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Compile Data Set for Download or QSAR

Found 1355 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))
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))
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))
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



Curtin University

Curated by ChEMBL


Assay Description
Inhibition of Vps34 (unknown origin)


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 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)


Article DOI: 10.1021/jm200386s
BindingDB Entry DOI: 10.7270/Q2FB53C5
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)


Article DOI: 10.1021/jm200386s
BindingDB Entry DOI: 10.7270/Q2FB53C5
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)


Article DOI: 10.1021/jm200386s
BindingDB Entry DOI: 10.7270/Q2FB53C5
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
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (Human))
BDBM338011
PNG
(US9751854, Compound I-187 | US9802960, Compound I-...)
Show SMILES CC(=O)Nc1cc(ccn1)-c1cnc(N)c(c1)C(=O)NC12CC(C1)C2
Show InChI InChI=1S/C18H19N5O2/c1-10(24)22-15-5-12(2-3-20-15)13-4-14(16(19)21-9-13)17(25)23-18-6-11(7-18)8-18/h2-5,9,11H,6-8H2,1H3,(H2,19,21)(H,23,25)(H,20,22,24)
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
100 nL compounds in DMSO are added to wells of a 384 well microtitre plate (Greiner 780076). At room temperature: 5 ul VPS34 reaction buffer (Invitro...


US Patent US9802960 (2017)

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


(Homo sapiens (Human))
BDBM338019
PNG
(US9751854, Compound I-195 | US9802960, Compound I-...)
Show SMILES COC(=O)Nc1cc(ccn1)-c1cnc(C)c(NS(=O)(=O)c2ccc(F)cc2F)c1
Show InChI InChI=1S/C19H16F2N4O4S/c1-11-16(25-30(27,28)17-4-3-14(20)9-15(17)21)7-13(10-23-11)12-5-6-22-18(8-12)24-19(26)29-2/h3-10,25H,1-2H3,(H,22,24,26)
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
100 nL compounds in DMSO are added to wells of a 384 well microtitre plate (Greiner 780076). At room temperature: 5 ul VPS34 reaction buffer (Invitro...


US Patent US9802960 (2017)

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


(Homo sapiens (Human))
BDBM338020
PNG
(US9751854, Compound I-196 | US9802960, Compound I-...)
Show SMILES CC(=O)Nc1cc(ccn1)-c1cnc(C)c(NS(=O)(=O)c2ccc(cc2Cl)C(F)(F)F)c1
Show InChI InChI=1S/C20H16ClF3N4O3S/c1-11-17(7-14(10-26-11)13-5-6-25-19(8-13)27-12(2)29)28-32(30,31)18-4-3-15(9-16(18)21)20(22,23)24/h3-10,28H,1-2H3,(H,25,27,29)
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
100 nL compounds in DMSO are added to wells of a 384 well microtitre plate (Greiner 780076). At room temperature: 5 ul VPS34 reaction buffer (Invitro...


US Patent US9802960 (2017)

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


(Homo sapiens (Human))
BDBM338023
PNG
(US9751854, Compound I-199 | US9802960, Compound I-...)
Show SMILES CC(=O)Nc1cc(ccn1)-c1cnc2ccn(c2c1)S(=O)(=O)C1CC1
Show InChI InChI=1S/C17H16N4O3S/c1-11(22)20-17-9-12(4-6-18-17)13-8-16-15(19-10-13)5-7-21(16)25(23,24)14-2-3-14/h4-10,14H,2-3H2,1H3,(H,18,20,22)
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
100 nL compounds in DMSO are added to wells of a 384 well microtitre plate (Greiner 780076). At room temperature: 5 ul VPS34 reaction buffer (Invitro...


US Patent US9802960 (2017)

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


(Homo sapiens (Human))
BDBM338024
PNG
(US9751854, Compound I-200 | US9802960, Compound I-...)
Show SMILES CC(=O)Nc1cc(ccn1)-c1cnc(N)c(c1)C(=O)N1CCC1
Show InChI InChI=1S/C16H17N5O2/c1-10(22)20-14-8-11(3-4-18-14)12-7-13(15(17)19-9-12)16(23)21-5-2-6-21/h3-4,7-9H,2,5-6H2,1H3,(H2,17,19)(H,18,20,22)
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
100 nL compounds in DMSO are added to wells of a 384 well microtitre plate (Greiner 780076). At room temperature: 5 ul VPS34 reaction buffer (Invitro...


