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Patent code US9914735

Compile Data Set for Download or QSAR

Found 391 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
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM140389
PNG
(US8912173, 114 | US9914735, Example 114)
Show SMILES CCCn1cc(cn1)-c1cc(O[C@H](C)[C@H]2CNC(=O)C2)c2cccnc2c1
Show InChI InChI=1/C21H24N4O2/c1-3-7-25-13-17(12-24-25)15-8-19-18(5-4-6-22-19)20(9-15)27-14(2)16-10-21(26)23-11-16/h4-6,8-9,12-14,16H,3,7,10-11H2,1-2H3,(H,23,26)/t14-,16-/s2
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n/an/a 0.200n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) ...


US Patent US9914735 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM140390
PNG
(US8912173, 115 | US9914735, Example 115)
Show SMILES CC(C)n1cc(cn1)-c1cc(O[C@H](C)[C@H]2CNC(=O)C2)c2cccnc2c1
Show InChI InChI=1/C21H24N4O2/c1-13(2)25-12-17(11-24-25)15-7-19-18(5-4-6-22-19)20(8-15)27-14(3)16-9-21(26)23-10-16/h4-8,11-14,16H,9-10H2,1-3H3,(H,23,26)/t14-,16-/s2
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n/an/a 0.200n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) ...


US Patent US9914735 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM375967
PNG
(US9914735, Example 45)
Show SMILES C[C@@H](Oc1cc(cc2nn(C)cc12)-c1cnn(c1)C1CCNCC1)[C@H]1CNC(=O)C1
Show InChI InChI=1/C22H28N6O2/c1-14(16-9-22(29)24-10-16)30-21-8-15(7-20-19(21)13-27(2)26-20)17-11-25-28(12-17)18-3-5-23-6-4-18/h7-8,11-14,16,18,23H,3-6,9-10H2,1-2H3,(H,24,29)/t14-,16-/s2
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n/an/a 0.200n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) ...


US Patent US9914735 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM140384
PNG
(US8912173, 109 | US9914735, Example 109)
Show SMILES C[C@@H](Oc1cc(cc2ncccc12)-c1ccc2[nH]c(C)nc2c1)[C@H]1CNC(=O)C1
Show InChI InChI=1/C23H22N4O2/c1-13(17-11-23(28)25-12-17)29-22-10-16(9-20-18(22)4-3-7-24-20)15-5-6-19-21(8-15)27-14(2)26-19/h3-10,13,17H,11-12H2,1-2H3,(H,25,28)(H,26,27)/t13-,17-/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) ...


US Patent US9914735 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM375960
PNG
(US9914735, Example 35)
Show SMILES C[C@@H](Oc1cc(cc2nn(C)cc12)-c1csc(n1)C(F)F)[C@H]1CNC(=O)C1
Show InChI InChI=1/C18H18F2N4O2S/c1-9(11-5-16(25)21-6-11)26-15-4-10(3-13-12(15)7-24(2)23-13)14-8-27-18(22-14)17(19)20/h3-4,7-9,11,17H,5-6H2,1-2H3,(H,21,25)/t9-,11-/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) ...


US Patent US9914735 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM375942
PNG
(US9914735, Example 8)
Show SMILES COc1cc(ccc1O)-c1cc2nn(C)cc2c(O[C@H](C)[C@H]2CNC(=O)C2)n1
Show InChI InChI=1/C20H22N4O4/c1-11(13-7-19(26)21-9-13)28-20-14-10-24(2)23-16(14)8-15(22-20)12-4-5-17(25)18(6-12)27-3/h4-6,8,10-11,13,25H,7,9H2,1-3H3,(H,21,26)/t11-,13-/s2
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n/an/a 1n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) ...


US Patent US9914735 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM375944
PNG
(Step 1: Synthesis of N′-(4,4-difluoro-cycloh...)
Show SMILES C[C@@H](Oc1nc(cc2nn(C)cc12)-c1cnn(c1)C1CCC(F)(F)CC1)[C@H]1CNC(=O)C1
Show InChI InChI=1/C22H26F2N6O2/c1-13(14-7-20(31)25-9-14)32-21-17-12-29(2)28-19(17)8-18(27-21)15-10-26-30(11-15)16-3-5-22(23,24)6-4-16/h8,10-14,16H,3-7,9H2,1-2H3,(H,25,31)/t13-,14-/s2
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n/an/a 1n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) ...


US Patent US9914735 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM375964
PNG
(US9914735, Example 41)
Show SMILES C[C@@H](Oc1cc(cc2nn(C)cc12)-c1ccc(F)cn1)[C@H]1CNC(=O)C1
Show InChI InChI=1/C19H19FN4O2/c1-11(13-7-19(25)22-8-13)26-18-6-12(16-4-3-14(20)9-21-16)5-17-15(18)10-24(2)23-17/h3-6,9-11,13H,7-8H2,1-2H3,(H,22,25)/t11-,13-/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) ...


