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Patent code US9284315

Compile Data Set for Download or QSAR
Found 32 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
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM185147
PNG
((Z)-but-2-enedioic acid;8-(6-methoxypyridin-3-yl)-...)
Show SMILES COc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(-c4ccc(N5CCNCC5)c(c4)C(F)(F)F)c3c2c1
Show InChI InChI=1S/C28H25F3N6O2/c1-35-24-16-33-22-6-3-17(18-4-8-25(39-2)34-15-18)13-20(22)26(24)37(27(35)38)19-5-7-23(21(14-19)28(29,30)31)36-11-9-32-10-12-36/h3-8,13-16,32H,9-12H2,1-2H3
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n/an/a 1.99n/an/an/an/a7.525



ZUANZHU PHARMA CO., LTD.

US Patent


Assay Description
1. Preparation of test reagents {circle around (1)} 1x kinase buffer (50 mM HEPES, pH 7.5, 10 mM MgCl2, 1 mM EGTA, 3 mM MnCl, 0.01% Tween-20, 2 mM DT...


US Patent US9284315 (2016)


BindingDB Entry DOI: 10.7270/Q2NC6011
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM92862
PNG
(US9284315, BEZ-235 | mTOR Inhibitor, BEZ235)
Show SMILES Cn1c2cnc3ccc(cc3c2n(-c2ccc(cc2)C(C)(C)C#N)c1=O)-c1cnc2ccccc2c1
Show InChI InChI=1S/C30H23N5O/c1-30(2,18-31)22-9-11-23(12-10-22)35-28-24-15-19(21-14-20-6-4-5-7-25(20)32-16-21)8-13-26(24)33-17-27(28)34(3)29(35)36/h4-17H,1-3H3
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n/an/a 3.23n/an/an/an/a7.525



ZUANZHU PHARMA CO., LTD.

US Patent


Assay Description
1. Preparation of test reagents {circle around (1)} 1x kinase buffer (50 mM HEPES, pH 7.5, 10 mM MgCl2, 1 mM EGTA, 3 mM MnCl, 0.01% Tween-20, 2 mM DT...


US Patent US9284315 (2016)


BindingDB Entry DOI: 10.7270/Q2NC6011
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM213783
PNG
(US9284315, 14)
Show SMILES CN1Cc2cnc3ccc(nc3c2N(C1=O)c1cccc(c1)C(F)(F)F)-c1cnc(N)nc1
Show InChI InChI=1S/C22H16F3N7O/c1-31-11-13-10-27-17-6-5-16(12-8-28-20(26)29-9-12)30-18(17)19(13)32(21(31)33)15-4-2-3-14(7-15)22(23,24)25/h2-10H,11H2,1H3,(H2,26,28,29)
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n/an/a 3.30n/an/an/an/a7.525



ZUANZHU PHARMA CO., LTD.

US Patent


Assay Description
1. Preparation of test reagents{circle around (1)} 1x kinase buffer (50 mM HEPES, pH 7.5, 3 mM MgCl2, 1 mM EGTA, 100 mM NaCl, 0.03% CHAPS, 2 mM DTT);...


US Patent US9284315 (2016)


BindingDB Entry DOI: 10.7270/Q2NC6011
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM213783
PNG
(US9284315, 14)
Show SMILES CN1Cc2cnc3ccc(nc3c2N(C1=O)c1cccc(c1)C(F)(F)F)-c1cnc(N)nc1
Show InChI InChI=1S/C22H16F3N7O/c1-31-11-13-10-27-17-6-5-16(12-8-28-20(26)29-9-12)30-18(17)19(13)32(21(31)33)15-4-2-3-14(7-15)22(23,24)25/h2-10H,11H2,1H3,(H2,26,28,29)
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n/an/a 8.5n/an/an/an/a7.525



ZUANZHU PHARMA CO., LTD.

US Patent


Assay Description
1. Preparation of test reagents {circle around (1)} 1x kinase buffer (50 mM HEPES, pH 7.5, 10 mM MgCl2, 1 mM EGTA, 3 mM MnCl, 0.01% Tween-20, 2 mM DT...