US Patent US9802960 (2017)

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


(Homo sapiens (Human))
BDBM338025
PNG
(US9751854, Compound I-201 | US9802960, Compound I-...)
Show SMILES CCc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccnc(NC(C)=O)c1
Show InChI InChI=1S/C20H18F2N4O3S/c1-3-17-18(26-30(28,29)19-5-4-15(21)10-16(19)22)8-14(11-24-17)13-6-7-23-20(9-13)25-12(2)27/h4-11,26H,3H2,1-2H3,(H,23,25,27)
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
100 nL compounds in DMSO are added to wells of a 384 well microtitre plate (Greiner 780076). At room temperature: 5 ul VPS34 reaction buffer (Invitro...


US Patent US9802960 (2017)

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


(Homo sapiens (Human))
BDBM338027
PNG
(US9751854, Compound I-203 | US9802960, Compound I-...)
Show SMILES CC(=O)Nc1cc(ccn1)-c1cnc(C)c(NS(=O)(=O)c2ccsc2)c1
Show InChI InChI=1S/C17H16N4O3S2/c1-11-16(21-26(23,24)15-4-6-25-10-15)7-14(9-19-11)13-3-5-18-17(8-13)20-12(2)22/h3-10,21H,1-2H3,(H,18,20,22)
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
100 nL compounds in DMSO are added to wells of a 384 well microtitre plate (Greiner 780076). At room temperature: 5 ul VPS34 reaction buffer (Invitro...


US Patent US9802960 (2017)

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


(Homo sapiens (Human))
BDBM338028
PNG
(US9751854, Compound I-204 | US9802960, Compound I-...)
Show SMILES CC(=O)Nc1cc(ccn1)-c1cnc(N)c(c1)S(=O)(=O)Nc1cccnc1
Show InChI InChI=1S/C17H16N6O3S/c1-11(24)22-16-8-12(4-6-20-16)13-7-15(17(18)21-9-13)27(25,26)23-14-3-2-5-19-10-14/h2-10,23H,1H3,(H2,18,21)(H,20,22,24)
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
100 nL compounds in DMSO are added to wells of a 384 well microtitre plate (Greiner 780076). At room temperature: 5 ul VPS34 reaction buffer (Invitro...


US Patent US9802960 (2017)

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


(Homo sapiens (Human))
BDBM338030
PNG
(US9751854, Compound I-206 | US9802960, Compound I-...)
Show SMILES CC(=O)Nc1cc(ccn1)-c1cnc(C)c(NS(=O)(=O)c2ccc(F)cc2Cl)c1
Show InChI InChI=1S/C19H16ClFN4O3S/c1-11-17(25-29(27,28)18-4-3-15(21)9-16(18)20)7-14(10-23-11)13-5-6-22-19(8-13)24-12(2)26/h3-10,25H,1-2H3,(H,22,24,26)
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
100 nL compounds in DMSO are added to wells of a 384 well microtitre plate (Greiner 780076). At room temperature: 5 ul VPS34 reaction buffer (Invitro...


US Patent US9802960 (2017)

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


(Homo sapiens (Human))
BDBM338032
PNG
(US9751854, Compound I-207 | US9802960, Compound I-...)
Show SMILES CC(=O)Nc1cc(ccn1)-c1cnc(N)c(c1)S(=O)(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C18H16ClN5O3S/c1-11(25)23-17-9-12(6-7-21-17)13-8-16(18(20)22-10-13)28(26,27)24-15-4-2-14(19)3-5-15/h2-10,24H,1H3,(H2,20,22)(H,21,23,25)
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
100 nL compounds in DMSO are added to wells of a 384 well microtitre plate (Greiner 780076). At room temperature: 5 ul VPS34 reaction buffer (Invitro...


