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Compile Data Set for Download or QSAR

Found 108 hits Enz. Inhib. hit(s) with Target = 'Phosphatidylinositol 3-kinase catalytic subunit type 3'   
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 3-kinase catalytic subunit type 3


(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+4n/an/an/an/a7.522



Piramed Pharma



Assay Description
Test compounds were added to reaction buffer containing yttrium silicate (Ysi) polylysine SPA beads (Amersham), and the enzyme was added to the assay...


J Med Chem 51: 5522-32 (2008)


Article DOI: 10.1021/jm800295d
BindingDB Entry DOI: 10.7270/Q2222S23
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (human))
BDBM50343200
PNG
(CHEMBL1615189 | N-(6-(6-Chloro-5-(4-fluorophenylsu...)
Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1
Show InChI InChI=1S/C20H14ClFN4O3S2/c1-11(27)24-20-25-16-7-2-12(9-18(16)30-20)13-8-17(19(21)23-10-13)26-31(28,29)15-5-3-14(22)4-6-15/h2-10,26H,1H3,(H,24,25,27)
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31n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human VPS34 after 30 mins by fluorescence-based immunoassay


J Med Chem 54: 1789-811 (2011)


Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(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 7.94E+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)


Article DOI: 10.1021/acschembio.6b00250
BindingDB Entry DOI: 10.7270/Q29K491Z
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (human))
BDBM50112827
PNG
(CHEMBL3609514)
Show SMILES CC(C)(C)c1nc-2c(CCc3nc(NC(=O)N4CCC[C@H]4C(N)=O)sc-23)s1
Show InChI InChI=1S/C18H23N5O2S2/c1-18(2,3)15-21-12-11(26-15)7-6-9-13(12)27-16(20-9)22-17(25)23-8-4-5-10(23)14(19)24/h10H,4-8H2,1-3H3,(H2,19,24)(H,20,22,25)/t10-/m0/s1
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n/an/a>9.10E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of Vps34 (unknown origin)


Bioorg Med Chem Lett 25: 3575-81 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.067
BindingDB Entry DOI: 10.7270/Q2DF6SZ5
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (human))
BDBM50112816
PNG
(CHEMBL3609519)
Show SMILES C[C@@H]1CCN([C@@H]1C(N)=O)C(=O)Nc1nc2CCc3sc(nc3-c2s1)C(C)(C)C
Show InChI InChI=1S/C19H25N5O2S2/c1-9-7-8-24(13(9)15(20)25)18(26)23-17-21-10-5-6-11-12(14(10)28-17)22-16(27-11)19(2,3)4/h9,13H,5-8H2,1-4H3,(H2,20,25)(H,21,23,26)/t9-,13+/m1/s1
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n/an/a 9.60E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of Vps34 (unknown origin)


Bioorg Med Chem Lett 25: 3575-81 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.067
BindingDB Entry DOI: 10.7270/Q2DF6SZ5
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (human))
BDBM50112818
PNG
(CHEMBL3609521)
Show SMILES CN(C)C[C@@H]1CCN([C@@H]1C(N)=O)C(=O)Nc1nc2CCc3sc(nc3-c2s1)C(C)(C)C
Show InChI InChI=1S/C21H30N6O2S2/c1-21(2,3)18-24-14-13(30-18)7-6-12-16(14)31-19(23-12)25-20(29)27-9-8-11(10-26(4)5)15(27)17(22)28/h11,15H,6-10H2,1-5H3,(H2,22,28)(H,23,25,29)/t11-,15-/m0/s1
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n/an/a>9.10E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of Vps34 (unknown origin)


Bioorg Med Chem Lett 25: 3575-81 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.067
BindingDB Entry DOI: 10.7270/Q2DF6SZ5
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (human))
BDBM50112820
PNG
(CHEMBL3609523)
Show SMILES CC(C)(C)c1ncc2CCc3nc(NC(=O)N4CCC[C@@]4(C)C(N)=O)sc3-c2n1
Show InChI InChI=1S/C20H26N6O2S/c1-19(2,3)16-22-10-11-6-7-12-14(13(11)24-16)29-17(23-12)25-18(28)26-9-5-8-20(26,4)15(21)27/h10H,5-9H2,1-4H3,(H2,21,27)(H,23,25,28)/t20-/m0/s1
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n/an/a 7.00E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of Vps34 (unknown origin)


