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Compile Data Set for Download or QSAR

Found 21 hits Enz. Inhib. hit(s) with Target = 'Phosphatidylinositol-4-phosphate 3-kinase C2 domain-containing subunit alpha'   
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
Phosphatidylinositol 4-phosphate 3-kinase C2 alpha (PIK3C2A)


(Homo sapiens (Human))
BDBM50341209
PNG
(9-(6-aminopyridin-3-yl)-1-(3-(trifluoromethyl)phen...)
Show SMILES Nc1ccc(cn1)-c1ccc2ncc3ccc(=O)n(-c4cccc(c4)C(F)(F)F)c3c2c1
Show InChI InChI=1S/C24H15F3N4O/c25-24(26,27)17-2-1-3-18(11-17)31-22(32)9-6-16-13-29-20-7-4-14(10-19(20)23(16)31)15-5-8-21(28)30-12-15/h1-13H,(H2,28,30)
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n/an/a 28n/an/an/an/an/an/a



Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of PI3K-C2alpha


J Med Chem 54: 1473-80 (2011)

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


(Homo sapiens (Human))
BDBM50042923
PNG
(CHEMBL3354566)
Show SMILES Cn1c2cnc3ccc(cc3c2n(-c2ccc(cc2)C2(CC2)C#N)c1=O)-c1cnc2ccccc2c1
Show InChI InChI=1S/C30H21N5O/c1-34-27-17-33-26-11-6-19(21-14-20-4-2-3-5-25(20)32-16-21)15-24(26)28(27)35(29(34)36)23-9-7-22(8-10-23)30(18-31)12-13-30/h2-11,14-17H,12-13H2,1H3
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n/an/a 34n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of human PI3KC2alpha by non-radiometric ADP-Glo assay


ACS Med Chem Lett 6: 3-6 (2015)

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


(Homo sapiens (Human))
BDBM81368
PNG
(PIK90)
Show SMILES COc1ccc2C3=NCCN3C(NC(=O)c3cccnc3)=Nc2c1OC
Show InChI InChI=1S/C18H17N5O3/c1-25-13-6-5-12-14(15(13)26-2)21-18(23-9-8-20-16(12)23)22-17(24)11-4-3-7-19-10-11/h3-7,10H,8-9H2,1-2H3,(H,21,22,24)
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n/an/a 47n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of human PI3KC2alpha by non-radiometric ADP-Glo assay


ACS Med Chem Lett 6: 3-6 (2015)

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


(Homo sapiens (Human))
BDBM50042925
PNG
(CHEMBL3218571)
Show SMILES Fc1ccc(CN2C(=O)COc3ccc(\C=C4\SC(=S)NC4=O)cc23)cc1Cl
Show InChI InChI=1S/C19H12ClFN2O3S2/c20-12-5-11(1-3-13(12)21)8-23-14-6-10(2-4-15(14)26-9-17(23)24)7-16-18(25)22-19(27)28-16/h1-7H,8-9H2,(H,22,25,27)/b16-7+
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n/an/a 140n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of human PI3KC2alpha by non-radiometric ADP-Glo assay


ACS Med Chem Lett 6: 3-6 (2015)

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


(Homo sapiens (Human))
BDBM50328584
PNG
(1-(4-(4-Propionylpiperazin-1-yl)-3-(trifluoromethy...)
Show SMILES CCC(=O)N1CCN(CC1)c1ccc(cc1C(F)(F)F)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnc2ccccc2c1
Show InChI InChI=1S/C35H28F3N5O2/c1-2-32(44)42-15-13-41(14-16-42)31-11-9-26(19-28(31)35(36,37)38)43-33(45)12-8-24-20-40-30-10-7-22(18-27(30)34(24)43)25-17-23-5-3-4-6-29(23)39-21-25/h3-12,17-21H,2,13-16H2,1H3
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n/an/a 176n/an/an/an/an/an/a



Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of PI3K-C2 alpha


J Med Chem 53: 7146-55 (2010)

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


(Homo sapiens (Human))
BDBM25045
PNG
(3-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin...)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
Show InChI InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2
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n/an/a 1.00E+3n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of human PI3KC2alpha by non-radiometric ADP-Glo assay