US Patent US9802960 (2017)

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


(Homo sapiens (Human))
BDBM338036
PNG
(US9751854, Compound I-211 | US9802960, Compound I-...)
Show SMILES CC(=O)Nc1cc(ccn1)-c1cnc(C)c(NS(=O)(=O)c2ccccc2C)c1
Show InChI InChI=1S/C20H20N4O3S/c1-13-6-4-5-7-19(13)28(26,27)24-18-10-17(12-22-14(18)2)16-8-9-21-20(11-16)23-15(3)25/h4-12,24H,1-3H3,(H,21,23,25)
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
100 nL compounds in DMSO are added to wells of a 384 well microtitre plate (Greiner 780076). At room temperature: 5 ul VPS34 reaction buffer (Invitro...


US Patent US9802960 (2017)

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


(Homo sapiens (Human))
BDBM338039
PNG
(US9751854, Compound I-214 | US9802960, Compound I-...)
Show SMILES CC(=O)Nc1cc(ccn1)-c1cnc(C)c(NS(=O)(=O)N2CCCCC2)c1
Show InChI InChI=1S/C18H23N5O3S/c1-13-17(22-27(25,26)23-8-4-3-5-9-23)10-16(12-20-13)15-6-7-19-18(11-15)21-14(2)24/h6-7,10-12,22H,3-5,8-9H2,1-2H3,(H,19,21,24)
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
100 nL compounds in DMSO are added to wells of a 384 well microtitre plate (Greiner 780076). At room temperature: 5 ul VPS34 reaction buffer (Invitro...


US Patent US9802960 (2017)

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


(Homo sapiens (Human))
BDBM338042
PNG
(US9751854, Compound I-217 | US9802960, Compound I-...)
Show SMILES CN(C)S(=O)(=O)Nc1cc(cnc1C)-c1ccnc(Nc2ccncn2)c1
Show InChI InChI=1S/C17H19N7O2S/c1-12-15(23-27(25,26)24(2)3)8-14(10-20-12)13-4-7-19-17(9-13)22-16-5-6-18-11-21-16/h4-11,23H,1-3H3,(H,18,19,21,22)
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
100 nL compounds in DMSO are added to wells of a 384 well microtitre plate (Greiner 780076). At room temperature: 5 ul VPS34 reaction buffer (Invitro...


US Patent US9802960 (2017)

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


(Homo sapiens (Human))
BDBM338050
PNG
(US9751854, Compound I-225 | US9802960, Compound I-...)
Show SMILES COc1nccc(Nc2cc(ccn2)-c2cnc(Cl)c(NS(=O)(=O)c3ccc(F)cc3F)c2C)n1
Show InChI InChI=1S/C22H17ClF2N6O3S/c1-12-15(13-5-7-26-19(9-13)29-18-6-8-27-22(30-18)34-2)11-28-21(23)20(12)31-35(32,33)17-4-3-14(24)10-16(17)25/h3-11,31H,1-2H3,(H,26,27,29,30)
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
100 nL compounds in DMSO are added to wells of a 384 well microtitre plate (Greiner 780076). At room temperature: 5 ul VPS34 reaction buffer (Invitro...


US Patent US9802960 (2017)

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


(Homo sapiens (Human))
BDBM338053
PNG
(US9751854, Compound I-228 | US9802960, Compound I-...)
Show SMILES Cc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccnc(Nc2ccc(cn2)C#N)c1
Show InChI InChI=1S/C23H16F2N6O2S/c1-14-20(31-34(32,33)21-4-3-18(24)10-19(21)25)8-17(13-28-14)16-6-7-27-23(9-16)30-22-5-2-15(11-26)12-29-22/h2-10,12-13,31H,1H3,(H,27,29,30)
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
100 nL compounds in DMSO are added to wells of a 384 well microtitre plate (Greiner 780076). At room temperature: 5 ul VPS34 reaction buffer (Invitro...


US Patent US9802960 (2017)

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


(Homo sapiens (Human))
BDBM338054
PNG
(US9751854, Compound I-229 | US9802960, Compound I-...)
Show SMILES CN(C)S(=O)(=O)Nc1cc(cnc1C)-c1ccnc(Nc2ccc(C#N)c(C)n2)c1
Show InChI InChI=1S/C20H21N7O2S/c1-13-16(11-21)5-6-19(24-13)25-20-10-15(7-8-22-20)17-9-18(14(2)23-12-17)26-30(28,29)27(3)4/h5-10,12,26H,1-4H3,(H,22,24,25)
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
100 nL compounds in DMSO are added to wells of a 384 well microtitre plate (Greiner 780076). At room temperature: 5 ul VPS34 reaction buffer (Invitro...