US Patent US9284315 (2016)


BindingDB Entry DOI: 10.7270/Q2NC6011
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM213786
PNG
(US9284315, 58)
Show SMILES COc1ccc(cn1)-c1ccc2ncc3CN(C)C(=O)N(c4ccc(N5CCNCC5)c(c4)C(F)(F)F)c3c2n1
Show InChI InChI=1S/C28H26F3N7O2/c1-36-16-18-15-33-22-6-5-21(17-3-8-24(40-2)34-14-17)35-25(22)26(18)38(27(36)39)19-4-7-23(20(13-19)28(29,30)31)37-11-9-32-10-12-37/h3-8,13-15,32H,9-12,16H2,1-2H3
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n/an/a 8.60n/an/an/an/a7.525



ZUANZHU PHARMA CO., LTD.

US Patent


Assay Description
1. Preparation of test reagents{circle around (1)} 1x kinase buffer (50 mM HEPES, pH 7.5, 3 mM MgCl2, 1 mM EGTA, 100 mM NaCl, 0.03% CHAPS, 2 mM DTT);...


US Patent US9284315 (2016)


BindingDB Entry DOI: 10.7270/Q2NC6011
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM213776
PNG
(US9284315, 3)
Show SMILES CN1Cc2cnc3ccc(nc3c2N(C1=O)c1cccc(c1)C(F)(F)F)-c1ccc(N)nc1
Show InChI InChI=1S/C23H17F3N6O/c1-31-12-14-11-28-18-7-6-17(13-5-8-19(27)29-10-13)30-20(18)21(14)32(22(31)33)16-4-2-3-15(9-16)23(24,25)26/h2-11H,12H2,1H3,(H2,27,29)
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n/an/a 8.86n/an/an/an/a7.525



ZUANZHU PHARMA CO., LTD.

US Patent


Assay Description
1. Preparation of test reagents {circle around (1)} 1x kinase buffer (50 mM HEPES, pH 7.5, 10 mM MgCl2, 1 mM EGTA, 3 mM MnCl, 0.01% Tween-20, 2 mM DT...


US Patent US9284315 (2016)


BindingDB Entry DOI: 10.7270/Q2NC6011
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM213787
PNG
(US9284315, 86)
Show SMILES COc1ccc(cn1)-c1ccc2ncc3CN(C)C(=O)N(C4CCN(CC4)C(=O)[C@@H](C)O)c3c2n1 |r|
Show InChI InChI=1S/C25H28N6O4/c1-15(32)24(33)30-10-8-18(9-11-30)31-23-17(14-29(2)25(31)34)13-26-20-6-5-19(28-22(20)23)16-4-7-21(35-3)27-12-16/h4-7,12-13,15,18,32H,8-11,14H2,1-3H3/t15-/m1/s1
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n/an/a 9.70n/an/an/an/a7.525



ZUANZHU PHARMA CO., LTD.

US Patent


Assay Description
1. Preparation of test reagents{circle around (1)} 1x kinase buffer (50 mM HEPES, pH 7.5, 3 mM MgCl2, 1 mM EGTA, 100 mM NaCl, 0.03% CHAPS, 2 mM DTT);...


US Patent US9284315 (2016)


BindingDB Entry DOI: 10.7270/Q2NC6011
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM213784
PNG
(US9284315, 22)
Show SMILES CN1Cc2cnc3ccc(nc3c2N(C1=O)c1cccc(c1)C(F)(F)F)-c1cnc2[nH]ccc2c1
Show InChI InChI=1S/C25H17F3N6O/c1-33-13-16-12-30-20-6-5-19(15-9-14-7-8-29-23(14)31-11-15)32-21(20)22(16)34(24(33)35)18-4-2-3-17(10-18)25(26,27)28/h2-12H,13H2,1H3,(H,29,31)
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n/an/a 10.2n/an/an/an/a7.525



ZUANZHU PHARMA CO., LTD.

US Patent


Assay Description
1. Preparation of test reagents{circle around (1)} 1x kinase buffer (50 mM HEPES, pH 7.5, 3 mM MgCl2, 1 mM EGTA, 100 mM NaCl, 0.03% CHAPS, 2 mM DTT);...


