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Patent code US9802960

Compile Data Set for Download or QSAR

Found 484 hits of Enzyme Inhibition Constant Data   
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))
BDBM337978
PNG
(US9751854, Compound I-154 | US9802960, Compound I-...)
Show SMILES CC(=O)Nc1cc(ccn1)-c1cnc(C)c(NS(=O)(=O)c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C19H17ClN4O3S/c1-12-18(24-28(26,27)17-5-3-16(20)4-6-17)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))
BDBM337980
PNG
(US9751854, Compound I-156 | US9802960, Compound I-...)
Show SMILES CC(=O)Nc1cc(ccn1)-c1cnc(N)c(c1)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C17H21N5O3S/c1-12(23)21-16-10-13(5-6-19-16)14-9-15(17(18)20-11-14)26(24,25)22-7-3-2-4-8-22/h5-6,9-11H,2-4,7-8H2,1H3,(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))
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))
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))
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))
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))
BDBM338100
PNG
(US9751854, Compound I-276 | US9802960, Compound I-...)
Show SMILES Cc1cccc(Nc2cc(ccn2)-c2cnc(C)c(NS(=O)(=O)c3ccc(F)cc3F)c2)n1
Show InChI InChI=1S/C23H19F2N5O2S/c1-14-4-3-5-22(28-14)29-23-11-16(8-9-26-23)17-10-20(15(2)27-13-17)30-33(31,32)21-7-6-18(24)12-19(21)25/h3-13,30H,1-2H3,(H,26,28,29)
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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))
BDBM338099
PNG
(US9751854, Compound I-275 | US9802960, Compound I-...)
Show SMILES CN(C(=O)c1cc(cnc1C)-c1ccnc(Nc2ccnc(C)n2)c1)C12CC(C1)C2
Show InChI InChI=1S/C23H24N6O/c1-14-19(22(30)29(3)23-10-16(11-23)12-23)8-18(13-26-14)17-4-6-25-21(9-17)28-20-5-7-24-15(2)27-20/h4-9,13,16H,10-12H2,1-3H3,(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))
BDBM338106
PNG
(US9751854, Compound I-282 | US9802960, Compound I-...)
Show SMILES Cc1c(NS(=O)(=O)c2ccc(F)cc2F)c(Cl)ncc1-c1ccnc(Nc2ccncn2)c1
Show InChI InChI=1S/C21H15ClF2N6O2S/c1-12-15(13-4-7-26-19(8-13)29-18-5-6-25-11-28-18)10-27-21(22)20(12)30-33(31,32)17-3-2-14(23)9-16(17)24/h2-11,30H,1H3,(H,25,26,28,29)
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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))
BDBM338132
PNG
(US9751854, Compound I-308 | US9802960, Compound I-...)
Show SMILES Cc1c(NS(=O)(=O)c2ccc(F)cc2F)c(Cl)ncc1-c1ccnc(NC(=O)C2CC2)c1
Show InChI InChI=1S/C21H17ClF2N4O3S/c1-11-15(13-6-7-25-18(8-13)27-21(29)12-2-3-12)10-26-20(22)19(11)28-32(30,31)17-5-4-14(23)9-16(17)24/h4-10,12,28H,2-3H2,1H3,(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))
BDBM352759
PNG
(US9802960, Compound I-342)
Show SMILES CC(=O)Nc1cc(ccn1)-c1cnc(Cl)c(NS(=O)(=O)c2cccc(Cl)c2Cl)c1
Show InChI InChI=1S/C18H13Cl3N4O3S/c1-10(26)24-16-8-11(5-6-22-16)12-7-14(18(21)23-9-12)25-29(27,28)15-4-2-3-13(19)17(15)20/h2-9,25H,1H3,(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))
BDBM338301
PNG
(US9751854, Compound I-486 | US9802960, Compound I-...)