Bioorg Med Chem Lett 25: 3575-81 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.067
BindingDB Entry DOI: 10.7270/Q2DF6SZ5
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (human))
BDBM50112822
PNG
(CHEMBL3609525)
Show SMILES C[C@@H]1CCN([C@@H]1C(N)=O)C(=O)Nc1nc2CCc3cnc(nc3-c2s1)C(C)(C)C
Show InChI InChI=1S/C20H26N6O2S/c1-10-7-8-26(14(10)16(21)27)19(28)25-18-23-12-6-5-11-9-22-17(20(2,3)4)24-13(11)15(12)29-18/h9-10,14H,5-8H2,1-4H3,(H2,21,27)(H,23,25,28)/t10-,14+/m1/s1
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n/an/a>9.10E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of Vps34 (unknown origin)


Bioorg Med Chem Lett 25: 3575-81 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.067
BindingDB Entry DOI: 10.7270/Q2DF6SZ5
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (human))
BDBM50112825
PNG
(CHEMBL3609528)
Show SMILES CN(C)C[C@]1(CCCN1C(=O)Nc1nc2CCc3cnc(nc3-c2s1)C(C)(C)C)C(N)=O
Show InChI InChI=1S/C22H31N7O2S/c1-21(2,3)18-24-11-13-7-8-14-16(15(13)26-18)32-19(25-14)27-20(31)29-10-6-9-22(29,17(23)30)12-28(4)5/h11H,6-10,12H2,1-5H3,(H2,23,30)(H,25,27,31)/t22-/m1/s1
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n/an/a>9.10E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of Vps34 (unknown origin)


Bioorg Med Chem Lett 25: 3575-81 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.067
BindingDB Entry DOI: 10.7270/Q2DF6SZ5
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (human))
BDBM50121212
PNG
(CHEMBL3622372)
Show SMILES C[C@@H]1COCCN1c1cc(=O)n2CC[C@H](N(Cc3cncc(Cl)c3)c2n1)C(F)(F)F
Show InChI InChI=1S/C19H21ClF3N5O2/c1-12-11-30-5-4-26(12)16-7-17(29)27-3-2-15(19(21,22)23)28(18(27)25-16)10-13-6-14(20)9-24-8-13/h6-9,12,15H,2-5,10-11H2,1H3/t12-,15+/m1/s1
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n/an/a 1.20n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Vps34 by TR-FRET analysis


J Med Chem 58: 7611-33 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00229
BindingDB Entry DOI: 10.7270/Q2QZ2CSD
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (human))
BDBM50156332
PNG
(CHEMBL3780864)
Show SMILES CNc1ncc(c(CC2CC2)n1)-c1ccnc(N[C@H]2CC[C@H](N)CC2)n1
Show InChI InChI=1S/C19H27N7/c1-21-18-23-11-15(17(26-18)10-12-2-3-12)16-8-9-22-19(25-16)24-14-6-4-13(20)5-7-14/h8-9,11-14H,2-7,10,20H2,1H3,(H,21,23,26)(H,22,24,25)/t13-,14-
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n/an/a 410n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human VPS34 using L-alpha-phosphatidylinositol as substrate incubated for 10 mins by luminescence based ATP detection assay


ACS Med Chem Lett 7: 72-6 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00335
BindingDB Entry DOI: 10.7270/Q2K35WK6
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (human))
BDBM50156333
PNG
(CHEMBL3781964)
Show SMILES CNc1ncc(c(CC2CC2)n1)-c1ccnc(NC2CCOCC2)n1
Show InChI InChI=1S/C18H24N6O/c1-19-17-21-11-14(16(24-17)10-12-2-3-12)15-4-7-20-18(23-15)22-13-5-8-25-9-6-13/h4,7,11-13H,2-3,5-6,8-10H2,1H3,(H,19,21,24)(H,20,22,23)
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n/an/a 400n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human VPS34 using L-alpha-phosphatidylinositol as substrate incubated for 10 mins by luminescence based ATP detection assay