US Patent US9284315 (2016)


BindingDB Entry DOI: 10.7270/Q2NC6011
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM213776
PNG
(US9284315, 3)
Show SMILES CN1Cc2cnc3ccc(nc3c2N(C1=O)c1cccc(c1)C(F)(F)F)-c1ccc(N)nc1
Show InChI InChI=1S/C23H17F3N6O/c1-31-12-14-11-28-18-7-6-17(13-5-8-19(27)29-10-13)30-20(18)21(14)32(22(31)33)16-4-2-3-15(9-16)23(24,25)26/h2-11H,12H2,1H3,(H2,27,29)
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n/an/a 10.4n/an/an/an/a7.525



ZUANZHU PHARMA CO., LTD.

US Patent


Assay Description
1. Preparation of test reagents{circle around (1)} 1x kinase buffer (50 mM HEPES, pH 7.5, 3 mM MgCl2, 1 mM EGTA, 100 mM NaCl, 0.03% CHAPS, 2 mM DTT);...


US Patent US9284315 (2016)


BindingDB Entry DOI: 10.7270/Q2NC6011
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM213784
PNG
(US9284315, 22)
Show SMILES CN1Cc2cnc3ccc(nc3c2N(C1=O)c1cccc(c1)C(F)(F)F)-c1cnc2[nH]ccc2c1
Show InChI InChI=1S/C25H17F3N6O/c1-33-13-16-12-30-20-6-5-19(15-9-14-7-8-29-23(14)31-11-15)32-21(20)22(16)34(24(33)35)18-4-2-3-17(10-18)25(26,27)28/h2-12H,13H2,1H3,(H,29,31)
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n/an/a 17.5n/an/an/an/a7.525



ZUANZHU PHARMA CO., LTD.

US Patent


Assay Description
1. Preparation of test reagents {circle around (1)} 1x kinase buffer (50 mM HEPES, pH 7.5, 10 mM MgCl2, 1 mM EGTA, 3 mM MnCl, 0.01% Tween-20, 2 mM DT...


US Patent US9284315 (2016)


BindingDB Entry DOI: 10.7270/Q2NC6011
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM213782
PNG
(US9284315, 13)
Show SMILES COc1ncc(cn1)-c1ccc2ncc3CN(C)C(=O)N(c4cccc(c4)C(F)(F)F)c3c2n1
Show InChI InChI=1S/C23H17F3N6O2/c1-31-12-14-11-27-18-7-6-17(13-9-28-21(34-2)29-10-13)30-19(18)20(14)32(22(31)33)16-5-3-4-15(8-16)23(24,25)26/h3-11H,12H2,1-2H3
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n/an/a 21n/an/an/an/a7.525



ZUANZHU PHARMA CO., LTD.

US Patent


Assay Description
1. Preparation of test reagents{circle around (1)} 1x kinase buffer (50 mM HEPES, pH 7.5, 3 mM MgCl2, 1 mM EGTA, 100 mM NaCl, 0.03% CHAPS, 2 mM DTT);...


US Patent US9284315 (2016)


BindingDB Entry DOI: 10.7270/Q2NC6011
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM213777
PNG
(US9284315, 6)
Show SMILES CN1Cc2cnc3ccc(nc3c2N(C1=O)c1cccc(c1)C(F)(F)F)-c1ccc(nc1)[N+]#[C-]
Show InChI InChI=1S/C24H15F3N6O/c1-28-20-9-6-14(11-30-20)18-7-8-19-21(31-18)22-15(12-29-19)13-32(2)23(34)33(22)17-5-3-4-16(10-17)24(25,26)27/h3-12H,13H2,2H3
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n/an/a 24n/an/an/an/a7.525



ZUANZHU PHARMA CO., LTD.

US Patent


Assay Description
1. Preparation of test reagents {circle around (1)} 1x kinase buffer (50 mM HEPES, pH 7.5, 10 mM MgCl2, 1 mM EGTA, 3 mM MnCl, 0.01% Tween-20, 2 mM DT...


