


US Patent US9260439 (2016)

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


(Homo sapiens (human))
BDBM207123
PNG
(US9260439, 100)
Show SMILES C[C@H]1COCCN1c1nc2N(CCc2c(n1)-c1cnc(N)nc1)[C@H]1CCN(C1)S(N)(=O)=O
Show InChI InChI=1/C19H27N9O3S/c1-12-11-31-7-6-27(12)19-24-16(13-8-22-18(20)23-9-13)15-3-5-28(17(15)25-19)14-2-4-26(10-14)32(21,29)30/h8-9,12,14H,2-7,10-11H2,1H3,(H2,20,22,23)(H2,21,29,30)/t12-,14-/s2
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<0.229n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
PI3KA_FL: Genes encoding for full length p110alpha and p85alpha subunits of PI3Kalpha complex were subcloned from existing constructs into pFASTBAC D...


US Patent US9260439 (2016)

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


(Homo sapiens (human))
BDBM207045
PNG
(US9260439, 22)
Show SMILES CN([C@H]1C[C@@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1)S(C)(=O)=O
Show InChI InChI=1/C20H28N8O3S/c1-26(32(2,29)30)14-9-15(10-14)28-4-3-16-17(13-11-22-19(21)23-12-13)24-20(25-18(16)28)27-5-7-31-8-6-27/h11-12,14-15H,3-10H2,1-2H3,(H2,21,22,23)/t14-,15-
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<0.229n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
PI3KA_FL: Genes encoding for full length p110alpha and p85alpha subunits of PI3Kalpha complex were subcloned from existing constructs into pFASTBAC D...


US Patent US9260439 (2016)

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


(Homo sapiens (human))
BDBM207048
PNG
(US9260439, 25)
Show SMILES Nc1ncc(cn1)-c1nc(nc2N(CCc12)[C@H]1CCN(C1)C(=O)CO)N1CCOCC1
Show InChI InChI=1/C20H26N8O3/c21-19-22-9-13(10-23-19)17-15-2-4-28(14-1-3-27(11-14)16(30)12-29)18(15)25-20(24-17)26-5-7-31-8-6-26/h9-10,14,29H,1-8,11-12H2,(H2,21,22,23)/t14-/s2
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<0.229n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
PI3KA_FL: Genes encoding for full length p110alpha and p85alpha subunits of PI3Kalpha complex were subcloned from existing constructs into pFASTBAC D...


US Patent US9260439 (2016)

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


(Homo sapiens (human))
BDBM207054
PNG
(US9260439, 31)
Show SMILES CC(C)[C@@H](O)C(=O)N1CC[C@@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1/C23H32N8O3/c1-14(2)19(32)21(33)30-5-3-16(13-30)31-6-4-17-18(15-11-25-22(24)26-12-15)27-23(28-20(17)31)29-7-9-34-10-8-29/h11-12,14,16,19,32H,3-10,13H2,1-2H3,(H2,24,25,26)/t16-,19+/s2
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<0.229n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
PI3KA_FL: Genes encoding for full length p110alpha and p85alpha subunits of PI3Kalpha complex were subcloned from existing constructs into pFASTBAC D...


US Patent US9260439 (2016)

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


(Homo sapiens (human))
BDBM207082
PNG
(US9260439, 59)
Show SMILES Nc1ncc(cn1)-c1nc(nc2N(CCc12)[C@H]1C[C@@H](C1)C#N)N1CCOCC1
Show InChI InChI=1/C19H22N8O/c20-9-12-7-14(8-12)27-2-1-15-16(13-10-22-18(21)23-11-13)24-19(25-17(15)27)26-3-5-28-6-4-26/h10-12,14H,1-8H2,(H2,21,22,23)/t12-,14-
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<0.229n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
PI3KA_FL: Genes encoding for full length p110alpha and p85alpha subunits of PI3Kalpha complex were subcloned from existing constructs into pFASTBAC D...


US Patent US9260439 (2016)

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


(Homo sapiens (human))
BDBM207088
PNG
(US9260439, 65)
Show SMILES Nc1ncc(cn1)-c1nc(nc2N(CCc12)[C@H]1C[C@H](F)C1)N1CCOCC1
Show InChI InChI=1/C18H22FN7O/c19-12-7-13(8-12)26-2-1-14-15(11-9-21-17(20)22-10-11)23-18(24-16(14)26)25-3-5-27-6-4-25/h9-10,12-13H,1-8H2,(H2,20,21,22)/t12-,13-
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<0.229n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
PI3KA_FL: Genes encoding for full length p110alpha and p85alpha subunits of PI3Kalpha complex were subcloned from existing constructs into pFASTBAC D...