US Patent US9802960 (2017)

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


(Homo sapiens (Human))
BDBM352660
PNG
(US9802960, Compound I-238)
Show SMILES Cc1ncc(c(C)c1NS(=O)(=O)c1ccc(F)cc1F)-c1ccnc(Nc2ccc(C#N)c(C)n2)c1
Show InChI InChI=1S/C25H20F2N6O2S/c1-14-20(17-8-9-29-24(10-17)32-23-7-4-18(12-28)15(2)31-23)13-30-16(3)25(14)33-36(34,35)22-6-5-19(26)11-21(22)27/h4-11,13,33H,1-3H3,(H,29,31,32)
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
100 nL compounds in DMSO are added to wells of a 384 well microtitre plate (Greiner 780076). At room temperature: 5 ul VPS34 reaction buffer (Invitro...


US Patent US9802960 (2017)

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


(Homo sapiens (Human))
BDBM338064
PNG
(US9751854, Compound I-239 | US9802960, Compound I-...)
Show SMILES Cc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccnc(Nc2ccncn2)c1
Show InChI InChI=1S/C21H16F2N6O2S/c1-13-18(29-32(30,31)19-3-2-16(22)10-17(19)23)8-15(11-26-13)14-4-7-25-21(9-14)28-20-5-6-24-12-27-20/h2-12,29H,1H3,(H,24,25,27,28)
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
100 nL compounds in DMSO are added to wells of a 384 well microtitre plate (Greiner 780076). At room temperature: 5 ul VPS34 reaction buffer (Invitro...


US Patent US9802960 (2017)

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


(Homo sapiens (Human))
BDBM337887
PNG
(US9751854, Compound I-70 | US9802960, Compound I-7...)
Show SMILES CC(=O)Nc1cc(ccn1)-c1cnc(C)c(NS(=O)(=O)c2cccc(c2)C(C)(C)C)c1
Show InChI InChI=1S/C23H26N4O3S/c1-15-21(27-31(29,30)20-8-6-7-19(13-20)23(3,4)5)11-18(14-25-15)17-9-10-24-22(12-17)26-16(2)28/h6-14,27H,1-5H3,(H,24,26,28)
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
100 nL compounds in DMSO are added to wells of a 384 well microtitre plate (Greiner 780076). At room temperature: 5 ul VPS34 reaction buffer (Invitro...


US Patent US9802960 (2017)

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


(Homo sapiens (Human))
BDBM337888
PNG
(US9751854, Compound I-71 | US9802960, Compound I-7...)
Show SMILES CC(=O)Nc1cc(ccn1)-c1cnc(N)c(c1)C(=O)N1CCc2ccccc12
Show InChI InChI=1S/C21H19N5O2/c1-13(27)25-19-11-15(6-8-23-19)16-10-17(20(22)24-12-16)21(28)26-9-7-14-4-2-3-5-18(14)26/h2-6,8,10-12H,7,9H2,1H3,(H2,22,24)(H,23,25,27)
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
100 nL compounds in DMSO are added to wells of a 384 well microtitre plate (Greiner 780076). At room temperature: 5 ul VPS34 reaction buffer (Invitro...


US Patent US9802960 (2017)

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


(Homo sapiens (Human))
BDBM337889
PNG
(US9751854, Compound I-72 | US9802960, Compound I-7...)
Show SMILES CC(=O)Nc1cc(ccn1)-c1cnc(C)c(NS(=O)(=O)C2CCCCC2)c1
Show InChI InChI=1S/C19H24N4O3S/c1-13-18(23-27(25,26)17-6-4-3-5-7-17)10-16(12-21-13)15-8-9-20-19(11-15)22-14(2)24/h8-12,17,23H,3-7H2,1-2H3,(H,20,22,24)
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
100 nL compounds in DMSO are added to wells of a 384 well microtitre plate (Greiner 780076). At room temperature: 5 ul VPS34 reaction buffer (Invitro...