US Patent US9284315 (2016)


BindingDB Entry DOI: 10.7270/Q2NC6011
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM213778
PNG
(US9284315, 7)
Show SMILES CN1Cc2cnc3ccc(nc3c2N(C1=O)c1cccc(c1)C(F)(F)F)-c1ccc(NC(C)=O)nc1
Show InChI InChI=1S/C25H19F3N6O2/c1-14(35)31-21-9-6-15(11-30-21)19-7-8-20-22(32-19)23-16(12-29-20)13-33(2)24(36)34(23)18-5-3-4-17(10-18)25(26,27)28/h3-12H,13H2,1-2H3,(H,30,31,35)
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n/an/a 29.3n/an/an/an/a7.525



ZUANZHU PHARMA CO., LTD.

US Patent


Assay Description
1. Preparation of test reagents{circle around (1)} 1x kinase buffer (50 mM HEPES, pH 7.5, 3 mM MgCl2, 1 mM EGTA, 100 mM NaCl, 0.03% CHAPS, 2 mM DTT);...


US Patent US9284315 (2016)


BindingDB Entry DOI: 10.7270/Q2NC6011
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM213782
PNG
(US9284315, 13)
Show SMILES COc1ncc(cn1)-c1ccc2ncc3CN(C)C(=O)N(c4cccc(c4)C(F)(F)F)c3c2n1
Show InChI InChI=1S/C23H17F3N6O2/c1-31-12-14-11-27-18-7-6-17(13-9-28-21(34-2)29-10-13)30-19(18)20(14)32(22(31)33)16-5-3-4-15(8-16)23(24,25)26/h3-11H,12H2,1-2H3
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n/an/a 30.3n/an/an/an/a7.525



ZUANZHU PHARMA CO., LTD.

US Patent


Assay Description
1. Preparation of test reagents {circle around (1)} 1x kinase buffer (50 mM HEPES, pH 7.5, 10 mM MgCl2, 1 mM EGTA, 3 mM MnCl, 0.01% Tween-20, 2 mM DT...


US Patent US9284315 (2016)


BindingDB Entry DOI: 10.7270/Q2NC6011
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM213781
PNG
(US9284315, 11)
Show SMILES CN1CCN(CC1)c1ccc(cn1)-c1ccc2ncc3CN(C)C(=O)N(c4cccc(c4)C(F)(F)F)c3c2n1
Show InChI InChI=1S/C28H26F3N7O/c1-35-10-12-37(13-11-35)24-9-6-18(15-33-24)22-7-8-23-25(34-22)26-19(16-32-23)17-36(2)27(39)38(26)21-5-3-4-20(14-21)28(29,30)31/h3-9,14-16H,10-13,17H2,1-2H3
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n/an/a 31.2n/an/an/an/a7.525



ZUANZHU PHARMA CO., LTD.

US Patent


Assay Description
1. Preparation of test reagents {circle around (1)} 1x kinase buffer (50 mM HEPES, pH 7.5, 10 mM MgCl2, 1 mM EGTA, 3 mM MnCl, 0.01% Tween-20, 2 mM DT...


US Patent US9284315 (2016)


BindingDB Entry DOI: 10.7270/Q2NC6011
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM92862
PNG
(US9284315, BEZ-235 | mTOR Inhibitor, BEZ235)
Show SMILES Cn1c2cnc3ccc(cc3c2n(-c2ccc(cc2)C(C)(C)C#N)c1=O)-c1cnc2ccccc2c1
Show InChI InChI=1S/C30H23N5O/c1-30(2,18-31)22-9-11-23(12-10-22)35-28-24-15-19(21-14-20-6-4-5-7-25(20)32-16-21)8-13-26(24)33-17-27(28)34(3)29(35)36/h4-17H,1-3H3
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n/an/a 32.5n/an/an/an/a7.525



ZUANZHU PHARMA CO., LTD.

US Patent


Assay Description
1. Preparation of test reagents{circle around (1)} 1x kinase buffer (50 mM HEPES, pH 7.5, 3 mM MgCl2, 1 mM EGTA, 100 mM NaCl, 0.03% CHAPS, 2 mM DTT);...