ACS Med Chem Lett 7: 72-6 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00335
BindingDB Entry DOI: 10.7270/Q2K35WK6
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (human))
BDBM50156334
PNG
(CHEMBL3780077)
Show SMILES CNc1ncc(c(CC2CC2)n1)-c1ccnc(NC2CCCCC2)n1
Show InChI InChI=1S/C19H26N6/c1-20-18-22-12-15(17(25-18)11-13-7-8-13)16-9-10-21-19(24-16)23-14-5-3-2-4-6-14/h9-10,12-14H,2-8,11H2,1H3,(H,20,22,25)(H,21,23,24)
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n/an/a 3.40E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human VPS34 using L-alpha-phosphatidylinositol as substrate incubated for 10 mins by luminescence based ATP detection assay


ACS Med Chem Lett 7: 72-6 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00335
BindingDB Entry DOI: 10.7270/Q2K35WK6
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (human))
BDBM50156335
PNG
(CHEMBL3781076)
Show SMILES CNc1ncc(c(CC2CC2)n1)-c1ccnc(NCCCO)n1
Show InChI InChI=1S/C16H22N6O/c1-17-15-20-10-12(14(22-15)9-11-3-4-11)13-5-7-19-16(21-13)18-6-2-8-23/h5,7,10-11,23H,2-4,6,8-9H2,1H3,(H,17,20,22)(H,18,19,21)
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n/an/a 6.30E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human VPS34 using L-alpha-phosphatidylinositol as substrate incubated for 10 mins by luminescence based ATP detection assay


ACS Med Chem Lett 7: 72-6 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00335
BindingDB Entry DOI: 10.7270/Q2K35WK6
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (human))
BDBM50156336
PNG
(CHEMBL3780896)
Show SMILES CNc1ncc(c(CC2CC2)n1)-c1ccnc(Nc2ccccc2)n1
Show InChI InChI=1S/C19H20N6/c1-20-18-22-12-15(17(25-18)11-13-7-8-13)16-9-10-21-19(24-16)23-14-5-3-2-4-6-14/h2-6,9-10,12-13H,7-8,11H2,1H3,(H,20,22,25)(H,21,23,24)
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n/an/a 290n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human VPS34 using L-alpha-phosphatidylinositol as substrate incubated for 10 mins by luminescence based ATP detection assay


ACS Med Chem Lett 7: 72-6 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00335
BindingDB Entry DOI: 10.7270/Q2K35WK6
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (human))
BDBM50156337
PNG
(CHEMBL3781236)
Show SMILES CNc1ncc(c(CC2CC2)n1)-c1ccnc(Nc2ccc(OC)cc2)n1
Show InChI InChI=1S/C20H22N6O/c1-21-19-23-12-16(18(26-19)11-13-3-4-13)17-9-10-22-20(25-17)24-14-5-7-15(27-2)8-6-14/h5-10,12-13H,3-4,11H2,1-2H3,(H,21,23,26)(H,22,24,25)
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n/an/a 120n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human VPS34 using L-alpha-phosphatidylinositol as substrate incubated for 10 mins by luminescence based ATP detection assay


ACS Med Chem Lett 7: 72-6 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00335
BindingDB Entry DOI: 10.7270/Q2K35WK6
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (human))
BDBM50156338
PNG
(CHEMBL3782016)
Show SMILES CNc1ncc(c(CC2CC2)n1)-c1ccnc(Nc2cnc3ccccc3c2)n1
Show InChI InChI=1S/C22H21N7/c1-23-21-26-13-17(20(29-21)10-14-6-7-14)19-8-9-24-22(28-19)27-16-11-15-4-2-3-5-18(15)25-12-16/h2-5,8-9,11-14H,6-7,10H2,1H3,(H,23,26,29)(H,24,27,28)
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n/an/a 130n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human VPS34 using L-alpha-phosphatidylinositol as substrate incubated for 10 mins by luminescence based ATP detection assay


ACS Med Chem Lett 7: 72-6 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00335
BindingDB Entry DOI: 10.7270/Q2K35WK6
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (human))
BDBM50156302
PNG
(CHEMBL3780029)
Show SMILES CNc1ncc(c(CC2CC2)n1)-c1ccnc(Nc2ccncc2)n1
Show InChI InChI=1S/C18H19N7/c1-19-17-22-11-14(16(25-17)10-12-2-3-12)15-6-9-21-18(24-15)23-13-4-7-20-8-5-13/h4-9,11-12H,2-3,10H2,1H3,(H,19,22,25)(H,20,21,23,24)
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n/an/a 37n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human VPS34 using L-alpha-phosphatidylinositol as substrate incubated for 10 mins by luminescence based ATP detection assay