US Patent US9802960 (2017)

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


(Homo sapiens (Human))
BDBM352495
PNG
(US9802960, Compound I-73)
Show SMILES CC(C)CNS(=O)(=O)c1cc(cnc1N)-c1ccnc(NC(N)=O)c1
Show InChI InChI=1S/C15H20N6O3S/c1-9(2)7-20-25(23,24)12-5-11(8-19-14(12)16)10-3-4-18-13(6-10)21-15(17)22/h3-6,8-9,20H,7H2,1-2H3,(H2,16,19)(H3,17,18,21,22)
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
100 nL compounds in DMSO are added to wells of a 384 well microtitre plate (Greiner 780076). At room temperature: 5 ul VPS34 reaction buffer (Invitro...


US Patent US9802960 (2017)

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


(Homo sapiens (Human))
BDBM337893
PNG
(US9751854, Compound I-74 | US9802960, Compound I-7...)
Show SMILES COc1ccccc1S(=O)(=O)Nc1cc(cnc1C)-c1ccnc(NC(C)=O)c1
Show InChI InChI=1S/C20H20N4O4S/c1-13-17(24-29(26,27)19-7-5-4-6-18(19)28-3)10-16(12-22-13)15-8-9-21-20(11-15)23-14(2)25/h4-12,24H,1-3H3,(H,21,23,25)
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
100 nL compounds in DMSO are added to wells of a 384 well microtitre plate (Greiner 780076). At room temperature: 5 ul VPS34 reaction buffer (Invitro...


US Patent US9802960 (2017)

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


(Homo sapiens (Human))
BDBM337895
PNG
(US9751854, Compound I-76 | US9802960, Compound I-7...)
Show SMILES CN(Cc1ccccc1)S(=O)(=O)c1cc(cnc1N)-c1ccnc(NC(C)=O)c1
Show InChI InChI=1S/C20H21N5O3S/c1-14(26)24-19-11-16(8-9-22-19)17-10-18(20(21)23-12-17)29(27,28)25(2)13-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H2,21,23)(H,22,24,26)
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
100 nL compounds in DMSO are added to wells of a 384 well microtitre plate (Greiner 780076). At room temperature: 5 ul VPS34 reaction buffer (Invitro...


US Patent US9802960 (2017)

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


(Homo sapiens (Human))
BDBM337896
PNG
(US9751854, Compound I-77 | US9802960, Compound I-7...)
Show SMILES CC(C)N(C(C)C)S(=O)(=O)c1cc(cnc1N)-c1ccnc(NC(C)=O)c1
Show InChI InChI=1S/C18H25N5O3S/c1-11(2)23(12(3)4)27(25,26)16-8-15(10-21-18(16)19)14-6-7-20-17(9-14)22-13(5)24/h6-12H,1-5H3,(H2,19,21)(H,20,22,24)
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
100 nL compounds in DMSO are added to wells of a 384 well microtitre plate (Greiner 780076). At room temperature: 5 ul VPS34 reaction buffer (Invitro...


US Patent US9802960 (2017)

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


(Homo sapiens (Human))
BDBM337897
PNG
(US9751854, Compound I-78 | US9802960, Compound I-7...)
Show SMILES CC(=O)Nc1cc(ccn1)-c1cnc(C)c(NS(=O)(=O)c2cccc3ccccc23)c1
Show InChI InChI=1S/C23H20N4O3S/c1-15-21(12-19(14-25-15)18-10-11-24-23(13-18)26-16(2)28)27-31(29,30)22-9-5-7-17-6-3-4-8-20(17)22/h3-14,27H,1-2H3,(H,24,26,28)
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
100 nL compounds in DMSO are added to wells of a 384 well microtitre plate (Greiner 780076). At room temperature: 5 ul VPS34 reaction buffer (Invitro...


US Patent US9802960 (2017)

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


(Homo sapiens (Human))
BDBM337899
PNG
(US9751854, Compound I-80 | US9802960, Compound I-8...)
Show SMILES CC(=O)Nc1cc(ccn1)-c1cnc(C)c(NS(=O)(=O)c2ccc(C)cc2)c1
Show InChI InChI=1S/C20H20N4O3S/c1-13-4-6-18(7-5-13)28(26,27)24-19-10-17(12-22-14(19)2)16-8-9-21-20(11-16)23-15(3)25/h4-12,24H,1-3H3,(H,21,23,25)
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
100 nL compounds in DMSO are added to wells of a 384 well microtitre plate (Greiner 780076). At room temperature: 5 ul VPS34 reaction buffer (Invitro...


