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Compile Data Set for Download or QSAR

Found 438 hits Enz. Inhib. hit(s) with Target = 'Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta'   
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-phosphate 3-kinase C2 domain-containing subunit beta


(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 10n/an/an/an/a7.422



Astellas Pharma Inc.



Assay Description
The test compounds and enzyme were mixed in buffer, and the substrate and [gamma-33P] ATP/ATP were added to the mixture to initiate the reaction. Aft...


Bioorg Med Chem 15: 5837-44 (2007)


Article DOI: 10.1016/j.bmc.2007.05.070
BindingDB Entry DOI: 10.7270/Q2X928M7
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta


(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 10n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kc2beta


Bioorg Med Chem Lett 17: 2438-42 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.032
BindingDB Entry DOI: 10.7270/Q28053F2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta


(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 25n/an/an/an/an/an/a



Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of PI3K-C2beta


J Med Chem 54: 1473-80 (2011)


Article DOI: 10.1021/jm101520v
BindingDB Entry DOI: 10.7270/Q2S46S8H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta


(Homo sapiens (Human))
BDBM50197065
PNG
(CHEMBL3913354)
Show SMILES Oc1cccc(c1)-c1cc2c3cccnc3oc2c(n1)N1CCOCC1
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n/an/a 26n/an/an/an/an/an/a



Curtin University

Curated by ChEMBL


Assay Description
Inhibition of PI3KC2beta (unknown origin) expressed in HEK293 cells using phosphatidylinositol and gamma-32P-ATP incubated for 20 mins by TLC assay o...


J Med Chem 60: 47-65 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00963
BindingDB Entry DOI: 10.7270/Q2PG1TPX
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta


(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 26n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of human PI3KC2beta by non-radiometric ADP-Glo assay


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


Article DOI: 10.1021/ml500354e
BindingDB Entry DOI: 10.7270/Q2M61MWR
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta


(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 29n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PIK3C2beta


J Med Chem 55: 5188-219 (2012)


Article DOI: 10.1021/jm300184s
BindingDB Entry DOI: 10.7270/Q23F4QSJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta


(Homo sapiens (Human))
CHEMBL4126156
PNG
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n/an/a 32n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta


(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 44n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of human PI3KC2beta by non-radiometric ADP-Glo assay


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


Article DOI: 10.1021/ml500354e
BindingDB Entry DOI: 10.7270/Q2M61MWR
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta


(Homo sapiens (Human))
BDBM92862
PNG
(US9284315, BEZ-235 | mTOR Inhibitor, BEZ235)
Show SMILES Cn1c2cnc3ccc(cc3c2n(-c2ccc(cc2)C(C)(C)C#N)c1=O)-c1cnc2ccccc2c1
Show InChI InChI=1S/C30H23N5O/c1-30(2,18-31)22-9-11-23(12-10-22)35-28-24-15-19(21-14-20-6-4-5-7-25(20)32-16-21)8-13-26(24)33-17-27(28)34(3)29(35)36/h4-17H,1-3H3
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n/an/a 44n/an/an/an/an/an/a



Curtin University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3KC2beta using substrate PI incubated for 1 hr by Adapta kinase assay


J Med Chem 60: 47-65 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00963
BindingDB Entry DOI: 10.7270/Q2PG1TPX
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta


(Homo sapiens (Human))
BDBM81368
PNG
(PIK90)
Show SMILES COc1ccc2C3=NCCN3C(NC(=O)c3cccnc3)=Nc2c1OC |c:22,t:6|
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 64n/an/an/an/an/an/a



Curtin University

Curated by ChEMBL


Assay Description
Inhibition of PI3KC2beta (unknown origin) expressed in HEK293 cells using phosphatidylinositol and gamma-32P-ATP incubated for 20 mins by TLC assay o...