ACS Med Chem Lett 7: 72-6 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00335
BindingDB Entry DOI: 10.7270/Q2K35WK6
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (human))
BDBM50156301
PNG
(CHEMBL3781020)
Show SMILES C(C1CC1)c1ncncc1-c1ccnc(Nc2ccncc2)n1
Show InChI InChI=1S/C17H16N6/c1-2-12(1)9-16-14(10-19-11-21-16)15-5-8-20-17(23-15)22-13-3-6-18-7-4-13/h3-8,10-12H,1-2,9H2,(H,18,20,22,23)
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n/an/a 210n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human VPS34 using L-alpha-phosphatidylinositol as substrate incubated for 10 mins by luminescence based ATP detection assay


ACS Med Chem Lett 7: 72-6 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00335
BindingDB Entry DOI: 10.7270/Q2K35WK6
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (human))
BDBM50156300
PNG
(CHEMBL3781634)
Show SMILES COc1ncc(c(CC2CC2)n1)-c1ccnc(Nc2ccncc2)n1
Show InChI InChI=1S/C18H18N6O/c1-25-18-21-11-14(16(24-18)10-12-2-3-12)15-6-9-20-17(23-15)22-13-4-7-19-8-5-13/h4-9,11-12H,2-3,10H2,1H3,(H,19,20,22,23)
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n/an/a 91n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human VPS34 using L-alpha-phosphatidylinositol as substrate incubated for 10 mins by luminescence based ATP detection assay


ACS Med Chem Lett 7: 72-6 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00335
BindingDB Entry DOI: 10.7270/Q2K35WK6
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (human))
BDBM50156299
PNG
(CHEMBL3780762)
Show SMILES C(C1CC1)c1nc(NC2CCOCC2)ncc1-c1ccnc(Nc2ccncc2)n1
Show InChI InChI=1S/C22H25N7O/c1-2-15(1)13-20-18(14-25-22(29-20)27-17-6-11-30-12-7-17)19-5-10-24-21(28-19)26-16-3-8-23-9-4-16/h3-5,8-10,14-15,17H,1-2,6-7,11-13H2,(H,25,27,29)(H,23,24,26,28)
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n/an/a 240n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human VPS34 using L-alpha-phosphatidylinositol as substrate incubated for 10 mins by luminescence based ATP detection assay


ACS Med Chem Lett 7: 72-6 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00335
BindingDB Entry DOI: 10.7270/Q2K35WK6
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (human))
BDBM50156298
PNG
(CHEMBL3781926)
Show SMILES CC(C)(C)Nc1ncc(c(CC2CC2)n1)-c1ccnc(Nc2ccncc2)n1
Show InChI InChI=1S/C21H25N7/c1-21(2,3)28-20-24-13-16(18(27-20)12-14-4-5-14)17-8-11-23-19(26-17)25-15-6-9-22-10-7-15/h6-11,13-14H,4-5,12H2,1-3H3,(H,24,27,28)(H,22,23,25,26)
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n/an/a 35n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human VPS34 using L-alpha-phosphatidylinositol as substrate incubated for 10 mins by luminescence based ATP detection assay


ACS Med Chem Lett 7: 72-6 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00335
BindingDB Entry DOI: 10.7270/Q2K35WK6
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (human))
BDBM50156297
PNG
(CHEMBL3780339)
Show SMILES CC(C)(C)CNc1ncc(c(CC2CC2)n1)-c1ccnc(Nc2ccncc2)n1
Show InChI InChI=1S/C22H27N7/c1-22(2,3)14-26-20-25-13-17(19(29-20)12-15-4-5-15)18-8-11-24-21(28-18)27-16-6-9-23-10-7-16/h6-11,13,15H,4-5,12,14H2,1-3H3,(H,25,26,29)(H,23,24,27,28)
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n/an/a 85n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human VPS34 using L-alpha-phosphatidylinositol as substrate incubated for 10 mins by luminescence based ATP detection assay


ACS Med Chem Lett 7: 72-6 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00335
BindingDB Entry DOI: 10.7270/Q2K35WK6
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (human))
BDBM50156296
PNG
(CHEMBL3781466)
Show SMILES CC(C)(O)CNc1ncc(c(CC2CC2)n1)-c1ccnc(Nc2ccncc2)n1
Show InChI InChI=1S/C21H25N7O/c1-21(2,29)13-25-19-24-12-16(18(28-19)11-14-3-4-14)17-7-10-23-20(27-17)26-15-5-8-22-9-6-15/h5-10,12,14,29H,3-4,11,13H2,1-2H3,(H,24,25,28)(H,22,23,26,27)
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n/an/a 15n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human VPS34 using L-alpha-phosphatidylinositol as substrate incubated for 10 mins by luminescence based ATP detection assay