US Patent US9260439 (2016)

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


(Homo sapiens (human))
BDBM207124
PNG
(US9260439, 101)
Show SMILES CCS(=O)(=O)N1CC[C@@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1/C20H28N8O3S/c1-2-32(29,30)27-5-3-15(13-27)28-6-4-16-17(14-11-22-19(21)23-12-14)24-20(25-18(16)28)26-7-9-31-10-8-26/h11-12,15H,2-10,13H2,1H3,(H2,21,22,23)/t15-/s2
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<0.229n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
PI3KA_FL: Genes encoding for full length p110alpha and p85alpha subunits of PI3Kalpha complex were subcloned from existing constructs into pFASTBAC D...


US Patent US9260439 (2016)

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


(Homo sapiens (human))
BDBM207125
PNG
(US9260439, 102)
Show SMILES Nc1ncc(cn1)-c1nc(nc2N(CCc12)[C@H]1CCN(C1)S(=O)(=O)C1CC1)N1CCOCC1
Show InChI InChI=1/C21H28N8O3S/c22-20-23-11-14(12-24-20)18-17-4-6-29(15-3-5-28(13-15)33(30,31)16-1-2-16)19(17)26-21(25-18)27-7-9-32-10-8-27/h11-12,15-16H,1-10,13H2,(H2,22,23,24)/t15-/s2
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<0.229n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
PI3KA_FL: Genes encoding for full length p110alpha and p85alpha subunits of PI3Kalpha complex were subcloned from existing constructs into pFASTBAC D...


US Patent US9260439 (2016)

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


(Homo sapiens (human))
BDBM207127
PNG
(US9260439, 104)
Show SMILES CNS(=O)(=O)O[C@H]1C[C@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1/C19H26N8O4S/c1-21-32(28,29)31-14-8-13(9-14)27-3-2-15-16(12-10-22-18(20)23-11-12)24-19(25-17(15)27)26-4-6-30-7-5-26/h10-11,13-14,21H,2-9H2,1H3,(H2,20,22,23)/t13-,14+
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<0.229n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
PI3KA_FL: Genes encoding for full length p110alpha and p85alpha subunits of PI3Kalpha complex were subcloned from existing constructs into pFASTBAC D...


US Patent US9260439 (2016)

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


(Homo sapiens (human))
BDBM207129
PNG
(US9260439, 106)
Show SMILES CC(C)S(=O)(=O)N1CC[C@@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1/C21H30N8O3S/c1-14(2)33(30,31)28-5-3-16(13-28)29-6-4-17-18(15-11-23-20(22)24-12-15)25-21(26-19(17)29)27-7-9-32-10-8-27/h11-12,14,16H,3-10,13H2,1-2H3,(H2,22,23,24)/t16-/s2
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<0.229n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
PI3KA_FL: Genes encoding for full length p110alpha and p85alpha subunits of PI3Kalpha complex were subcloned from existing constructs into pFASTBAC D...


US Patent US9260439 (2016)

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


(Homo sapiens (human))
BDBM207131
PNG
(US9260439, 108)
Show SMILES CCS(=O)(=O)N1CC(C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C19H26N8O3S/c1-2-31(28,29)26-11-14(12-26)27-4-3-15-16(13-9-21-18(20)22-10-13)23-19(24-17(15)27)25-5-7-30-8-6-25/h9-10,14H,2-8,11-12H2,1H3,(H2,20,21,22)
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<0.229n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
PI3KA_FL: Genes encoding for full length p110alpha and p85alpha subunits of PI3Kalpha complex were subcloned from existing constructs into pFASTBAC D...


US Patent US9260439 (2016)

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


(Homo sapiens (human))
BDBM207132
PNG
(US9260439, 109)
Show SMILES Nc1ncc(cn1)-c1nc(nc2N(CCc12)C1CN(C1)S(=O)(=O)C1CC1)N1CCOCC1
Show InChI InChI=1S/C20H26N8O3S/c21-19-22-9-13(10-23-19)17-16-3-4-28(14-11-27(12-14)32(29,30)15-1-2-15)18(16)25-20(24-17)26-5-7-31-8-6-26/h9-10,14-15H,1-8,11-12H2,(H2,21,22,23)
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<0.229n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
PI3KA_FL: Genes encoding for full length p110alpha and p85alpha subunits of PI3Kalpha complex were subcloned from existing constructs into pFASTBAC D...


US Patent US9260439 (2016)

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


(Homo sapiens (human))
BDBM207134
PNG
(US9260439, 111)
Show SMILES CC(C)S(=O)(=O)N1CC[C@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1/C21H30N8O3S/c1-14(2)33(30,31)28-5-3-16(13-28)29-6-4-17-18(15-11-23-20(22)24-12-15)25-21(26-19(17)29)27-7-9-32-10-8-27/h11-12,14,16H,3-10,13H2,1-2H3,(H2,22,23,24)/t16-/s2
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<0.229n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
PI3KA_FL: Genes encoding for full length p110alpha and p85alpha subunits of PI3Kalpha complex were subcloned from existing constructs into pFASTBAC D...


