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Compile Data Set for Download or QSAR

Found 1412 hits with Last Name = 'bharathan' and Initial = 'it'   
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
Cannabinoid receptor 2


(MOUSE)
BDBM60536
PNG
(BDBM50399283 | US9102622, 13.2)
Show SMILES FS(=O)(=O)CCCCCCCc1cccc(OCc2ccccc2)c1
Show InChI InChI=1S/C20H25FO3S/c21-25(22,23)15-8-3-1-2-5-10-18-13-9-14-20(16-18)24-17-19-11-6-4-7-12-19/h4,6-7,9,11-14,16H,1-3,5,8,10,15,17H2
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99n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from mouse CB2 receptor expressed in HEK293 cells


J Med Chem 55: 10074-89 (2012)


Article DOI: 10.1021/jm301205j
BindingDB Entry DOI: 10.7270/Q2J967HK
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50399279
PNG
(CHEMBL2180822)
Show SMILES FS(=O)(=O)CCCCOc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C17H19FO4S/c18-23(19,20)13-5-4-12-21-16-8-10-17(11-9-16)22-14-15-6-2-1-3-7-15/h1-3,6-11H,4-5,12-14H2
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104n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from CB1 receptor in rat brain homogenates


J Med Chem 55: 10074-89 (2012)


Article DOI: 10.1021/jm301205j
BindingDB Entry DOI: 10.7270/Q2J967HK
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50399282
PNG
(CHEMBL2180817 | US9102622, 13.4)
Show SMILES FS(=O)(=O)CCCCCc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C18H21FO3S/c19-23(20,21)14-6-2-5-7-16-10-12-18(13-11-16)22-15-17-8-3-1-4-9-17/h1,3-4,8-13H,2,5-7,14-15H2
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118n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from CB1 receptor in rat brain homogenates


J Med Chem 55: 10074-89 (2012)


Article DOI: 10.1021/jm301205j
BindingDB Entry DOI: 10.7270/Q2J967HK
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50399281
PNG
(CHEMBL2180818 | US9102622, 14.1)
Show SMILES Oc1ccc(CCCCCCCS(F)(=O)=O)cc1
Show InChI InChI=1S/C13H19FO3S/c14-18(16,17)11-5-3-1-2-4-6-12-7-9-13(15)10-8-12/h7-10,15H,1-6,11H2
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163n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from CB1 receptor in rat brain homogenates


J Med Chem 55: 10074-89 (2012)


Article DOI: 10.1021/jm301205j
BindingDB Entry DOI: 10.7270/Q2J967HK
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50399280
PNG
(CHEMBL2180821 | US9102622, 14.4)
Show SMILES Oc1ccc(CCCCCS(F)(=O)=O)cc1
Show InChI InChI=1S/C11H15FO3S/c12-16(14,15)9-3-1-2-4-10-5-7-11(13)8-6-10/h5-8,13H,1-4,9H2
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192n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from CB1 receptor in rat brain homogenates


J Med Chem 55: 10074-89 (2012)


Article DOI: 10.1021/jm301205j
BindingDB Entry DOI: 10.7270/Q2J967HK
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50399282
PNG
(CHEMBL2180817 | US9102622, 13.4)
Show SMILES FS(=O)(=O)CCCCCc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C18H21FO3S/c19-23(20,21)14-6-2-5-7-16-10-12-18(13-11-16)22-15-17-8-3-1-4-9-17/h1,3-4,8-13H,2,5-7,14-15H2
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194n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from mouse CB2 receptor expressed in HEK293 cells


J Med Chem 55: 10074-89 (2012)


Article DOI: 10.1021/jm301205j
BindingDB Entry DOI: 10.7270/Q2J967HK
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50399279
PNG
(CHEMBL2180822)
Show SMILES FS(=O)(=O)CCCCOc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C17H19FO4S/c18-23(19,20)13-5-4-12-21-16-8-10-17(11-9-16)22-14-15-6-2-1-3-7-15/h1-3,6-11H,4-5,12-14H2
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203n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from mouse CB2 receptor expressed in HEK293 cells


J Med Chem 55: 10074-89 (2012)