ACS Med Chem Lett 6: 3-6 (2015)

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
Phosphatidylinositol 4-phosphate 3-kinase C2 alpha (PIK3C2A)


(Homo sapiens (Human))
BDBM50346961
PNG
(CHEMBL1795875)
Show SMILES CN1CCC(CC1)NC(=O)c1ccc(cc1)-c1ccc(cc1C(F)(F)F)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnc2ccccc2c1
Show InChI InChI=1S/C41H32F3N5O2/c1-48-18-16-31(17-19-48)47-40(51)26-8-6-25(7-9-26)33-13-12-32(22-35(33)41(42,43)44)49-38(50)15-11-29-23-46-37-14-10-27(21-34(37)39(29)49)30-20-28-4-2-3-5-36(28)45-24-30/h2-15,20-24,31H,16-19H2,1H3,(H,47,51)
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n/an/a 1.11E+3n/an/an/an/an/an/a



Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of PI3K C2alpha


Bioorg Med Chem Lett 21: 4036-40 (2011)

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


(Homo sapiens (Human))
BDBM50358204
PNG
(CHEMBL1922094)
Show SMILES C[C@H](O)C(=O)N1CCN(Cc2sc3c(nc(nc3c2C)-c2cnc(N)nc2)N2CCOCC2)CC1
Show InChI InChI=1S/C23H30N8O3S/c1-14-17(13-29-3-5-31(6-4-29)22(33)15(2)32)35-19-18(14)27-20(16-11-25-23(24)26-12-16)28-21(19)30-7-9-34-10-8-30/h11-12,15,32H,3-10,13H2,1-2H3,(H2,24,25,26)/t15-/m0/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PIKKC2alpha


J Med Chem 54: 7579-87 (2011)

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


(Homo sapiens (Human))
BDBM50436477
PNG
(CHEMBL2397315)
Show SMILES C[C@@H](CC(F)(F)F)C(=O)Nc1nc(C)c(s1)-c1ccc(N)nc1
Show InChI InChI=1S/C14H15F3N4OS/c1-7(5-14(15,16)17)12(22)21-13-20-8(2)11(23-13)9-3-4-10(18)19-6-9/h3-4,6-7H,5H2,1-2H3,(H2,18,19)(H,20,21,22)/t7-/m0/s1
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n/an/a 4.80E+3n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PIK3C2A (unknown origin)


Bioorg Med Chem Lett 23: 3841-7 (2013)

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


(Homo sapiens (Human))
BDBM185152
PNG
(STK16-IN-1)
Show SMILES Oc1cc(ccc1F)-n1c2c3cc[nH]c3ncc2ccc1=O
Show InChI InChI=1S/C16H10FN3O2/c17-12-3-2-10(7-13(12)21)20-14(22)4-1-9-8-19-16-11(15(9)20)5-6-18-16/h1-8,21H,(H,18,19)
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n/an/a 4.86E+3n/an/an/an/an/an/a



Chinese Academy of Sciences



Assay Description
The enzymatic assay was performed using the LifeTechnology SelectScreen.


ACS Chem Biol 11: 1537-43 (2016)

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


(Homo sapiens (Human))
BDBM50042922
PNG
(CHEMBL3218581)
Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1csc(n1)C(C)(C)C
Show InChI InChI=1/C17H23N5O2S2/c1-9-12(10-8-25-14(20-10)17(2,3)4)26-15(19-9)21-16(24)22-7-5-6-11(22)13(18)23/h8,11H,5-7H2,1-4H3,(H2,18,23)(H,19,21,24)/t11-/s2
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n/an/a>5.00E+3n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of human PI3KC2alpha by non-radiometric ADP-Glo assay


ACS Med Chem Lett 6: 3-6 (2015)

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


(Homo sapiens (Human))
BDBM50434806
PNG
(CHEMBL2387080)
Show SMILES CC(C)n1nc(C)nc1-c1cn2CCOc3cc(ccc3-c2n1)-c1cnn(c1)C(C)(C)C(N)=O
Show InChI InChI=1S/C24H28N8O2/c1-14(2)32-22(27-15(3)29-32)19-13-30-8-9-34-20-10-16(6-7-18(20)21(30)28-19)17-11-26-31(12-17)24(4,5)23(25)33/h6-7,10-14H,8-9H2,1-5H3,(H2,25,33)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PI3KC2alpha (unknown origin)


