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Compile Data Set for Download or QSAR

Found 95 hits Enz. Inhib. hit(s) with Target = 'Phosphatidylinositol 3-kinase catalytic subunit type 3' 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
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)

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=1/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+/s2
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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)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (human))
BDBM50357652
PNG
(CHEMBL1914726)
Show SMILES Fc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1Cl)-c1ccc2nccc(-c3cccnc3)c2c1
Show InChI InChI=1S/C25H16ClFN4O2S/c26-25-24(31-34(32,33)20-6-4-19(27)5-7-20)13-18(15-30-25)16-3-8-23-22(12-16)21(9-11-29-23)17-2-1-10-28-14-17/h1-15,31H
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n/an/a 2.90n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human VPS34 assessed as ADP formation using ATP by fluorescence-based immunoassay


J Med Chem 54: 4735-51 (2011)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (human))
BDBM50357658
PNG
(CHEMBL1914743)
Show SMILES Fc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1Cl)-c1ccc2ncc(nc2c1)N1CCOCC1
Show InChI InChI=1S/C23H19ClFN5O3S/c24-23-21(29-34(31,32)18-4-2-17(25)3-5-18)12-16(13-27-23)15-1-6-19-20(11-15)28-22(14-26-19)30-7-9-33-10-8-30/h1-6,11-14,29H,7-10H2
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n/an/a 5n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human VPS34 assessed as ADP formation using ATP by fluorescence-based immunoassay


J Med Chem 54: 4735-51 (2011)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (human))
BDBM50357653
PNG
(CHEMBL1914727)
Show SMILES Fc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1Cl)-c1ccc2nccc(-c3ccncc3)c2c1
Show InChI InChI=1S/C25H16ClFN4O2S/c26-25-24(31-34(32,33)20-4-2-19(27)3-5-20)14-18(15-30-25)17-1-6-23-22(13-17)21(9-12-29-23)16-7-10-28-11-8-16/h1-15,31H
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n/an/a 5.30n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human VPS34 assessed as ADP formation using ATP by fluorescence-based immunoassay


J Med Chem 54: 4735-51 (2011)

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)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (human))
BDBM50357645
PNG
(CHEMBL1738719)
Show SMILES Fc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1Cl)-c1ccc2nccc(N3CCOCC3)c2c1
Show InChI InChI=1S/C24H20ClFN4O3S/c25-24-22(29-34(31,32)19-4-2-18(26)3-5-19)14-17(15-28-24)16-1-6-21-20(13-16)23(7-8-27-21)30-9-11-33-12-10-30/h1-8,13-15,29H,9-12H2
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n/an/a 11n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human VPS34 assessed as ADP formation using ATP by fluorescence-based immunoassay


J Med Chem 54: 4735-51 (2011)

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 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)

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)

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)

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 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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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)

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)

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)

More data for this
Ligand-Target Pair
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)

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)

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)

More data for this
Ligand-Target Pair
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=1/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)

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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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)

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)

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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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)

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)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(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 183n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of VPS34 (unknown origin)


J Med Chem 57: 903-20 (2014)

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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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)

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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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)

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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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)

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)

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)

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)

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)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(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 374n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human VPS34


J Med Chem 56: 4597-610 (2013)

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)

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=1/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)

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)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (human))
BDBM50401261
PNG
(CHEMBL2206921 | US8772480, 384)
Show SMILES CN(C)S(=O)(=O)Nc1cc(Nc2ncc(Cl)cc2-c2nc(C)nc(N)n2)cnc1Cl
Show InChI InChI=1S/C16H17Cl2N9O2S/c1-8-22-15(25-16(19)23-8)11-4-9(17)6-21-14(11)24-10-5-12(13(18)20-7-10)26-30(28,29)27(2)3/h4-7,26H,1-3H3,(H,21,24)(H2,19,22,23,25)
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n/an/a 606n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human VPS34 using phosphatidylinositol/phosphatidylserine as substrate after 30 mins by fluorescence-based immunoassay


Bioorg Med Chem Lett 22: 5714-20 (2012)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(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 PI3KC3 (unknown origin) by ADP-GLO assay