US Patent US9802960 (2017)

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


(Homo sapiens (Human))
BDBM337900
PNG
(US9751854, Compound I-81 | US9802960, Compound I-8...)
Show SMILES CC1CCN(CC1)C(=O)c1cc(cnc1N)-c1ccnc(NC(C)=O)c1
Show InChI InChI=1S/C19H23N5O2/c1-12-4-7-24(8-5-12)19(26)16-9-15(11-22-18(16)20)14-3-6-21-17(10-14)23-13(2)25/h3,6,9-12H,4-5,7-8H2,1-2H3,(H2,20,22)(H,21,23,25)
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
100 nL compounds in DMSO are added to wells of a 384 well microtitre plate (Greiner 780076). At room temperature: 5 ul VPS34 reaction buffer (Invitro...


US Patent US9802960 (2017)

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


(Homo sapiens (Human))
BDBM337903
PNG
(US9751854, Compound I-84 | US9802960, Compound I-8...)
Show SMILES CC(=O)Nc1cc(ccn1)-c1cnc(C)c(NS(=O)(=O)c2ccccc2)c1
Show InChI InChI=1S/C19H18N4O3S/c1-13-18(23-27(25,26)17-6-4-3-5-7-17)10-16(12-21-13)15-8-9-20-19(11-15)22-14(2)24/h3-12,23H,1-2H3,(H,20,22,24)
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
100 nL compounds in DMSO are added to wells of a 384 well microtitre plate (Greiner 780076). At room temperature: 5 ul VPS34 reaction buffer (Invitro...


US Patent US9802960 (2017)

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


(Homo sapiens (Human))
BDBM337905
PNG
(US9751854, Compound I-86 | US9802960, Compound I-8...)
Show SMILES CC(=O)Nc1cc(ccn1)-c1ccc(c(F)c1)S(=O)(=O)Nc1cc(cnc1C)-c1ccnc(NC(C)=O)c1
Show InChI InChI=1S/C26H23FN6O4S/c1-15-23(11-21(14-30-15)20-7-9-29-26(13-20)32-17(3)35)33-38(36,37)24-5-4-18(10-22(24)27)19-6-8-28-25(12-19)31-16(2)34/h4-14,33H,1-3H3,(H,28,31,34)(H,29,32,35)
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
100 nL compounds in DMSO are added to wells of a 384 well microtitre plate (Greiner 780076). At room temperature: 5 ul VPS34 reaction buffer (Invitro...


US Patent US9802960 (2017)

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


(Homo sapiens (Human))
BDBM337906
PNG
(US9751854, Compound I-87 | US9802960, Compound I-8...)
Show SMILES CC(=O)Nc1cc(ccn1)-c1cnc(N)c(c1)S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C16H19N5O3S/c1-11(22)20-15-9-12(4-5-18-15)13-8-14(16(17)19-10-13)25(23,24)21-6-2-3-7-21/h4-5,8-10H,2-3,6-7H2,1H3,(H2,17,19)(H,18,20,22)
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
100 nL compounds in DMSO are added to wells of a 384 well microtitre plate (Greiner 780076). At room temperature: 5 ul VPS34 reaction buffer (Invitro...


US Patent US9802960 (2017)

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


(Homo sapiens (Human))
BDBM337909
PNG
(US9751854, Compound I-90 | US9802960, Compound I-9...)
Show SMILES CC(=O)Nc1cc(ccn1)-c1cnc(C)c(NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C20H17F3N4O3S/c1-12-18(27-31(29,30)17-5-3-16(4-6-17)20(21,22)23)9-15(11-25-12)14-7-8-24-19(10-14)26-13(2)28/h3-11,27H,1-2H3,(H,24,26,28)
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
100 nL compounds in DMSO are added to wells of a 384 well microtitre plate (Greiner 780076). At room temperature: 5 ul VPS34 reaction buffer (Invitro...