US Patent US9260439 (2016)

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


(Homo sapiens (human))
BDBM207136
PNG
(US9260439, 113)
Show SMILES C[C@H]1COCCN1c1nc2N(CCc2c(n1)-c1cnc(N)nc1)C1CN(C1)S(C)(=O)=O
Show InChI InChI=1/C19H26N8O3S/c1-12-11-30-6-5-26(12)19-23-16(13-7-21-18(20)22-8-13)15-3-4-27(17(15)24-19)14-9-25(10-14)31(2,28)29/h7-8,12,14H,3-6,9-11H2,1-2H3,(H2,20,21,22)/t12-/s2
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<0.229n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
PI3KA_FL: Genes encoding for full length p110alpha and p85alpha subunits of PI3Kalpha complex were subcloned from existing constructs into pFASTBAC D...


US Patent US9260439 (2016)

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


(Homo sapiens (human))
BDBM207138
PNG
(US9260439, 115)
Show SMILES CCS(=O)(=O)N1CC(C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOC[C@@H]1C
Show InChI InChI=1/C20H28N8O3S/c1-3-32(29,30)26-10-15(11-26)28-5-4-16-17(14-8-22-19(21)23-9-14)24-20(25-18(16)28)27-6-7-31-12-13(27)2/h8-9,13,15H,3-7,10-12H2,1-2H3,(H2,21,22,23)/t13-/s2
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<0.229n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
PI3KA_FL: Genes encoding for full length p110alpha and p85alpha subunits of PI3Kalpha complex were subcloned from existing constructs into pFASTBAC D...


US Patent US9260439 (2016)

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


(Homo sapiens (human))
BDBM207141
PNG
(US9260439, 118)
Show SMILES C[C@H]1COCCN1c1nc2N(CCc2c(n1)-c1cnc(N)nc1)C1CN(C1)S(=O)(=O)C1CC1
Show InChI InChI=1/C21H28N8O3S/c1-13-12-32-7-6-28(13)21-25-18(14-8-23-20(22)24-9-14)17-4-5-29(19(17)26-21)15-10-27(11-15)33(30,31)16-2-3-16/h8-9,13,15-16H,2-7,10-12H2,1H3,(H2,22,23,24)/t13-/s2
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<0.229n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
PI3KA_FL: Genes encoding for full length p110alpha and p85alpha subunits of PI3Kalpha complex were subcloned from existing constructs into pFASTBAC D...


US Patent US9260439 (2016)

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


(Homo sapiens (human))
BDBM207143
PNG
(US9260439, 120)
Show SMILES C[C@H]1COCCN1c1nc2N(CCc2c(n1)-c1cnc(N)nc1)C1CN(C1)S(=O)(=O)N(C)C
Show InChI InChI=1/C20H29N9O3S/c1-13-12-32-7-6-28(13)20-24-17(14-8-22-19(21)23-9-14)16-4-5-29(18(16)25-20)15-10-27(11-15)33(30,31)26(2)3/h8-9,13,15H,4-7,10-12H2,1-3H3,(H2,21,22,23)/t13-/s2
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<0.229n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
PI3KA_FL: Genes encoding for full length p110alpha and p85alpha subunits of PI3Kalpha complex were subcloned from existing constructs into pFASTBAC D...


US Patent US9260439 (2016)

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


(Homo sapiens (human))
BDBM207144
PNG
(US9260439, 121)
Show SMILES C[C@H]1COCCN1c1nc2N(CCc2c(n1)-c1cnc(N)nc1)[C@H]1CCN(C1)S(=O)(=O)C1CC1
Show InChI InChI=1/C22H30N8O3S/c1-14-13-33-9-8-29(14)22-26-19(15-10-24-21(23)25-11-15)18-5-7-30(20(18)27-22)16-4-6-28(12-16)34(31,32)17-2-3-17/h10-11,14,16-17H,2-9,12-13H2,1H3,(H2,23,24,25)/t14-,16-/s2
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<0.229n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
PI3KA_FL: Genes encoding for full length p110alpha and p85alpha subunits of PI3Kalpha complex were subcloned from existing constructs into pFASTBAC D...


US Patent US9260439 (2016)

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


(Homo sapiens (human))
BDBM207145
PNG
(US9260439, 122)
Show SMILES CNS(=O)(=O)N1CC(C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOC[C@@H]1C
Show InChI InChI=1/C19H27N9O3S/c1-12-11-31-6-5-27(12)19-24-16(13-7-22-18(20)23-8-13)15-3-4-28(17(15)25-19)14-9-26(10-14)32(29,30)21-2/h7-8,12,14,21H,3-6,9-11H2,1-2H3,(H2,20,22,23)/t12-/s2
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<0.229n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
PI3KA_FL: Genes encoding for full length p110alpha and p85alpha subunits of PI3Kalpha complex were subcloned from existing constructs into pFASTBAC D...