US Patent US9284315 (2016)


BindingDB Entry DOI: 10.7270/Q2NC6011
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM213777
PNG
(US9284315, 6)
Show SMILES CN1Cc2cnc3ccc(nc3c2N(C1=O)c1cccc(c1)C(F)(F)F)-c1ccc(nc1)[N+]#[C-]
Show InChI InChI=1S/C24H15F3N6O/c1-28-20-9-6-14(11-30-20)18-7-8-19-21(31-18)22-15(12-29-19)13-32(2)23(34)33(22)17-5-3-4-16(10-17)24(25,26)27/h3-12H,13H2,2H3
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n/an/a 33.8n/an/an/an/a7.525



ZUANZHU PHARMA CO., LTD.

US Patent


Assay Description
1. Preparation of test reagents{circle around (1)} 1x kinase buffer (50 mM HEPES, pH 7.5, 3 mM MgCl2, 1 mM EGTA, 100 mM NaCl, 0.03% CHAPS, 2 mM DTT);...


US Patent US9284315 (2016)


BindingDB Entry DOI: 10.7270/Q2NC6011
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM213778
PNG
(US9284315, 7)
Show SMILES CN1Cc2cnc3ccc(nc3c2N(C1=O)c1cccc(c1)C(F)(F)F)-c1ccc(NC(C)=O)nc1
Show InChI InChI=1S/C25H19F3N6O2/c1-14(35)31-21-9-6-15(11-30-21)19-7-8-20-22(32-19)23-16(12-29-20)13-33(2)24(36)34(23)18-5-3-4-17(10-18)25(26,27)28/h3-12H,13H2,1-2H3,(H,30,31,35)
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n/an/a 38.7n/an/an/an/a7.525



ZUANZHU PHARMA CO., LTD.

US Patent


Assay Description
1. Preparation of test reagents {circle around (1)} 1x kinase buffer (50 mM HEPES, pH 7.5, 10 mM MgCl2, 1 mM EGTA, 3 mM MnCl, 0.01% Tween-20, 2 mM DT...


US Patent US9284315 (2016)


BindingDB Entry DOI: 10.7270/Q2NC6011
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM185147
PNG
((Z)-but-2-enedioic acid;8-(6-methoxypyridin-3-yl)-...)
Show SMILES COc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(-c4ccc(N5CCNCC5)c(c4)C(F)(F)F)c3c2c1
Show InChI InChI=1S/C28H25F3N6O2/c1-35-24-16-33-22-6-3-17(18-4-8-25(39-2)34-15-18)13-20(22)26(24)37(27(35)38)19-5-7-23(21(14-19)28(29,30)31)36-11-9-32-10-12-36/h3-8,13-16,32H,9-12H2,1-2H3
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n/an/a 41.9n/an/an/an/a7.525



ZUANZHU PHARMA CO., LTD.

US Patent


Assay Description
1. Preparation of test reagents{circle around (1)} 1x kinase buffer (50 mM HEPES, pH 7.5, 3 mM MgCl2, 1 mM EGTA, 100 mM NaCl, 0.03% CHAPS, 2 mM DTT);...


US Patent US9284315 (2016)


BindingDB Entry DOI: 10.7270/Q2NC6011
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM213780
PNG
(US9284315, 9)
Show SMILES CN1Cc2cnc3ccc(nc3c2N(C1=O)c1cccc(c1)C(F)(F)F)-c1ccc(nc1)-n1cccn1
Show InChI InChI=1S/C26H18F3N7O/c1-34-15-17-14-30-21-8-7-20(16-6-9-22(31-13-16)35-11-3-10-32-35)33-23(21)24(17)36(25(34)37)19-5-2-4-18(12-19)26(27,28)29/h2-14H,15H2,1H3
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n/an/a 43.7n/an/an/an/a7.525



ZUANZHU PHARMA CO., LTD.

US Patent


Assay Description
1. Preparation of test reagents {circle around (1)} 1x kinase buffer (50 mM HEPES, pH 7.5, 10 mM MgCl2, 1 mM EGTA, 3 mM MnCl, 0.01% Tween-20, 2 mM DT...