US Patent US9802960 (2017)

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


(Homo sapiens (Human))
BDBM337910
PNG
(US9751854, Compound I-91 | US9802960, Compound I-9...)
Show SMILES CC(=O)Nc1cc(ccn1)-c1cnc(N)c(c1)C(=O)Nc1cccnc1
Show InChI InChI=1S/C18H16N6O2/c1-11(25)23-16-8-12(4-6-21-16)13-7-15(17(19)22-9-13)18(26)24-14-3-2-5-20-10-14/h2-10H,1H3,(H2,19,22)(H,24,26)(H,21,23,25)
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
100 nL compounds in DMSO are added to wells of a 384 well microtitre plate (Greiner 780076). At room temperature: 5 ul VPS34 reaction buffer (Invitro...


US Patent US9802960 (2017)

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


(Homo sapiens (Human))
BDBM337913
PNG
(US9751854, Compound I-94 | US9802960, Compound I-9...)
Show SMILES CC(=O)Nc1cc(ccn1)-c1cnc(C)c(NS(=O)(=O)c2ccc(Cl)cc2F)c1
Show InChI InChI=1S/C19H16ClFN4O3S/c1-11-17(25-29(27,28)18-4-3-15(20)9-16(18)21)7-14(10-23-11)13-5-6-22-19(8-13)24-12(2)26/h3-10,25H,1-2H3,(H,22,24,26)
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
100 nL compounds in DMSO are added to wells of a 384 well microtitre plate (Greiner 780076). At room temperature: 5 ul VPS34 reaction buffer (Invitro...


US Patent US9802960 (2017)

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


(Homo sapiens (Human))
BDBM337916
PNG
(US9751854, Compound I-97 | US9802960, Compound I-9...)
Show SMILES CC(=O)Nc1cc(ccn1)-c1cnc(N)c(c1)S(=O)(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C18H16ClN5O3S/c1-11(25)23-17-8-12(5-6-21-17)13-7-16(18(20)22-10-13)28(26,27)24-15-4-2-3-14(19)9-15/h2-10,24H,1H3,(H2,20,22)(H,21,23,25)
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
100 nL compounds in DMSO are added to wells of a 384 well microtitre plate (Greiner 780076). At room temperature: 5 ul VPS34 reaction buffer (Invitro...


US Patent US9802960 (2017)

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


(Homo sapiens (Human))
BDBM337919
PNG
(US9751854, Compound I-100 | US9802960, Compound I-...)
Show SMILES CNc1ncc(cc1S(=O)(=O)Nc1ccccc1)-c1ccnc(NC(C)=O)c1
Show InChI InChI=1S/C19H19N5O3S/c1-13(25)23-18-11-14(8-9-21-18)15-10-17(19(20-2)22-12-15)28(26,27)24-16-6-4-3-5-7-16/h3-12,24H,1-2H3,(H,20,22)(H,21,23,25)
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
100 nL compounds in DMSO are added to wells of a 384 well microtitre plate (Greiner 780076). At room temperature: 5 ul VPS34 reaction buffer (Invitro...


US Patent US9802960 (2017)

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


(Homo sapiens (Human))
BDBM337920
PNG
(US9751854, Compound I-101 | US9802960, Compound I-...)
Show SMILES CC(=O)Nc1cc(ccn1)-c1cnc(N)c(c1)S(=O)(=O)NC1CCCCC1
Show InChI InChI=1S/C18H23N5O3S/c1-12(24)22-17-10-13(7-8-20-17)14-9-16(18(19)21-11-14)27(25,26)23-15-5-3-2-4-6-15/h7-11,15,23H,2-6H2,1H3,(H2,19,21)(H,20,22,24)
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
100 nL compounds in DMSO are added to wells of a 384 well microtitre plate (Greiner 780076). At room temperature: 5 ul VPS34 reaction buffer (Invitro...


US Patent US9802960 (2017)

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


(Homo sapiens (Human))
BDBM337922
PNG
(US9751854, Compound I-103 | US9802960, Compound I-...)
Show SMILES CN1CCN(CC1)S(=O)(=O)c1c[nH]c2ncc(cc12)-c1ccnc(NC(C)=O)c1
Show InChI InChI=1S/C19H22N6O3S/c1-13(26)23-18-10-14(3-4-20-18)15-9-16-17(12-22-19(16)21-11-15)29(27,28)25-7-5-24(2)6-8-25/h3-4,9-12H,5-8H2,1-2H3,(H,21,22)(H,20,23,26)
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
100 nL compounds in DMSO are added to wells of a 384 well microtitre plate (Greiner 780076). At room temperature: 5 ul VPS34 reaction buffer (Invitro...