US Patent US9260439 (2016)

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


(Homo sapiens (human))
BDBM207146
PNG
(US9260439, 123)
Show SMILES COC(=O)N1CC[C@@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOC[C@@H]1C
Show InChI InChI=1/C21H28N8O3/c1-13-12-32-8-7-28(13)20-25-17(14-9-23-19(22)24-10-14)16-4-6-29(18(16)26-20)15-3-5-27(11-15)21(30)31-2/h9-10,13,15H,3-8,11-12H2,1-2H3,(H2,22,23,24)/t13-,15-/s2
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<0.229n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
PI3KA_FL: Genes encoding for full length p110alpha and p85alpha subunits of PI3Kalpha complex were subcloned from existing constructs into pFASTBAC D...


US Patent US9260439 (2016)

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


(Homo sapiens (human))
BDBM207148
PNG
(US9260439, 125)
Show SMILES CCOC(=O)N1CC[C@@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOC[C@@H]1C
Show InChI InChI=1/C22H30N8O3/c1-3-33-22(31)28-6-4-16(12-28)30-7-5-17-18(15-10-24-20(23)25-11-15)26-21(27-19(17)30)29-8-9-32-13-14(29)2/h10-11,14,16H,3-9,12-13H2,1-2H3,(H2,23,24,25)/t14-,16-/s2
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<0.229n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
PI3KA_FL: Genes encoding for full length p110alpha and p85alpha subunits of PI3Kalpha complex were subcloned from existing constructs into pFASTBAC D...


US Patent US9260439 (2016)

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


(Homo sapiens (human))
BDBM207149
PNG
(US9260439, 126)
Show SMILES C[C@H]1COCCN1c1nc2N(CCc2c(n1)-c1cnc(N)nc1)C1CN(C1)S(N)(=O)=O
Show InChI InChI=1/C18H25N9O3S/c1-11-10-30-5-4-26(11)18-23-15(12-6-21-17(19)22-7-12)14-2-3-27(16(14)24-18)13-8-25(9-13)31(20,28)29/h6-7,11,13H,2-5,8-10H2,1H3,(H2,19,21,22)(H2,20,28,29)/t11-/s2
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<0.229n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
PI3KA_FL: Genes encoding for full length p110alpha and p85alpha subunits of PI3Kalpha complex were subcloned from existing constructs into pFASTBAC D...


US Patent US9260439 (2016)

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


(Homo sapiens (human))
BDBM207151
PNG
(US9260439, 128)
Show SMILES CNS(=O)(=O)N1C[C@@H](O)[C@@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOC[C@@H]1C
Show InChI InChI=1/C20H29N9O4S/c1-12-11-33-6-5-28(12)20-25-17(13-7-23-19(21)24-8-13)14-3-4-29(18(14)26-20)15-9-27(10-16(15)30)34(31,32)22-2/h7-8,12,15-16,22,30H,3-6,9-11H2,1-2H3,(H2,21,23,24)/t12-,15+,16+/s2
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<0.229n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
PI3KA_FL: Genes encoding for full length p110alpha and p85alpha subunits of PI3Kalpha complex were subcloned from existing constructs into pFASTBAC D...


US Patent US9260439 (2016)

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


(Homo sapiens (human))
BDBM207154
PNG
(US9260439, 131)
Show SMILES CC(C)S(=O)(=O)N1CC[C@@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOC[C@@H]1C
Show InChI InChI=1/C22H32N8O3S/c1-14(2)34(31,32)28-6-4-17(12-28)30-7-5-18-19(16-10-24-21(23)25-11-16)26-22(27-20(18)30)29-8-9-33-13-15(29)3/h10-11,14-15,17H,4-9,12-13H2,1-3H3,(H2,23,24,25)/t15-,17-/s2
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<0.229n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
PI3KA_FL: Genes encoding for full length p110alpha and p85alpha subunits of PI3Kalpha complex were subcloned from existing constructs into pFASTBAC D...


US Patent US9260439 (2016)

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


(Homo sapiens (human))
BDBM207155
PNG
(US9260439, 132)
Show SMILES CC(C)(C)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C18H25N7O/c1-18(2,3)25-5-4-13-14(12-10-20-16(19)21-11-12)22-17(23-15(13)25)24-6-8-26-9-7-24/h10-11H,4-9H2,1-3H3,(H2,19,20,21)
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<0.229n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
PI3KA_FL: Genes encoding for full length p110alpha and p85alpha subunits of PI3Kalpha complex were subcloned from existing constructs into pFASTBAC D...


US Patent US9260439 (2016)

More data for this
Ligand-Target Pair
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