ACS Med Chem Lett 7: 72-6 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00335
BindingDB Entry DOI: 10.7270/Q2K35WK6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (human))
BDBM50156295
PNG
(CHEMBL3781615)
Show SMILES C(Nc1ncc(c(CC2CC2)n1)-c1ccnc(Nc2ccncc2)n1)c1ccccc1
Show InChI InChI=1S/C24H23N7/c1-2-4-18(5-3-1)15-27-23-28-16-20(22(31-23)14-17-6-7-17)21-10-13-26-24(30-21)29-19-8-11-25-12-9-19/h1-5,8-13,16-17H,6-7,14-15H2,(H,27,28,31)(H,25,26,29,30)
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n/an/a 76n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human VPS34 using L-alpha-phosphatidylinositol as substrate incubated for 10 mins by luminescence based ATP detection assay


ACS Med Chem Lett 7: 72-6 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00335
BindingDB Entry DOI: 10.7270/Q2K35WK6
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (human))
BDBM50156294
PNG
(CHEMBL3781415)
Show SMILES Nc1ncc(c(CC2CC2)n1)-c1ccnc(Nc2ccncc2)n1
Show InChI InChI=1S/C17H17N7/c18-16-21-10-13(15(23-16)9-11-1-2-11)14-5-8-20-17(24-14)22-12-3-6-19-7-4-12/h3-8,10-11H,1-2,9H2,(H2,18,21,23)(H,19,20,22,24)
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n/an/a 18n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human VPS34 using L-alpha-phosphatidylinositol as substrate incubated for 10 mins by luminescence based ATP detection assay


ACS Med Chem Lett 7: 72-6 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00335
BindingDB Entry DOI: 10.7270/Q2K35WK6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (human))
BDBM50156302
PNG
(CHEMBL3780029)
Show SMILES CNc1ncc(c(CC2CC2)n1)-c1ccnc(Nc2ccncc2)n1
Show InChI InChI=1S/C18H19N7/c1-19-17-22-11-14(16(25-17)10-12-2-3-12)15-6-9-21-18(24-15)23-13-4-7-20-8-5-13/h4-9,11-12H,2-3,10H2,1H3,(H,19,22,25)(H,20,21,23,24)
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n/an/a 14n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of VPS34 in human U2OS cells incubated for 2 hrs by GFP-FYVE reporter gene assay


ACS Med Chem Lett 7: 72-6 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00335
BindingDB Entry DOI: 10.7270/Q2K35WK6
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (human))
BDBM50156301
PNG
(CHEMBL3781020)
Show SMILES C(C1CC1)c1ncncc1-c1ccnc(Nc2ccncc2)n1
Show InChI InChI=1S/C17H16N6/c1-2-12(1)9-16-14(10-19-11-21-16)15-5-8-20-17(23-15)22-13-3-6-18-7-4-13/h3-8,10-12H,1-2,9H2,(H,18,20,22,23)
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n/an/a 330n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of VPS34 in human U2OS cells incubated for 2 hrs by GFP-FYVE reporter gene assay


ACS Med Chem Lett 7: 72-6 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00335
BindingDB Entry DOI: 10.7270/Q2K35WK6
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (human))
BDBM50156299
PNG
(CHEMBL3780762)
Show SMILES C(C1CC1)c1nc(NC2CCOCC2)ncc1-c1ccnc(Nc2ccncc2)n1
Show InChI InChI=1S/C22H25N7O/c1-2-15(1)13-20-18(14-25-22(29-20)27-17-6-11-30-12-7-17)19-5-10-24-21(28-19)26-16-3-8-23-9-4-16/h3-5,8-10,14-15,17H,1-2,6-7,11-13H2,(H,25,27,29)(H,23,24,26,28)
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n/an/a 270n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of VPS34 in human U2OS cells incubated for 2 hrs by GFP-FYVE reporter gene assay