J Med Chem 56: 4597-610 (2013)

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


(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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n/an/a>1.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PIK3C2alpha


J Med Chem 55: 5188-219 (2012)

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


(Homo sapiens (Human))
BDBM50338197
PNG
(5-(7-(methylsulfonyl)-2-morpholino-6,7-dihydro-5H-...)
Show SMILES CS(=O)(=O)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C15H19N7O3S/c1-26(23,24)22-3-2-11-12(10-8-17-14(16)18-9-10)19-15(20-13(11)22)21-4-6-25-7-5-21/h8-9H,2-7H2,1H3,(H2,16,17,18)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of PI3KC2alpha


Bioorg Med Chem Lett 21: 1767-72 (2011)

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


(Homo sapiens (Human))
BDBM60631
PNG
(BDBM50447096 | US9133168, 19b)
Show SMILES C[C@H]1Cc2ccccc2N1C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1
Show InChI InChI=1/C19H22N4O3/c1-13-10-14-4-2-3-5-15(14)23(13)19(25)11-16-20-17(12-18(24)21-16)22-6-8-26-9-7-22/h2-5,12-13H,6-11H2,1H3,(H,20,21,24)/t13-/s2
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of PI3KC2alpha (unknown origin)


J Med Chem 57: 903-20 (2014)

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


(Homo sapiens (Human))
BDBM50436476
PNG
(CHEMBL2397316)
Show SMILES Cc1nc(NC(=O)C(C)(C)CC(F)(F)F)sc1-c1ccc(N)nc1
Show InChI InChI=1S/C15H17F3N4OS/c1-8-11(9-4-5-10(19)20-6-9)24-13(21-8)22-12(23)14(2,3)7-15(16,17)18/h4-6H,7H2,1-3H3,(H2,19,20)(H,21,22,23)
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n/an/a 1.20E+4n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PIK3C2A (unknown origin)


Bioorg Med Chem Lett 23: 3841-7 (2013)

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


(Homo sapiens (Human))
BDBM50042924
PNG
(CHEMBL1229535)
Show SMILES CC(=O)\N=c1\[nH]c(C)c(s1)-c1ccc(Cl)c(c1)S(=O)(=O)NCCO
Show InChI InChI=1S/C14H16ClN3O4S2/c1-8-13(23-14(17-8)18-9(2)20)10-3-4-11(15)12(7-10)24(21,22)16-5-6-19/h3-4,7,16,19H,5-6H2,1-2H3,(H,17,18,20)
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n/an/a 1.60E+4n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of human PI3KC2alpha by non-radiometric ADP-Glo assay


ACS Med Chem Lett 6: 3-6 (2015)

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


(Homo sapiens (Human))
BDBM12915
PNG
(2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one |...)
Show SMILES O=c1cc(oc2c(cccc12)-c1ccccc1)N1CCOCC1
Show InChI InChI=1S/C19H17NO3/c21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13H,9-12H2
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n/an/a 2.70E+4n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of human PI3KC2alpha by non-radiometric ADP-Glo assay


ACS Med Chem Lett 6: 3-6 (2015)

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


(Homo sapiens (Human))
BDBM50315213
PNG
(2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-t...)
Show SMILES FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C19H21F2N7O2/c20-15(21)16-22-13-3-1-2-4-14(13)28(16)19-24-17(26-5-9-29-10-6-26)23-18(25-19)27-7-11-30-12-8-27/h1-4,15H,5-12H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of human PI3KC2alpha by non-radiometric ADP-Glo assay


ACS Med Chem Lett 6: 3-6 (2015)

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


(Homo sapiens (Human))
BDBM25028
PNG
(4-[2-(1H-indazol-4-yl)-6-[(4-methanesulfonylpipera...)
Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
Show InChI InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of human PI3KC2alpha by non-radiometric ADP-Glo assay


ACS Med Chem Lett 6: 3-6 (2015)

More data for this
Ligand-Target Pair