J Med Chem 56: 712-21 (2013)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (human))
BDBM50401269
PNG
(CHEMBL2206913)
Show SMILES Cc1nc(N)nc(n1)-c1cccnc1Nc1cnc(Cl)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C15H15ClN8O2S/c1-8-20-14(23-15(17)21-8)10-4-3-5-18-13(10)22-9-6-11(12(16)19-7-9)24-27(2,25)26/h3-7,24H,1-2H3,(H,18,22)(H2,17,20,21,23)
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n/an/a 1.29E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human VPS34 using phosphatidylinositol/phosphatidylserine as substrate after 30 mins by fluorescence-based immunoassay


Bioorg Med Chem Lett 22: 5714-20 (2012)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (human))
BDBM50439711
PNG
(CHEMBL2418954)
Show SMILES CC(=O)Nc1cn2cc(ccc2n1)-c1cnc(N)c(c1)C(F)(F)F
Show InChI InChI=1S/C15H12F3N5O/c1-8(24)21-12-7-23-6-9(2-3-13(23)22-12)10-4-11(15(16,17)18)14(19)20-5-10/h2-7H,1H3,(H2,19,20)(H,21,24)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of VPS34 (unknown origin) using 1alpha-phosphotidylinositol by luminescence assay


Bioorg Med Chem Lett 23: 4652-6 (2013)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(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 2.00E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of VPS34 by scintillation proximity assay


J Med Chem 54: 7579-87 (2011)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (human))
BDBM50380363
PNG
(CHEMBL2017974)
Show SMILES Nc1cc(c(cn1)-c1cc(nc(n1)N1CCOCC1)N1CCOCC1)C(F)(F)F
Show InChI InChI=1S/C18H21F3N6O2/c19-18(20,21)13-9-15(22)23-11-12(13)14-10-16(26-1-5-28-6-2-26)25-17(24-14)27-3-7-29-8-4-27/h9-11H,1-8H2,(H2,22,23)
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n/an/a 2.40E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3K VPS34 using 1-alpha-phosphotidylinositol as substrate by ATP depletion assay


Citation and Details
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)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (human))
BDBM50429867
PNG
(CHEMBL2333365)
Show SMILES Cc1c(F)c(ccc1C(=O)N1CCOc2ccc(cc2C1)-c1ccc(N)nc1)S(C)(=O)=O
Show InChI InChI=1S/C23H22FN3O4S/c1-14-18(5-7-20(22(14)24)32(2,29)30)23(28)27-9-10-31-19-6-3-15(11-17(19)13-27)16-4-8-21(25)26-12-16/h3-8,11-12H,9-10,13H2,1-2H3,(H2,25,26)
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n/an/a>3.50E+3n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of VPS34 (unknown origin)


J Med Chem 56: 2218-34 (2013)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (human))
BDBM50401152
PNG
(CHEMBL2205766)
Show SMILES CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1
Show InChI InChI=1S/C15H18N6O2S/c1-15(2,3)20-24(22,23)12-6-11(8-17-9-12)10-4-5-21-13(7-10)18-14(16)19-21/h4-9,20H,1-3H3,(H2,16,19)
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n/an/a<5.89E+3n/an/an/an/an/an/a



Cellzome Ltd

Curated by ChEMBL


Assay Description
Inhibition of PIK3C3


Bioorg Med Chem Lett 22: 4613-8 (2012)

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)

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=1/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-/s2
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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)

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)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(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>9.00E+3n/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 55: 5188-219 (2012)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (human))
BDBM50394889
PNG
(CHEMBL2165268 | US8772480, 22)
Show SMILES Cc1nc(N)nc(n1)-c1cccnc1Nc1cccc2[nH]ccc12
Show InChI InChI=1S/C17H15N7/c1-10-21-16(24-17(18)22-10)12-4-3-8-20-15(12)23-14-6-2-5-13-11(14)7-9-19-13/h2-9,19H,1H3,(H,20,23)(H2,18,21,22,24)
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n/an/a>9.00E+3n/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 55: 5188-219 (2012)

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)

More data for this
Ligand-Target Pair
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