J Med Chem 60: 47-65 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00963
BindingDB Entry DOI: 10.7270/Q2PG1TPX
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta


(Homo sapiens (Human))
BDBM81368
PNG
(PIK90)
Show SMILES COc1ccc2C3=NCCN3C(NC(=O)c3cccnc3)=Nc2c1OC |c:22,t:6|
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 64n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of human PI3KC2beta by non-radiometric ADP-Glo assay


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


Article DOI: 10.1021/ml500354e
BindingDB Entry DOI: 10.7270/Q2M61MWR
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta


(Homo sapiens (Human))
BDBM348220
PNG
(US9790228, Compound 139)
Show SMILES Nc1ncc2cc(ccc2n1)-c1nn(Cc2cc3ccccc3nc2N2CCOCC2)c2ncnc(N)c12
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n/an/a<100n/an/an/an/an/an/a



Intellikine LLC

US Patent




US Patent US9790228 (2017)


BindingDB Entry DOI: 10.7270/Q26112FV
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta


(Homo sapiens (Human))
BDBM348161
PNG
(US9790228, Compound 80)
Show SMILES CN1CCN(CC1)c1nc2ccccc2cc1Cn1nc(-c2ccc3cc(N)sc3c2)c2c(N)ccnc12
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Intellikine LLC

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US Patent US9790228 (2017)


BindingDB Entry DOI: 10.7270/Q26112FV
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta


(Homo sapiens (Human))
BDBM25056
PNG
(4-{6-chloroimidazo[1,2-a]pyridin-3-yl}-2-[(2-methy...)
Show SMILES Cc1ccc(cc1S(=O)(=O)c1nc(cs1)-c1cnc2ccc(Cl)cn12)[N+]([O-])=O
Show InChI InChI=1S/C17H11ClN4O4S2/c1-10-2-4-12(22(23)24)6-15(10)28(25,26)17-20-13(9-27-17)14-7-19-16-5-3-11(18)8-21(14)16/h2-9H,1H3
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n/an/a 100n/an/an/an/a7.422



Astellas Pharma Inc.



Assay Description
The test compounds and enzyme were mixed in buffer, and the substrate and [gamma-33P] ATP/ATP were added to the mixture to initiate the reaction. Aft...


Bioorg Med Chem 15: 403-12 (2007)


Article DOI: 10.1016/j.bmc.2006.09.047
BindingDB Entry DOI: 10.7270/Q2SJ1HXZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta


(Homo sapiens (Human))
BDBM348280
PNG
(US9790228, Compound 199)
Show SMILES CN1CCN(CC1)c1nc2ccccc2nc1Cn1nc(-c2ccc3nc(N)sc3c2)c2c(N)ncnc12
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Intellikine LLC

US Patent




US Patent US9790228 (2017)


BindingDB Entry DOI: 10.7270/Q26112FV
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta


(Homo sapiens (Human))
BDBM348211
PNG
(US9790228, Compound 130)
Show SMILES CN(C)c1nc2ccccc2cc1Cn1nc(-c2ccc3nc(NC(C)=O)sc3c2)c2c(N)ncnc12
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Intellikine LLC

US Patent




US Patent US9790228 (2017)


BindingDB Entry DOI: 10.7270/Q26112FV
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta


(Homo sapiens (Human))
BDBM348154
PNG
(US9790228, Compound 73)
Show SMILES CC(c1cc2ccccc2nc1N1CCN(C)CC1)n1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc12
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Intellikine LLC

US Patent




US Patent US9790228 (2017)


BindingDB Entry DOI: 10.7270/Q26112FV
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta


(Homo sapiens (Human))
BDBM50323731
PNG
(CHEMBL1213117 | N-(6-(4-amino-1-((2-(4-methylpiper...)
Show SMILES CN1CCN(CC1)c1nc2ccccc2cc1Cn1nc(-c2ccc3nc(NC(C)=O)sc3c2)c2c(N)ncnc12
Show InChI InChI=1S/C29H28N10OS/c1-17(40)33-29-35-22-8-7-19(14-23(22)41-29)25-24-26(30)31-16-32-28(24)39(36-25)15-20-13-18-5-3-4-6-21(18)34-27(20)38-11-9-37(2)10-12-38/h3-8,13-14,16H,9-12,15H2,1-2H3,(H2,30,31,32)(H,33,35,40)
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Intellikine LLC