US Patent US9284315 (2016)


BindingDB Entry DOI: 10.7270/Q2NC6011
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM213775
PNG
(US9284315, 2)
Show SMILES COc1ccc(cn1)-c1ccc2ncc3CN(C)C(=O)N(c4cccc(c4)C(F)(F)F)c3c2n1
Show InChI InChI=1S/C24H18F3N5O2/c1-31-13-15-12-28-19-8-7-18(14-6-9-20(34-2)29-11-14)30-21(19)22(15)32(23(31)33)17-5-3-4-16(10-17)24(25,26)27/h3-12H,13H2,1-2H3
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n/an/a 54.3n/an/an/an/a7.525



ZUANZHU PHARMA CO., LTD.

US Patent


Assay Description
1. Preparation of test reagents {circle around (1)} 1x kinase buffer (50 mM HEPES, pH 7.5, 10 mM MgCl2, 1 mM EGTA, 3 mM MnCl, 0.01% Tween-20, 2 mM DT...


US Patent US9284315 (2016)


BindingDB Entry DOI: 10.7270/Q2NC6011
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM213785
PNG
(US9284315, 52)
Show SMILES CN1Cc2cnc3ccc(nc3c2N(C1=O)c1ccc(cc1)C(C)(C)C#N)-c1cnc2ccccc2c1
Show InChI InChI=1S/C30H24N6O/c1-30(2,18-31)22-8-10-23(11-9-22)36-28-21(17-35(3)29(36)37)16-33-26-13-12-25(34-27(26)28)20-14-19-6-4-5-7-24(19)32-15-20/h4-16H,17H2,1-3H3
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n/an/a 66.5n/an/an/an/a7.525



ZUANZHU PHARMA CO., LTD.

US Patent


Assay Description
1. Preparation of test reagents {circle around (1)} 1x kinase buffer (50 mM HEPES, pH 7.5, 10 mM MgCl2, 1 mM EGTA, 3 mM MnCl, 0.01% Tween-20, 2 mM DT...


US Patent US9284315 (2016)


BindingDB Entry DOI: 10.7270/Q2NC6011
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM213779
PNG
(US9284315, 8)
Show SMILES CSc1ccc(cn1)-c1ccc2ncc3CN(C)C(=O)N(c4cccc(c4)C(F)(F)F)c3c2n1
Show InChI InChI=1S/C24H18F3N5OS/c1-31-13-15-12-28-19-8-7-18(14-6-9-20(34-2)29-11-14)30-21(19)22(15)32(23(31)33)17-5-3-4-16(10-17)24(25,26)27/h3-12H,13H2,1-2H3
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n/an/a 76.5n/an/an/an/a7.525



ZUANZHU PHARMA CO., LTD.

US Patent


Assay Description
1. Preparation of test reagents {circle around (1)} 1x kinase buffer (50 mM HEPES, pH 7.5, 10 mM MgCl2, 1 mM EGTA, 3 mM MnCl, 0.01% Tween-20, 2 mM DT...


US Patent US9284315 (2016)


BindingDB Entry DOI: 10.7270/Q2NC6011
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM213775
PNG
(US9284315, 2)
Show SMILES COc1ccc(cn1)-c1ccc2ncc3CN(C)C(=O)N(c4cccc(c4)C(F)(F)F)c3c2n1
Show InChI InChI=1S/C24H18F3N5O2/c1-31-13-15-12-28-19-8-7-18(14-6-9-20(34-2)29-11-14)30-21(19)22(15)32(23(31)33)17-5-3-4-16(10-17)24(25,26)27/h3-12H,13H2,1-2H3
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n/an/a 88.4n/an/an/an/a7.525



ZUANZHU PHARMA CO., LTD.

US Patent


Assay Description
1. Preparation of test reagents{circle around (1)} 1x kinase buffer (50 mM HEPES, pH 7.5, 3 mM MgCl2, 1 mM EGTA, 100 mM NaCl, 0.03% CHAPS, 2 mM DTT);...