Article DOI: 10.1021/jm301205j
BindingDB Entry DOI: 10.7270/Q2J967HK
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM60536
PNG
(BDBM50399283 | US9102622, 13.2)
Show SMILES FS(=O)(=O)CCCCCCCc1cccc(OCc2ccccc2)c1
Show InChI InChI=1S/C20H25FO3S/c21-25(22,23)15-8-3-1-2-5-10-18-13-9-14-20(16-18)24-17-19-11-6-4-7-12-19/h4,6-7,9,11-14,16H,1-3,5,8,10,15,17H2
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335n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from CB1 receptor in rat brain homogenates


J Med Chem 55: 10074-89 (2012)


Article DOI: 10.1021/jm301205j
BindingDB Entry DOI: 10.7270/Q2J967HK
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50399280
PNG
(CHEMBL2180821 | US9102622, 14.4)
Show SMILES Oc1ccc(CCCCCS(F)(=O)=O)cc1
Show InChI InChI=1S/C11H15FO3S/c12-16(14,15)9-3-1-2-4-10-5-7-11(13)8-6-10/h5-8,13H,1-4,9H2
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577n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from mouse CB2 receptor expressed in HEK293 cells


J Med Chem 55: 10074-89 (2012)


Article DOI: 10.1021/jm301205j
BindingDB Entry DOI: 10.7270/Q2J967HK
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50399281
PNG
(CHEMBL2180818 | US9102622, 14.1)
Show SMILES Oc1ccc(CCCCCCCS(F)(=O)=O)cc1
Show InChI InChI=1S/C13H19FO3S/c14-18(16,17)11-5-3-1-2-4-6-12-7-9-13(15)10-8-12/h7-10,15H,1-6,11H2
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698n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from mouse CB2 receptor expressed in HEK293 cells


J Med Chem 55: 10074-89 (2012)


Article DOI: 10.1021/jm301205j
BindingDB Entry DOI: 10.7270/Q2J967HK
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (Human))
BDBM337968
PNG
(US9751854, Compound I-144 | US9802960, Compound I-...)
Show SMILES CC(=O)Nc1cc(ccn1)-c1cnc(C)c(NS(=O)(=O)c2ccccc2F)c1
Show InChI InChI=1S/C19H17FN4O3S/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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n/an/a<10n/an/an/an/an/an/a



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))
BDBM337971
PNG
(US9751854, Compound I-147 | US9802960, Compound I-...)
Show SMILES CNc1ncc(cc1N(C)S(C)(=O)=O)-c1ccnc(NC(C)=O)c1
Show InChI InChI=1S/C15H19N5O3S/c1-10(21)19-14-8-11(5-6-17-14)12-7-13(15(16-2)18-9-12)20(3)24(4,22)23/h5-9H,1-4H3,(H,16,18)(H,17,19,21)
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n/an/a<10n/an/an/an/an/an/a



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))
BDBM337974
PNG
(US9751854, Compound I-150 | US9802960, Compound I-...)
Show SMILES CC(=O)Nc1cc(ccn1)-c1cnc(C)c(NS(=O)(=O)c2c(F)cccc2F)c1
Show InChI InChI=1S/C19H16F2N4O3S/c1-11-17(25-29(27,28)19-15(20)4-3-5-16(19)21)8-14(10-23-11)13-6-7-22-18(9-13)24-12(2)26/h3-10,25H,1-2H3,(H,22,24,26)
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n/an/a<10n/an/an/an/an/an/a



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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n/an/a<10n/an/an/an/an/an/a



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))
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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n/an/a<10n/an/an/an/an/an/a



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))
BDBM337979
PNG
(US9751854, Compound I-155 | US9802960, Compound I-...)
Show SMILES CC(=O)Nc1cc(ccn1)-c1cnc(C)c(NS(=O)(=O)c2cccc(F)c2)c1
Show InChI InChI=1S/C19H17FN4O3S/c1-12-18(24-28(26,27)17-5-3-4-16(20)10-17)8-15(11-22-12)14-6-7-21-19(9-14)23-13(2)25/h3-11,24H,1-2H3,(H,21,23,25)
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n/an/a<10n/an/an/an/an/an/a



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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n/an/a<10n/an/an/an/an/an/a



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))
BDBM337982
PNG
(US9751854, Compound I-158 | US9802960, Compound I-...)
Show SMILES CC(=O)Nc1cc(ccn1)-c1cnc2[nH]cc(c2c1)S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C18H19N5O3S/c1-12(24)22-17-9-13(4-5-19-17)14-8-15-16(11-21-18(15)20-10-14)27(25,26)23-6-2-3-7-23/h4-5,8-11H,2-3,6-7H2,1H3,(H,20,21)(H,19,22,24)
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n/an/a<10n/an/an/an/an/an/a