ACS Med Chem Lett 7: 72-6 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00335
BindingDB Entry DOI: 10.7270/Q2K35WK6
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (human))
BDBM50156296
PNG
(CHEMBL3781466)
Show SMILES CC(C)(O)CNc1ncc(c(CC2CC2)n1)-c1ccnc(Nc2ccncc2)n1
Show InChI InChI=1S/C21H25N7O/c1-21(2,29)13-25-19-24-12-16(18(28-19)11-14-3-4-14)17-7-10-23-20(27-17)26-15-5-8-22-9-6-15/h5-10,12,14,29H,3-4,11,13H2,1-2H3,(H,24,25,28)(H,22,23,26,27)
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n/an/a 25n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of VPS34 in human U2OS cells incubated for 2 hrs by GFP-FYVE reporter gene assay


ACS Med Chem Lett 7: 72-6 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00335
BindingDB Entry DOI: 10.7270/Q2K35WK6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (human))
BDBM50156294
PNG
(CHEMBL3781415)
Show SMILES Nc1ncc(c(CC2CC2)n1)-c1ccnc(Nc2ccncc2)n1
Show InChI InChI=1S/C17H17N7/c18-16-21-10-13(15(23-16)9-11-1-2-11)14-5-8-20-17(24-14)22-12-3-6-19-7-4-12/h3-8,10-11H,1-2,9H2,(H2,18,21,23)(H,19,20,22,24)
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n/an/a 12n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of VPS34 in human U2OS cells incubated for 2 hrs by GFP-FYVE reporter gene assay


ACS Med Chem Lett 7: 72-6 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00335
BindingDB Entry DOI: 10.7270/Q2K35WK6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (human))
BDBM50156293
PNG
(CHEMBL3781916)
Show SMILES CNc1ncc(c(CC2CC2)n1)-c1ccnc(N[C@H]2CC[C@H](O)CC2)n1
Show InChI InChI=1S/C19H26N6O/c1-20-18-22-11-15(17(25-18)10-12-2-3-12)16-8-9-21-19(24-16)23-13-4-6-14(26)7-5-13/h8-9,11-14,26H,2-7,10H2,1H3,(H,20,22,25)(H,21,23,24)/t13-,14-
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n/an/a 110n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human VPS34 using L-alpha-phosphatidylinositol as substrate incubated for 10 mins by luminescence based ATP detection assay


ACS Med Chem Lett 7: 72-6 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00335
BindingDB Entry DOI: 10.7270/Q2K35WK6
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(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 307n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human full length VPS34 expressed in baculovirus preincubated for 15 mins followed by addition of cold ATP/gamma...


J Med Chem 59: 1830-9 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01311
BindingDB Entry DOI: 10.7270/Q29888W5
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (human))
BDBM50160066
PNG
(CHEMBL3787634)
Show SMILES CC(=O)Nc1nc(C)c(s1)-c1ccc(Br)c(c1)S(=O)(=O)NCCO
Show InChI InChI=1S/C14H16BrN3O4S2/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 146n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human full length VPS34 expressed in baculovirus preincubated for 15 mins followed by addition of cold ATP/gamma...


J Med Chem 59: 1830-9 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01311
BindingDB Entry DOI: 10.7270/Q29888W5
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (human))
BDBM50160067
PNG
(CHEMBL3786633)
Show SMILES COc1ccc(cc1S(=O)(=O)NCCO)-c1sc(NC(C)=O)nc1C
Show InChI InChI=1S/C15H19N3O5S2/c1-9-14(24-15(17-9)18-10(2)20)11-4-5-12(23-3)13(8-11)25(21,22)16-6-7-19/h4-5,8,16,19H,6-7H2,1-3H3,(H,17,18,20)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human full length VPS34 expressed in baculovirus preincubated for 15 mins followed by addition of cold ATP/gamma...


J Med Chem 59: 1830-9 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01311
BindingDB Entry DOI: 10.7270/Q29888W5
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (human))
BDBM50160069
PNG
(CHEMBL3785630)
Show SMILES Cc1nc(NC(=O)C(C)(C)C)sc1-c1ccc(Cl)c(c1)S(=O)(=O)NCCO
Show InChI InChI=1S/C17H22ClN3O4S2/c1-10-14(26-16(20-10)21-15(23)17(2,3)4)11-5-6-12(18)13(9-11)27(24,25)19-7-8-22/h5-6,9,19,22H,7-8H2,1-4H3,(H,20,21,23)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human full length VPS34 expressed in baculovirus preincubated for 15 mins followed by addition of cold ATP/gamma...