Show SMILES Cc1nccc(Nc2cc(ccn2)-c2cc(NS(=O)(=O)c3ccc(F)cc3F)c3ccnn3c2)n1
Show InChI InChI=1S/C23H17F2N7O2S/c1-14-26-8-6-22(29-14)30-23-11-15(4-7-27-23)16-10-19(20-5-9-28-32(20)13-16)31-35(33,34)21-3-2-17(24)12-18(21)25/h2-13,31H,1H3,(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))
BDBM337824
PNG
(US9751854, Compound I-7 | US9802960, Compound I-7)
Show SMILES CC(C)NS(=O)(=O)c1cc(cnc1N)-c1ccnc(NC(C)=O)c1
Show InChI InChI=1S/C15H19N5O3S/c1-9(2)20-24(22,23)13-6-12(8-18-15(13)16)11-4-5-17-14(7-11)19-10(3)21/h4-9,20H,1-3H3,(H2,16,18)(H,17,19,21)
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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))
BDBM337849
PNG
(US9751854, Compound I-32 | US9802960, Compound I-3...)
Show SMILES CN(C)S(=O)(=O)Nc1cc(cnc1C)-c1ccnc(NC(C)=O)c1
Show InChI InChI=1S/C15H19N5O3S/c1-10-14(19-24(22,23)20(3)4)7-13(9-17-10)12-5-6-16-15(8-12)18-11(2)21/h5-9,19H,1-4H3,(H,16,18,21)
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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))
BDBM337860
PNG
(US9751854, Compound I-43 | US9802960, Compound I-4...)
Show SMILES CC(=O)Nc1cc(ccn1)-c1cnc(N)c(c1)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C18H17N5O3S/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/h2-11,23H,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))
BDBM337879
PNG
(US9751854, Compound I-62 | US9802960, Compound I-6...)
Show SMILES CC(=O)Nc1cc(ccn1)-c1cnc(C)c(NS(=O)(=O)c2ccccc2C(F)(F)F)c1
Show InChI InChI=1S/C20H17F3N4O3S/c1-12-17(27-31(29,30)18-6-4-3-5-16(18)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))
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))
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))
BDBM337965
PNG
(US9751854, Compound I-141 | US9802960, Compound I-...)
Show SMILES CNc1ncc(cc1N(CC1CC1)S(C)(=O)=O)-c1ccnc(NC(C)=O)c1
Show InChI InChI=1S/C18H23N5O3S/c1-12(24)22-17-9-14(6-7-20-17)15-8-16(18(19-2)21-10-15)23(27(3,25)26)11-13-4-5-13/h6-10,13H,4-5,11H2,1-3H3,(H,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))
BDBM337967
PNG
(US9751854, Compound I-143 | US9802960, Compound I-...)
Show SMILES CC(=O)Nc1cc(ccn1)-c1cnc(C)c(NS(=O)(=O)c2cc(ccc2F)C(F)(F)F)c1
Show InChI InChI=1S/C20H16F4N4O3S/c1-11-17(7-14(10-26-11)13-5-6-25-19(8-13)27-12(2)29)28-32(30,31)18-9-15(20(22,23)24)3-4-16(18)21/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))
BDBM337977
PNG
(US9751854, Compound I-153 | US9802960, Compound I-...)
Show SMILES CC(=O)Nc1cc(ccn1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2F)c1C
Show InChI InChI=1S/C19H15ClF2N4O3S/c1-10-14(12-5-6-23-17(7-12)25-11(2)27)9-24-19(20)18(10)26-30(28,29)16-4-3-13(21)8-15(16)22/h3-9,26H,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))
BDBM337987
PNG
(US9751854, Compound I-163 | US9802960, Compound I-...)
Show SMILES COc1ccc(c(F)c1)S(=O)(=O)Nc1cc(cnc1C)-c1ccnc(NC(C)=O)c1
Show InChI InChI=1S/C20H19FN4O4S/c1-12-18(25-30(27,28)19-5-4-16(29-3)10-17(19)21)8-15(11-23-12)14-6-7-22-20(9-14)24-13(2)26/h4-11,25H,1-3H3,(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))
BDBM337992
PNG
(US9751854, Compound I-168 | US9802960, Compound I-...)
Show SMILES CC(=O)Nc1cc(ccn1)-c1cnc(C)c(NS(=O)(=O)c2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C20H17F3N4O3S/c1-12-18(27-31(29,30)17-5-3-4-16(10-17)20(21,22)23)8-15(11-25-12)14-6-7-24-19(9-14)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))
BDBM337997
PNG
(US9751854, Compound I-173 | US9802960, Compound I-...)