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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n/an/a<10n/an/an/an/an/an/a



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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n/an/a<10n/an/an/an/an/an/a



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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n/an/a<10n/an/an/an/an/an/a



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))
BDBM337988
PNG
(US9751854, Compound I-164 | US9802960, Compound I-...)
Show SMILES CC(=O)Nc1cc(ccn1)-c1cnc(F)c(NS(=O)(=O)c2ccc(F)cc2F)c1
Show InChI InChI=1S/C18H13F3N4O3S/c1-10(26)24-17-7-11(4-5-22-17)12-6-15(18(21)23-9-12)25-29(27,28)16-3-2-13(19)8-14(16)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))
BDBM337989
PNG
(US9751854, Compound I-165 | US9802960, Compound I-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1C)-c1ccnc(NC(C)=O)c1
Show InChI InChI=1S/C20H20N4O4S/c1-13-19(24-29(26,27)18-6-4-17(28-3)5-7-18)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))
BDBM337990
PNG
(US9751854, Compound I-166 | US9802960, Compound I-...)
Show SMILES CN(C)S(=O)(=O)c1cc(cnc1N)-c1ccnc(Nc2ncco2)c1
Show InChI InChI=1S/C15H16N6O3S/c1-21(2)25(22,23)12-7-11(9-19-14(12)16)10-3-4-17-13(8-10)20-15-18-5-6-24-15/h3-9H,1-2H3,(H2,16,19)(H,17,18,20)
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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))
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))
BDBM352593
PNG
(US9802960, Compound I-171)
Show SMILES COC(=O)Nc1cc(ccn1)-c1cnc(C)c(c1)S(=O)(=O)N(C)C
Show InChI InChI=1S/C15H18N4O4S/c1-10-13(24(21,22)19(2)3)7-12(9-17-10)11-5-6-16-14(8-11)18-15(20)23-4/h5-9H,1-4H3,(H,16,18,20)
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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))
BDBM337998
PNG
(US9751854, Compound I-174 | US9802960, Compound I-...)
Show SMILES CN(C)c1ncc(cc1C(=O)N(C)c1ccc(F)cc1F)-c1ccnc(NC(C)=O)c1
Show InChI InChI=1S/C22H21F2N5O2/c1-13(30)27-20-10-14(7-8-25-20)15-9-17(21(26-12-15)28(2)3)22(31)29(4)19-6-5-16(23)11-18(19)24/h5-12H,1-4H3,(H,25,27,30)
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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))
BDBM338002
PNG
(US9751854, Compound I-178 | US9802960, Compound I-...)
Show SMILES CC(=O)Nc1cc(ccn1)-c1cnc(C)c(NS(=O)(=O)c2cc(C)ccc2C)c1
Show InChI InChI=1S/C21H22N4O3S/c1-13-5-6-14(2)20(9-13)29(27,28)25-19-10-18(12-23-15(19)3)17-7-8-22-21(11-17)24-16(4)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))
BDBM338003
PNG
(US9751854, Compound I-179 | US9802960, Compound I-...)
Show SMILES CC(=O)Nc1cc(ccn1)-c1cnc(N)c(c1)C(=O)Nc1cccc(F)c1F
Show InChI InChI=1S/C19H15F2N5O2/c1-10(27)25-16-8-11(5-6-23-16)12-7-13(18(22)24-9-12)19(28)26-15-4-2-3-14(20)17(15)21/h2-9H,1H3,(H2,22,24)(H,26,28)(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))
BDBM338005
PNG
(US9751854, Compound I-181 | US9802960, Compound I-...)
Show SMILES CC(=O)Nc1cc(ccn1)-c1cnc(N)c(c1)N1CCCS1(=O)=O
Show InChI InChI=1S/C15H17N5O3S/c1-10(21)19-14-8-11(3-4-17-14)12-7-13(15(16)18-9-12)20-5-2-6-24(20,22)23/h3-4,7-9H,2,5-6H2,1H3,(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))
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))
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))
BDBM338009
PNG
(US9751854, Compound I-185 | US9802960, Compound I-...)
Show SMILES CC(=O)Nc1cc(ccn1)-c1cnc(C)c(NS(=O)(=O)c2ccc(F)cc2)c1
Show InChI InChI=1S/C19H17FN4O3S/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))
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)
PDB
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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
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