US Patent US9284315 (2016)


BindingDB Entry DOI: 10.7270/Q2NC6011
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM213786
PNG
(US9284315, 58)
Show SMILES COc1ccc(cn1)-c1ccc2ncc3CN(C)C(=O)N(c4ccc(N5CCNCC5)c(c4)C(F)(F)F)c3c2n1
Show InChI InChI=1S/C28H26F3N7O2/c1-36-16-18-15-33-22-6-5-21(17-3-8-24(40-2)34-14-17)35-25(22)26(18)38(27(36)39)19-4-7-23(20(13-19)28(29,30)31)37-11-9-32-10-12-37/h3-8,13-15,32H,9-12,16H2,1-2H3
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n/an/a 91.9n/an/an/an/a7.525



ZUANZHU PHARMA CO., LTD.

US Patent


Assay Description
1. Preparation of test reagents {circle around (1)} 1x kinase buffer (50 mM HEPES, pH 7.5, 10 mM MgCl2, 1 mM EGTA, 3 mM MnCl, 0.01% Tween-20, 2 mM DT...


US Patent US9284315 (2016)


BindingDB Entry DOI: 10.7270/Q2NC6011
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM213788
PNG
(US9284315, 114)
Show SMILES COc1ccc(cn1)-c1ccc2ncc3CN(C)C(=O)N(C4CCNCC4)c3c2n1
Show InChI InChI=1S/C22H24N6O2/c1-27-13-15-12-24-18-5-4-17(14-3-6-19(30-2)25-11-14)26-20(18)21(15)28(22(27)29)16-7-9-23-10-8-16/h3-6,11-12,16,23H,7-10,13H2,1-2H3
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n/an/a 115n/an/an/an/a7.525



ZUANZHU PHARMA CO., LTD.

US Patent


Assay Description
1. Preparation of test reagents{circle around (1)} 1x kinase buffer (50 mM HEPES, pH 7.5, 3 mM MgCl2, 1 mM EGTA, 100 mM NaCl, 0.03% CHAPS, 2 mM DTT);...


US Patent US9284315 (2016)


BindingDB Entry DOI: 10.7270/Q2NC6011
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM213785
PNG
(US9284315, 52)
Show SMILES CN1Cc2cnc3ccc(nc3c2N(C1=O)c1ccc(cc1)C(C)(C)C#N)-c1cnc2ccccc2c1
Show InChI InChI=1S/C30H24N6O/c1-30(2,18-31)22-8-10-23(11-9-22)36-28-21(17-35(3)29(36)37)16-33-26-13-12-25(34-27(26)28)20-14-19-6-4-5-7-24(19)32-15-20/h4-16H,17H2,1-3H3
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n/an/a 154n/an/an/an/a7.525



ZUANZHU PHARMA CO., LTD.

US Patent


Assay Description
1. Preparation of test reagents{circle around (1)} 1x kinase buffer (50 mM HEPES, pH 7.5, 3 mM MgCl2, 1 mM EGTA, 100 mM NaCl, 0.03% CHAPS, 2 mM DTT);...


US Patent US9284315 (2016)


BindingDB Entry DOI: 10.7270/Q2NC6011
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM213787
PNG
(US9284315, 86)
Show SMILES COc1ccc(cn1)-c1ccc2ncc3CN(C)C(=O)N(C4CCN(CC4)C(=O)[C@@H](C)O)c3c2n1 |r|
Show InChI InChI=1S/C25H28N6O4/c1-15(32)24(33)30-10-8-18(9-11-30)31-23-17(14-29(2)25(31)34)13-26-20-6-5-19(28-22(20)23)16-4-7-21(35-3)27-12-16/h4-7,12-13,15,18,32H,8-11,14H2,1-3H3/t15-/m1/s1
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n/an/a 257n/an/an/an/a7.525



ZUANZHU PHARMA CO., LTD.

US Patent


Assay Description
1. Preparation of test reagents {circle around (1)} 1x kinase buffer (50 mM HEPES, pH 7.5, 10 mM MgCl2, 1 mM EGTA, 3 mM MnCl, 0.01% Tween-20, 2 mM DT...