J Med Chem 59: 1830-9 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01311
BindingDB Entry DOI: 10.7270/Q29888W5
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (human))
BDBM50160070
PNG
(CHEMBL3786159)
Show SMILES Cc1nc(NC(=O)C2CCCC2)sc1-c1ccc(Cl)c(c1)S(=O)(=O)NCCO
Show InChI InChI=1S/C18H22ClN3O4S2/c1-11-16(27-18(21-11)22-17(24)12-4-2-3-5-12)13-6-7-14(19)15(10-13)28(25,26)20-8-9-23/h6-7,10,12,20,23H,2-5,8-9H2,1H3,(H,21,22,24)
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University of California

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human full length VPS34 expressed in baculovirus preincubated for 15 mins followed by addition of cold ATP/gamma...


J Med Chem 59: 1830-9 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01311
BindingDB Entry DOI: 10.7270/Q29888W5
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (human))
BDBM50160071
PNG
(CHEMBL3787013)
Show SMILES CC(=O)Nc1nc(C)c(s1)-c1ccc(Cl)c(c1)S(=O)(=O)Nc1ccc(O)cc1
Show InChI InChI=1S/C18H16ClN3O4S2/c1-10-17(27-18(20-10)21-11(2)23)12-3-8-15(19)16(9-12)28(25,26)22-13-4-6-14(24)7-5-13/h3-9,22,24H,1-2H3,(H,20,21,23)
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n/an/a 32n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human full length VPS34 expressed in baculovirus preincubated for 15 mins followed by addition of cold ATP/gamma...


J Med Chem 59: 1830-9 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01311
BindingDB Entry DOI: 10.7270/Q29888W5
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (human))
BDBM50160072
PNG
(CHEMBL3787054)
Show SMILES CC(=O)Nc1nc(C)c(s1)-c1ccc(Cl)c(c1)S(=O)(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C18H15ClFN3O3S2/c1-10-17(27-18(21-10)22-11(2)24)12-3-8-15(19)16(9-12)28(25,26)23-14-6-4-13(20)5-7-14/h3-9,23H,1-2H3,(H,21,22,24)
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n/an/a 245n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human full length VPS34 expressed in baculovirus preincubated for 15 mins followed by addition of cold ATP/gamma...


J Med Chem 59: 1830-9 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01311
BindingDB Entry DOI: 10.7270/Q29888W5
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (human))
BDBM50160073
PNG
(CHEMBL3785694)
Show SMILES COc1ccc(cc1S(=O)(=O)NCCO)-c1sc(NC(=O)C(C)(C)C)nc1C
Show InChI InChI=1S/C18H25N3O5S2/c1-11-15(27-17(20-11)21-16(23)18(2,3)4)12-6-7-13(26-5)14(10-12)28(24,25)19-8-9-22/h6-7,10,19,22H,8-9H2,1-5H3,(H,20,21,23)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human full length VPS34 expressed in baculovirus preincubated for 15 mins followed by addition of cold ATP/gamma...


J Med Chem 59: 1830-9 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01311
BindingDB Entry DOI: 10.7270/Q29888W5
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (human))
BDBM50160074
PNG
(CHEMBL3785311)
Show SMILES COc1ccc(cc1S(=O)(=O)Nc1ccc(O)cc1)-c1sc(NC(=O)C2CCCC2)nc1C
Show InChI InChI=1S/C23H25N3O5S2/c1-14-21(32-23(24-14)25-22(28)15-5-3-4-6-15)16-7-12-19(31-2)20(13-16)33(29,30)26-17-8-10-18(27)11-9-17/h7-13,15,26-27H,3-6H2,1-2H3,(H,24,25,28)
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n/an/a>2.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human full length VPS34 expressed in baculovirus preincubated for 15 mins followed by addition of cold ATP/gamma...


J Med Chem 59: 1830-9 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01311
BindingDB Entry DOI: 10.7270/Q29888W5
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (human))
BDBM50160075
PNG
(CHEMBL3786230)
Show SMILES COc1ccc(cc1S(=O)(=O)Nc1ccc(O)cc1)-c1sc(NC(=O)C(C)(C)C)nc1C
Show InChI InChI=1S/C22H25N3O5S2/c1-13-19(31-21(23-13)24-20(27)22(2,3)4)14-6-11-17(30-5)18(12-14)32(28,29)25-15-7-9-16(26)10-8-15/h6-12,25-26H,1-5H3,(H,23,24,27)
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n/an/a>2.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human full length VPS34 expressed in baculovirus preincubated for 15 mins followed by addition of cold ATP/gamma...