US Patent




US Patent US9790228 (2017)


BindingDB Entry DOI: 10.7270/Q26112FV
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta


(Homo sapiens (Human))
BDBM50323731
PNG
(CHEMBL1213117 | N-(6-(4-amino-1-((2-(4-methylpiper...)
Show SMILES CN1CCN(CC1)c1nc2ccccc2cc1Cn1nc(-c2ccc3nc(NC(C)=O)sc3c2)c2c(N)ncnc12
Show InChI InChI=1S/C29H28N10OS/c1-17(40)33-29-35-22-8-7-19(14-23(22)41-29)25-24-26(30)31-16-32-28(24)39(36-25)15-20-13-18-5-3-4-6-21(18)34-27(20)38-11-9-37(2)10-12-38/h3-8,13-14,16H,9-12,15H2,1-2H3,(H2,30,31,32)(H,33,35,40)
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Intellikine LLC

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US Patent US9790228 (2017)


BindingDB Entry DOI: 10.7270/Q26112FV
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta


(Homo sapiens (Human))
BDBM348255
PNG
(US9790228, Compound 174)
Show SMILES Nc1ncnc2n(Cc3cc4ccccc4nc3CN3CCCC3)nc(-c3cc(O)cc(F)c3)c12
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Intellikine LLC

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US Patent US9790228 (2017)


BindingDB Entry DOI: 10.7270/Q26112FV
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta


(Homo sapiens (Human))
BDBM25036
PNG
(CHEMBL393525 | N'-[(1E)-{6-bromoimidazo[1,2-a]pyri...)
Show SMILES CN(\N=C\c1cnc2ccc(Br)cn12)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
Show InChI InChI=1S/C16H14BrN5O4S/c1-11-3-5-13(22(23)24)7-15(11)27(25,26)20(2)19-9-14-8-18-16-6-4-12(17)10-21(14)16/h3-10H,1-2H3/b19-9+
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n/an/a 100n/an/an/an/a7.422



Astellas Pharma Inc.



Assay Description
The test compounds and enzyme were mixed in buffer, and the substrate and [gamma-33P] ATP/ATP were added to the mixture to initiate the reaction. Aft...


Bioorg Med Chem 15: 5837-44 (2007)


Article DOI: 10.1016/j.bmc.2007.05.070
BindingDB Entry DOI: 10.7270/Q2X928M7
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta


(Homo sapiens (Human))
BDBM348119
PNG
(US9790228, Compound 38)
Show SMILES CCN1CCN(CC1)c1nc2ccccc2cc1Cn1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc12
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Intellikine LLC

US Patent




US Patent US9790228 (2017)


BindingDB Entry DOI: 10.7270/Q26112FV
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta


(Homo sapiens (Human))
BDBM348245
PNG
(US9790228, Compound 164)
Show SMILES CC(C)N1CCN(CC1)c1nc2ccccc2cc1Cn1nc(-c2ccc3nc(N)sc3c2)c2c(N)ncnc12
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Intellikine LLC

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US Patent US9790228 (2017)


BindingDB Entry DOI: 10.7270/Q26112FV
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta


(Homo sapiens (Human))
BDBM348244
PNG
(US9790228, Compound 163)
Show SMILES CC(C)N1CCN(CC1)c1nc2ccccc2cc1Cn1nc(-c2ccc3nc(NC(C)=O)sc3c2)c2c(N)ncnc12
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Intellikine LLC

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US Patent US9790228 (2017)


BindingDB Entry DOI: 10.7270/Q26112FV
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta


(Homo sapiens (Human))
BDBM348131
PNG
(US9790228, Compound 197 | US9790228, Compound 50)
Show SMILES CN1CCN(CC1)c1nc2ccccc2cc1Cn1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc12
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Intellikine LLC

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US Patent US9790228 (2017)


BindingDB Entry DOI: 10.7270/Q26112FV
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta


(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 140n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of human PI3KC2beta by non-radiometric ADP-Glo assay


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


Article DOI: 10.1021/ml500354e
BindingDB Entry DOI: 10.7270/Q2M61MWR
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta


(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 180n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of human PI3KC2beta by non-radiometric ADP-Glo assay


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


Article DOI: 10.1021/ml500354e
BindingDB Entry DOI: 10.7270/Q2M61MWR
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta


(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 180n/an/an/an/an/an/a



Curtin University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3KC2beta using substrate PI incubated for 1 hr by Adapta kinase assay


J Med Chem 60: 47-65 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00963
BindingDB Entry DOI: 10.7270/Q2PG1TPX
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta


(Homo sapiens (Human))
BDBM25018
PNG
(3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phe...)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2sccc2n1
Show InChI InChI=1S/C16H15N3O2S/c20-12-3-1-2-11(10-12)15-17-13-4-9-22-14(13)16(18-15)19-5-7-21-8-6-19/h1-4,9-10,20H,5-8H2
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n/an/a 220n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of PIK3C2B kinase


Proc Natl Acad Sci USA 104: 20523-8 (2007)

Checked by Author
Article DOI: 10.1073/pnas.0708800104
BindingDB Entry DOI: 10.7270/Q2DB82RH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta


(Homo sapiens (Human))
BDBM25018
PNG
(3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phe...)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2sccc2n1
Show InChI InChI=1S/C16H15N3O2S/c20-12-3-1-2-11(10-12)15-17-13-4-9-22-14(13)16(18-15)19-5-7-21-8-6-19/h1-4,9-10,20H,5-8H2
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n/an/a 220n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kc2beta


Bioorg Med Chem Lett 17: 2438-42 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.032
BindingDB Entry DOI: 10.7270/Q28053F2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta


(Homo sapiens (Human))
BDBM25018
PNG
(3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phe...)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2sccc2n1
Show InChI InChI=1S/C16H15N3O2S/c20-12-3-1-2-11(10-12)15-17-13-4-9-22-14(13)16(18-15)19-5-7-21-8-6-19/h1-4,9-10,20H,5-8H2
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n/an/a 220n/an/an/an/a7.422



Astellas Pharma Inc.



Assay Description
The test compounds and enzyme were mixed in buffer, and the substrate and [gamma-33P] ATP/ATP were added to the mixture to initiate the reaction. Aft...


Bioorg Med Chem 15: 5837-44 (2007)


Article DOI: 10.1016/j.bmc.2007.05.070
BindingDB Entry DOI: 10.7270/Q2X928M7
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta


(Homo sapiens (Human))
BDBM50434806
PNG
(2-(4-(2-(1-isopropyl-3-methyl-1H-1,2,4-triazol-5-y...)
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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Genentech

Curated by ChEMBL


Assay Description
Inhibition of PI3KC2beta (unknown origin)


J Med Chem 56: 4597-610 (2013)


Article DOI: 10.1021/jm4003632
BindingDB Entry DOI: 10.7270/Q24F1S5G
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta


(Homo sapiens (Human))
BDBM50197064
PNG
(CHEMBL3922359)
Show SMILES Fc1ccc(CN2C(=O)COc3ccc(\C=C4/SC(=S)NC4=O)cc23)cc1Cl
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n/an/a 370n/an/an/an/an/an/a



Curtin University

Curated by ChEMBL


Assay Description
Inhibition of PI3KC2beta (unknown origin) expressed in HEK293 cells using phosphatidylinositol and gamma-32P-ATP incubated for 20 mins by TLC assay o...