US Patent US9802960 (2017)

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


(Homo sapiens (Human))
BDBM337923
PNG
(US9751854, Compound I-104 | US9802960, Compound I-...)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccnc(NC(C)=O)c1
Show InChI InChI=1S/C19H16F2N4O4S/c1-11(26)24-18-8-12(5-6-22-18)13-7-16(19(29-2)23-10-13)25-30(27,28)17-4-3-14(20)9-15(17)21/h3-10,25H,1-2H3,(H,22,24,26)
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
100 nL compounds in DMSO are added to wells of a 384 well microtitre plate (Greiner 780076). At room temperature: 5 ul VPS34 reaction buffer (Invitro...


US Patent US9802960 (2017)

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


(Homo sapiens (Human))
BDBM337926
PNG
(US9751854, Compound I-107 | US9802960, Compound I-...)
Show SMILES COc1ncc(cc1S(=O)(=O)Nc1ccc(F)cc1F)-c1ccnc(NC(C)=O)c1
Show InChI InChI=1S/C19H16F2N4O4S/c1-11(26)24-18-8-12(5-6-22-18)13-7-17(19(29-2)23-10-13)30(27,28)25-16-4-3-14(20)9-15(16)21/h3-10,25H,1-2H3,(H,22,24,26)
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
100 nL compounds in DMSO are added to wells of a 384 well microtitre plate (Greiner 780076). At room temperature: 5 ul VPS34 reaction buffer (Invitro...


US Patent US9802960 (2017)

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


(Homo sapiens (Human))
BDBM337928
PNG
(US9751854, Compound I-109 | US9802960, Compound I-...)
Show SMILES CC(=O)Nc1cc(ccn1)-c1cnc(C)c(NS(=O)(=O)c2ccccc2Cl)c1
Show InChI InChI=1S/C19H17ClN4O3S/c1-12-17(24-28(26,27)18-6-4-3-5-16(18)20)9-15(11-22-12)14-7-8-21-19(10-14)23-13(2)25/h3-11,24H,1-2H3,(H,21,23,25)
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
100 nL compounds in DMSO are added to wells of a 384 well microtitre plate (Greiner 780076). At room temperature: 5 ul VPS34 reaction buffer (Invitro...


US Patent US9802960 (2017)

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


(Homo sapiens (Human))
BDBM337929
PNG
(US9751854, Compound I-110 | US9802960, Compound I-...)
Show SMILES CN(CC1CC1)S(=O)(=O)c1cc(cnc1N)-c1ccnc(NC(C)=O)c1
Show InChI InChI=1S/C17H21N5O3S/c1-11(23)21-16-8-13(5-6-19-16)14-7-15(17(18)20-9-14)26(24,25)22(2)10-12-3-4-12/h5-9,12H,3-4,10H2,1-2H3,(H2,18,20)(H,19,21,23)
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
100 nL compounds in DMSO are added to wells of a 384 well microtitre plate (Greiner 780076). At room temperature: 5 ul VPS34 reaction buffer (Invitro...


US Patent US9802960 (2017)

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


(Homo sapiens (Human))
BDBM337930
PNG
(US9751854, Compound I-111 | US9802960, Compound I-...)
Show SMILES CC(=O)Nc1cc(ccn1)-c1cnc(C)c(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1
Show InChI InChI=1S/C19H16Cl2N4O3S/c1-11-17(25-29(27,28)18-9-15(20)3-4-16(18)21)7-14(10-23-11)13-5-6-22-19(8-13)24-12(2)26/h3-10,25H,1-2H3,(H,22,24,26)
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
100 nL compounds in DMSO are added to wells of a 384 well microtitre plate (Greiner 780076). At room temperature: 5 ul VPS34 reaction buffer (Invitro...


US Patent US9802960 (2017)

More data for this
Ligand-Target Pair
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