J Med Chem 59: 1830-9 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01311
BindingDB Entry DOI: 10.7270/Q29888W5
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (human))
BDBM50156383
PNG
(CHEMBL3785951)
Show SMILES CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2cc(OC[C@@H]3CCCO3)ccc2F)c2c(N)ncnc12
Show InChI InChI=1S/C27H33FN6O3/c1-17(35)32-6-8-33(9-7-32)18-11-19(12-18)34-14-23(25-26(29)30-16-31-27(25)34)22-13-20(4-5-24(22)28)37-15-21-3-2-10-36-21/h4-5,13-14,16,18-19,21H,2-3,6-12,15H2,1H3,(H2,29,30,31)/t18-,19+,21-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of VPS34 (unknown origin) in presence of [gamma33P]ATP


Bioorg Med Chem Lett 26: 2057-64 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.075
BindingDB Entry DOI: 10.7270/Q29K4D4J
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (human))
BDBM50157880
PNG
(CHEMBL3787112)
Show SMILES Nc1ncnc2n(cc(-c3cccc(O)c3)c12)[C@@H]1C[C@H](CN2CCC2)C1
Show InChI InChI=1S/C20H23N5O/c21-19-18-17(14-3-1-4-16(26)9-14)11-25(20(18)23-12-22-19)15-7-13(8-15)10-24-5-2-6-24/h1,3-4,9,11-13,15,26H,2,5-8,10H2,(H2,21,22,23)/t13-,15+
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n/an/a>9.10E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of VPS34 (unknown origin) in presence of [gamma33P]ATP


Bioorg Med Chem Lett 26: 2057-64 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.075
BindingDB Entry DOI: 10.7270/Q29K4D4J
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (human))
BDBM50157881
PNG
(CHEMBL3787614)
Show SMILES Nc1ncnc2n(cc(-c3cccc(OC[C@@H]4CCCO4)c3)c12)[C@@H]1C[C@H](CN2CCC2)C1
Show InChI InChI=1S/C25H31N5O2/c26-24-23-22(18-4-1-5-20(12-18)32-15-21-6-2-9-31-21)14-30(25(23)28-16-27-24)19-10-17(11-19)13-29-7-3-8-29/h1,4-5,12,14,16-17,19,21H,2-3,6-11,13,15H2,(H2,26,27,28)/t17-,19+,21-/m0/s1
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n/an/a>9.10E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of VPS34 (unknown origin) in presence of [gamma33P]ATP


Bioorg Med Chem Lett 26: 2057-64 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.075
BindingDB Entry DOI: 10.7270/Q29K4D4J
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(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 533n/an/an/an/an/an/a



Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of human hVPS34


J Med Chem 53: 7146-55 (2010)


Article DOI: 10.1021/jm101144f
BindingDB Entry DOI: 10.7270/Q2M32W0R
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (human))
BDBM50336865
PNG
(CHEMBL1672328 | N6-(6-methoxypyridin-3-yl)-2-morph...)
Show SMILES COc1ccc(Nc2cc(nc(n2)N2CCOCC2)-c2cnc(N)nc2)cn1
Show InChI InChI=1S/C18H20N8O2/c1-27-16-3-2-13(11-20-16)23-15-8-14(12-9-21-17(19)22-10-12)24-18(25-15)26-4-6-28-7-5-26/h2-3,8-11H,4-7H2,1H3,(H2,19,21,22)(H,23,24,25)
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n/an/a>9.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of VPS34 after 15 mins


ACS Med Chem Lett 2: 34-38 (2011)


Article DOI: 10.1021/ml1001932
BindingDB Entry DOI: 10.7270/Q2B56K0R
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(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 Vps34


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


Article DOI: 10.1016/j.bmcl.2011.01.065
BindingDB Entry DOI: 10.7270/Q23B60F3
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(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 170n/an/an/an/an/an/a



Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of human VPS34


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 3-kinase catalytic subunit type 3


(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 8.60n/an/an/an/an/an/a



Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of hVPS34


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
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