US Patent US9284315 (2016)


BindingDB Entry DOI: 10.7270/Q2NC6011
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM213779
PNG
(US9284315, 8)
Show SMILES CSc1ccc(cn1)-c1ccc2ncc3CN(C)C(=O)N(c4cccc(c4)C(F)(F)F)c3c2n1
Show InChI InChI=1S/C24H18F3N5OS/c1-31-13-15-12-28-19-8-7-18(14-6-9-20(34-2)29-11-14)30-21(19)22(15)32(23(31)33)17-5-3-4-16(10-17)24(25,26)27/h3-12H,13H2,1-2H3
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n/an/a 260n/an/an/an/a7.525



ZUANZHU PHARMA CO., LTD.

US Patent


Assay Description
1. Preparation of test reagents{circle around (1)} 1x kinase buffer (50 mM HEPES, pH 7.5, 3 mM MgCl2, 1 mM EGTA, 100 mM NaCl, 0.03% CHAPS, 2 mM DTT);...


US Patent US9284315 (2016)


BindingDB Entry DOI: 10.7270/Q2NC6011
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM213781
PNG
(US9284315, 11)
Show SMILES CN1CCN(CC1)c1ccc(cn1)-c1ccc2ncc3CN(C)C(=O)N(c4cccc(c4)C(F)(F)F)c3c2n1
Show InChI InChI=1S/C28H26F3N7O/c1-35-10-12-37(13-11-35)24-9-6-18(15-33-24)22-7-8-23-25(34-22)26-19(16-32-23)17-36(2)27(39)38(26)21-5-3-4-20(14-21)28(29,30)31/h3-9,14-16H,10-13,17H2,1-2H3
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n/an/a 496n/an/an/an/a7.525



ZUANZHU PHARMA CO., LTD.

US Patent


Assay Description
1. Preparation of test reagents{circle around (1)} 1x kinase buffer (50 mM HEPES, pH 7.5, 3 mM MgCl2, 1 mM EGTA, 100 mM NaCl, 0.03% CHAPS, 2 mM DTT);...


US Patent US9284315 (2016)


BindingDB Entry DOI: 10.7270/Q2NC6011
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM213788
PNG
(US9284315, 114)
Show SMILES COc1ccc(cn1)-c1ccc2ncc3CN(C)C(=O)N(C4CCNCC4)c3c2n1
Show InChI InChI=1S/C22H24N6O2/c1-27-13-15-12-24-18-5-4-17(14-3-6-19(30-2)25-11-14)26-20(18)21(15)28(22(27)29)16-7-9-23-10-8-16/h3-6,11-12,16,23H,7-10,13H2,1-2H3
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n/an/a 732n/an/an/an/a7.525



ZUANZHU PHARMA CO., LTD.

US Patent


Assay Description
1. Preparation of test reagents {circle around (1)} 1x kinase buffer (50 mM HEPES, pH 7.5, 10 mM MgCl2, 1 mM EGTA, 3 mM MnCl, 0.01% Tween-20, 2 mM DT...


US Patent US9284315 (2016)


BindingDB Entry DOI: 10.7270/Q2NC6011
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM213780
PNG
(US9284315, 9)
Show SMILES CN1Cc2cnc3ccc(nc3c2N(C1=O)c1cccc(c1)C(F)(F)F)-c1ccc(nc1)-n1cccn1
Show InChI InChI=1S/C26H18F3N7O/c1-34-15-17-14-30-21-8-7-20(16-6-9-22(31-13-16)35-11-3-10-32-35)33-23(21)24(17)36(25(34)37)19-5-2-4-18(12-19)26(27,28)29/h2-14H,15H2,1H3
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n/an/a 873n/an/an/an/a7.525



ZUANZHU PHARMA CO., LTD.

US Patent


Assay Description
1. Preparation of test reagents{circle around (1)} 1x kinase buffer (50 mM HEPES, pH 7.5, 3 mM MgCl2, 1 mM EGTA, 100 mM NaCl, 0.03% CHAPS, 2 mM DTT);...


US Patent US9284315 (2016)


BindingDB Entry DOI: 10.7270/Q2NC6011
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%