J Med Chem 60: 47-65 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00963
BindingDB Entry DOI: 10.7270/Q2PG1TPX
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta


(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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Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of human PI3KC2beta by non-radiometric ADP-Glo assay


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


Article DOI: 10.1021/ml500354e
BindingDB Entry DOI: 10.7270/Q2M61MWR
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta


(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 437n/an/an/an/an/an/a



Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of PI3K C2beta


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


Article DOI: 10.1016/j.bmcl.2011.04.129
BindingDB Entry DOI: 10.7270/Q2Z60PD1
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta


(Homo sapiens (Human))
BDBM50042922
PNG
(CHEMBL3218581)
Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1csc(n1)C(C)(C)C |r|
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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Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of human PI3KC2beta by non-radiometric ADP-Glo assay


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


Article DOI: 10.1021/ml500354e
BindingDB Entry DOI: 10.7270/Q2M61MWR
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta


(Homo sapiens (Human))
BDBM315546
PNG
(US10172858, Table 2.41 | US9828378, # 41)
Show SMILES Nc1ncnc2n(nc(-c3cc4cccc(O)c4[nH]3)c12)C1CCN(CC1)C(=O)C1CC1
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Intellikine LLC

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US Patent US9828378 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta


(Homo sapiens (Human))
BDBM315547
PNG
(US10172858, Table 2.42 | US9828378, # 42)
Show SMILES Nc1ncnc2n(nc(-c3cc4cc(O)ccc4[nH]3)c12)C1CCOCC1
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Intellikine LLC

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US Patent US9828378 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta


(Homo sapiens (Human))
BDBM315549
PNG
(US10172858, Table 2.44 | US9828378, # 44)
Show SMILES Cc1nccn1CCn1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
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Intellikine LLC

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US Patent US9828378 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta


(Homo sapiens (Human))
BDBM315552
PNG
(US10172858, Table 2.49 | US9828378, # 49)
Show SMILES Nc1ncnc2n(nc(-c3cc4cc(O)ccc4[nH]3)c12)C1CC(C1)N1CCOCC1 |(-2.36,3.11,;-2.36,1.57,;-3.69,.8,;-3.69,-.74,;-2.36,-1.51,;-1.02,-.74,;.44,-1.22,;1.35,.03,;.44,1.27,;.84,2.76,;-.06,4,;.84,5.25,;.52,6.76,;1.67,7.79,;1.27,9.27,;3.13,7.31,;3.45,5.8,;2.31,4.77,;2.31,3.23,;-1.02,.8,;.84,-2.71,;.07,-4.04,;1.4,-4.81,;2.17,-3.48,;1.8,-6.3,;.71,-7.39,;1.11,-8.88,;2.6,-9.27,;3.69,-8.19,;3.29,-6.7,)|
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US Patent US9828378 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta


(Homo sapiens (Human))
BDBM315554
PNG
(US10172858, Table 2.51 | US9828378, # 51)
Show SMILES Nc1ncnc2n(nc(-c3cc4cccc(Cl)c4[nH]3)c12)C1CCOCC1
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US Patent US9828378 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta


(Homo sapiens (Human))
BDBM315555
PNG
(US10172858, Table 2.52 | US9828378, # 52)
Show SMILES CN1CCN(CC1)C1CC(C1)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12 |(3.02,-10.82,;2.62,-9.33,;1.06,-8.91,;.71,-7.39,;1.8,-6.3,;3.29,-6.7,;3.76,-8.19,;1.4,-4.81,;.07,-4.04,;.84,-2.71,;2.17,-3.48,;.44,-1.22,;1.35,.03,;.44,1.27,;.84,2.76,;-.06,4,;.84,5.25,;.52,6.76,;1.67,7.79,;1.27,9.27,;3.13,7.31,;3.45,5.8,;2.31,4.77,;2.31,3.23,;-1.02,.8,;-2.36,1.57,;-2.36,3.11,;-3.69,.8,;-3.69,-.74,;-2.36,-1.51,;-1.02,-.74,)|
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Intellikine LLC