Show SMILES CNc1ncc(cc1S(=O)(=O)N(C(C)C)C(C)C)-c1ccnc(NC(C)=O)c1
Show InChI InChI=1S/C19H27N5O3S/c1-12(2)24(13(3)4)28(26,27)17-9-16(11-22-19(17)20-6)15-7-8-21-18(10-15)23-14(5)25/h7-13H,1-6H3,(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))
BDBM338007
PNG
(US9751854, Compound I-183 | US9802960, Compound I-...)
Show SMILES CC(=O)Nc1cc(ccn1)-c1cnc(N)c(c1)S(=O)(=O)NCC1CCCCC1
Show InChI InChI=1S/C19H25N5O3S/c1-13(25)24-18-10-15(7-8-21-18)16-9-17(19(20)22-12-16)28(26,27)23-11-14-5-3-2-4-6-14/h7-10,12,14,23H,2-6,11H2,1H3,(H2,20,22)(H,21,24,25)
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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))
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))
BDBM338257
PNG
(US9751854, Compound I-441 | US9802960, Compound I-...)
Show SMILES Cc1ncc(cc1NS(=O)(=O)c1ccc(Cl)cc1F)-c1ccnc(NC(=O)C2CC2(F)F)c1
Show InChI InChI=1S/C21H16ClF3N4O3S/c1-11-17(29-33(31,32)18-3-2-14(22)8-16(18)23)6-13(10-27-11)12-4-5-26-19(7-12)28-20(30)15-9-21(15,24)25/h2-8,10,15,29H,9H2,1H3,(H,26,28,30)
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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))
BDBM338271
PNG
(US9751854, Compound I-456 | US9802960, Compound I-...)
Show SMILES CCOC(=O)Nc1cc(ccn1)-c1cnc(C)c(NS(=O)(=O)c2ccc(Cl)cc2F)c1
Show InChI InChI=1S/C20H18ClFN4O4S/c1-3-30-20(27)25-19-9-13(6-7-23-19)14-8-17(12(2)24-11-14)26-31(28,29)18-5-4-15(21)10-16(18)22/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))
BDBM337869
PNG
(US9751854, Compound I-52 | US9802960, Compound I-5...)
Show SMILES CC(=O)Nc1cc(ccn1)-c1cnc(C)c(NS(=O)(=O)c2cc(F)ccc2F)c1
Show InChI InChI=1S/C19H16F2N4O3S/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
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (Human))
BDBM337872
PNG
(US9751854, Compound I-55 | US9802960, Compound I-5...)
Show SMILES COC(=O)Nc1cc(ccn1)-c1cnc(N)c(c1)C(=O)N(C)C
Show InChI InChI=1S/C15H17N5O3/c1-20(2)14(21)11-6-10(8-18-13(11)16)9-4-5-17-12(7-9)19-15(22)23-3/h4-8H,1-3H3,(H2,16,18)(H,17,19,22)
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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))
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))
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))
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))
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))
BDBM337952
PNG
(US9751854, Compound I-128 | US9802960, Compound I-...)
Show SMILES CC(=O)Nc1cc(ccn1)-c1cnc(C)c(NS(=O)(=O)c2ccc(C)cc2Cl)c1
Show InChI InChI=1S/C20H19ClN4O3S/c1-12-4-5-19(17(21)8-12)29(27,28)25-18-9-16(11-23-13(18)2)15-6-7-22-20(10-15)24-14(3)26/h4-11,25H,1-3H3,(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))
BDBM337955
PNG
(US9751854, Compound I-131 | US9802960, Compound I-...)
Show SMILES CC(=O)Nc1cc(ccn1)-c1cnc(C)c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)c1
Show InChI InChI=1S/C23H26N4O3S/c1-15-21(27-31(29,30)20-8-6-19(7-9-20)23(3,4)5)12-18(14-25-15)17-10-11-24-22(13-17)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))
BDBM337966
PNG
(US9751854, Compound I-142 | US9802960, Compound I-...)