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US Patent US9828378 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta


(Homo sapiens (Human))
BDBM315557
PNG
(US10172858, Table 2.54 | US9828378, # 54)
Show SMILES Nc1ncnc2n(nc(-c3cc4cc(O)ccc4[nH]3)c12)C1CC(O)C1 |(-2.24,1.62,;-2.24,.08,;-3.57,-.69,;-3.57,-2.23,;-2.24,-3,;-.9,-2.23,;.56,-2.71,;1.47,-1.46,;.56,-.22,;.96,1.27,;.06,2.52,;.96,3.76,;.64,5.27,;1.79,6.3,;1.39,7.79,;3.25,5.82,;3.57,4.32,;2.43,3.29,;2.43,1.75,;-.9,-.69,;.96,-4.2,;.19,-5.53,;1.52,-6.3,;1.92,-7.79,;2.29,-4.97,)|
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US Patent US9828378 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta


(Homo sapiens (Human))
BDBM315559
PNG
(US10172858, Table 2.56 | US9828378, # 56)
Show SMILES CC(C)N1CCC(CC1)n1nc(-c2cc3cc(O)cc(Cl)c3[nH]2)c2c(N)ncnc12
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US Patent US9828378 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta


(Homo sapiens (Human))
BDBM315561
PNG
(US10172858, Table 2.58 | US9828378, # 58)
Show SMILES CN1CCN(CC1)C1CCC(CC1)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12 |w:7.7,(.56,-10.64,;.56,-9.1,;-.77,-8.33,;-.77,-6.79,;.56,-6.02,;1.9,-6.79,;1.9,-8.33,;.56,-4.48,;-.77,-3.71,;-.77,-2.17,;.56,-1.4,;1.9,-2.17,;1.9,-3.71,;.56,.14,;1.47,1.39,;.56,2.63,;.96,4.12,;.06,5.37,;.96,6.61,;.64,8.12,;1.79,9.15,;1.39,10.64,;3.25,8.67,;3.57,7.17,;2.43,6.14,;2.43,4.6,;-.9,2.16,;-2.24,2.93,;-2.24,4.47,;-3.57,2.16,;-3.57,.62,;-2.24,-.15,;-.9,.62,)|
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Intellikine LLC

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US Patent US9828378 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta


(Homo sapiens (Human))
BDBM315562
PNG
(US10172858, Table 2.59 | US9828378, # 59)
Show SMILES COc1ccc2cc([nH]c2c1)-c1nn(C2CCOCC2)c2ncnc(N)c12
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Intellikine LLC

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US Patent US9828378 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta


(Homo sapiens (Human))
BDBM315564
PNG
(US10172858, Table 2.61 | US9828378, # 61)
Show SMILES COc1ccc(Cl)c2cc([nH]c12)-c1nn(C2CCOCC2)c2ncnc(N)c12
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Intellikine LLC

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US Patent US9828378 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta


(Homo sapiens (Human))
BDBM315566
PNG
(US10172858, Table 2.63 | US9828378, # 63)
Show SMILES COc1cccc2cc([nH]c12)-c1nn(C2CCOCC2)c2ncnc(N)c12
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Intellikine LLC

US Patent




US Patent US9828378 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta


(Homo sapiens (Human))
BDBM315567
PNG
(US10172858, Table 2.64 | US9828378, # 64)
Show SMILES CC(C)N1CCC(CC1)n1nc(-c2cc3cccc(O)c3[nH]2)c2c(N)ncnc12
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Intellikine LLC

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US Patent US9828378 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta


(Homo sapiens (Human))
BDBM315569
PNG
(US10172858, Table 2.66 | US9828378, # 66)
Show SMILES COc1cccc2cc([nH]c12)-c1nn(C2CCN(CC2)C(=O)C2CC2)c2ncnc(N)c12
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Intellikine LLC

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US Patent US9828378 (2017)

More data for this
Ligand-Target Pair
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