Show SMILES COc1cc(C)ccc1S(=O)(=O)Nc1cc(cnc1C)-c1ccnc(NC(C)=O)c1
Show InChI InChI=1S/C21H22N4O4S/c1-13-5-6-20(19(9-13)29-4)30(27,28)25-18-10-17(12-23-14(18)2)16-7-8-22-21(11-16)24-15(3)26/h5-12,25H,1-4H3,(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))
BDBM338006
PNG
(US9751854, Compound I-182 | US9802960, Compound I-...)
Show SMILES CC(=O)Nc1cc(ccn1)-c1cnc(C)c(NS(=O)(=O)c2ccc(C)cc2F)c1
Show InChI InChI=1S/C20H19FN4O3S/c1-12-4-5-19(17(21)8-12)29(27,28)25-18-9-16(11-23-13(18)2)15-6-7-22-20(10-15)24-14(3)26/h4-11,25H,1-3H3,(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))
BDBM352681
PNG
(US9802960, Compound I-259)
Show SMILES CCc1c(NS(=O)(=O)c2ccc(F)cc2F)c(C)ncc1-c1ccnc(Nc2ccnc(C)n2)c1
Show InChI InChI=1S/C24H22F2N6O2S/c1-4-18-19(16-7-9-28-23(11-16)31-22-8-10-27-15(3)30-22)13-29-14(2)24(18)32-35(33,34)21-6-5-17(25)12-20(21)26/h5-13,32H,4H2,1-3H3,(H,27,28,30,31)
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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))
BDBM338233
PNG
(US9751854, Compound I-417 | US9802960, Compound I-...)
Show SMILES COC(=O)Nc1cc(ccn1)-c1cnc(C)c(NS(=O)(=O)c2ccc(Cl)cc2F)c1
Show InChI InChI=1S/C19H16ClFN4O4S/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))
BDBM338244
PNG
(US9751854, Compound I-428 | US9802960, Compound I-...)
Show SMILES CN(C)S(=O)(=O)Oc1cc(cn2nccc12)-c1ccnc(NC(C)=O)c1
Show InChI InChI=1S/C16H17N5O4S/c1-11(22)19-16-9-12(4-6-17-16)13-8-15(25-26(23,24)20(2)3)14-5-7-18-21(14)10-13/h4-10H,1-3H3,(H,17,19,22)
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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))
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))
BDBM337949
PNG
(US9751854, Compound I-125 | US9802960, Compound I-...)
Show SMILES CC(=O)Nc1cc(ccn1)-c1cnc(N)c(c1)C(=O)N1Cc2ccccc2C1
Show InChI InChI=1S/C21H19N5O2/c1-13(27)25-19-9-14(6-7-23-19)17-8-18(20(22)24-10-17)21(28)26-11-15-4-2-3-5-16(15)12-26/h2-10H,11-12H2,1H3,(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))
BDBM337983
PNG
(US9751854, Compound I-159 | US9802960, Compound I-...)
Show SMILES COc1cc(F)c(cc1F)S(=O)(=O)Nc1cc(cnc1C)-c1ccnc(NC(C)=O)c1
Show InChI InChI=1S/C20H18F2N4O4S/c1-11-17(26-31(28,29)19-9-15(21)18(30-3)8-16(19)22)6-14(10-24-11)13-4-5-23-20(7-13)25-12(2)27/h4-10,26H,1-3H3,(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))
BDBM337985
PNG
(US9751854, Compound I-161 | US9802960, Compound I-...)
Show SMILES CC(=O)Nc1cc(c(F)cn1)-c1cnc(C)c(NS(=O)(=O)c2ccc(F)cc2F)c1
Show InChI InChI=1S/C19H15F3N4O3S/c1-10-17(26-30(28,29)18-4-3-13(20)6-15(18)21)5-12(8-23-10)14-7-19(25-11(2)27)24-9-16(14)22/h3-9,26H,1-2H3,(H,24,25,27)
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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))
BDBM337994
PNG
(US9751854, Compound I-170 | US9802960, Compound I-...)
Show SMILES CC(=O)Nc1cc(ccn1)-c1cnc(N)c(c1)S(=O)(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C18H15F2N5O3S/c1-10(26)24-17-7-11(4-5-22-17)12-6-16(18(21)23-9-12)29(27,28)25-15-3-2-13(19)8-14(15)20/h2-9,25H,1H3,(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))
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))
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
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* indicates data uncertainty>20%