US Patent US9914735 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM375966
PNG
(US9914735, Example 43)
Show SMILES C[C@@H](Oc1cc(cc2nn(C)cc12)-c1cnc2ccc(cn12)C#N)[C@H]1CNC(=O)C1
Show InChI InChI=1/C22H20N6O2/c1-13(16-7-22(29)25-9-16)30-20-6-15(5-18-17(20)12-27(2)26-18)19-10-24-21-4-3-14(8-23)11-28(19)21/h3-6,10-13,16H,7,9H2,1-2H3,(H,25,29)/t13-,16-/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) ...


US Patent US9914735 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM140380
PNG
(US8912173, 105 | US9914735, Example 105)
Show SMILES C[C@@H](Oc1cc(cc2ncccc12)-c1ccc2n(C)c(C)nc2c1)[C@H]1CNC(=O)C1
Show InChI InChI=1/C24H24N4O2/c1-14(18-12-24(29)26-13-18)30-23-11-17(10-20-19(23)5-4-8-25-20)16-6-7-22-21(9-16)27-15(2)28(22)3/h4-11,14,18H,12-13H2,1-3H3,(H,26,29)/t14-,18-/s2
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n/an/a 1n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) ...


US Patent US9914735 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM140369
PNG
(US8912173, 94 | US9914735, Example 94)
Show SMILES C[C@@H](Oc1cc(cc2ncccc12)-c1ccc2n(C)cnc2c1)[C@H]1CNC(=O)C1
Show InChI InChI=1/C23H22N4O2/c1-14(17-11-23(28)25-12-17)29-22-10-16(9-19-18(22)4-3-7-24-19)15-5-6-21-20(8-15)26-13-27(21)2/h3-10,13-14,17H,11-12H2,1-2H3,(H,25,28)/t14-,17-/s2
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n/an/a 1n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) ...


US Patent US9914735 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM375942
PNG
(US9914735, Example 8)
Show SMILES COc1cc(ccc1O)-c1cc2nn(C)cc2c(O[C@H](C)[C@H]2CNC(=O)C2)n1
Show InChI InChI=1/C20H22N4O4/c1-11(13-7-19(26)21-9-13)28-20-14-10-24(2)23-16(14)8-15(22-20)12-4-5-17(25)18(6-12)27-3/h4-6,8,10-11,13,25H,7,9H2,1-3H3,(H,21,26)/t11-,13-/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) ...


US Patent US9914735 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM375957
PNG
(US9914735, Example 29)
Show SMILES C[C@@H](Oc1cc(cc2nn(C)cc12)-c1cscn1)[C@H]1CNC(=O)C1
Show InChI InChI=1/C17H18N4O2S/c1-10(12-5-17(22)18-6-12)23-16-4-11(15-8-24-9-19-15)3-14-13(16)7-21(2)20-14/h3-4,7-10,12H,5-6H2,1-2H3,(H,18,22)/t10-,12-/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) ...


US Patent US9914735 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM375982
PNG
(US9914735, Example 61)
Show SMILES C[C@@H](Oc1nc(cc2nn(C)cc12)-c1ccc(nc1)C(F)(F)F)[C@H]1CNC(=O)C1
Show InChI InChI=1/C19H18F3N5O2/c1-10(12-5-17(28)24-8-12)29-18-13-9-27(2)26-15(13)6-14(25-18)11-3-4-16(23-7-11)19(20,21)22/h3-4,6-7,9-10,12H,5,8H2,1-2H3,(H,24,28)/t10-,12-/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) ...


US Patent US9914735 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM140360
PNG
(US8912173, 85 | US9914735, Example 85)
Show SMILES C[C@@H](Oc1cc(cc2ncccc12)-c1ccc2nc(C)sc2c1)[C@H]1CNC(=O)C1
Show InChI InChI=1/C23H21N3O2S/c1-13(17-11-23(27)25-12-17)28-21-9-16(8-20-18(21)4-3-7-24-20)15-5-6-19-22(10-15)29-14(2)26-19/h3-10,13,17H,11-12H2,1-2H3,(H,25,27)/t13-,17-/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) ...


US Patent US9914735 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM375949
PNG
(US9914735, Example 15 | US9914735, Example 76)
Show SMILES C[C@@H](Oc1nc(cc2nn(C)cc12)-c1cnn(CCC(F)(F)F)c1)[C@H]1CNC(=O)C1
Show InChI InChI=1/C19H21F3N6O2/c1-11(12-5-17(29)23-7-12)30-18-14-10-27(2)26-16(14)6-15(25-18)13-8-24-28(9-13)4-3-19(20,21)22/h6,8-12H,3-5,7H2,1-2H3,(H,23,29)/t11-,12-/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) ...


US Patent US9914735 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM375965
PNG
(US9914735, Example 42)
Show SMILES C[C@@H](Oc1cc(cc2nn(C)cc12)-c1ccc(cc1)C1CCN(C)CC1)[C@H]1CNC(=O)C1
Show InChI InChI=1/C26H32N4O2/c1-17(22-14-26(31)27-15-22)32-25-13-21(12-24-23(25)16-30(3)28-24)19-6-4-18(5-7-19)20-8-10-29(2)11-9-20/h4-7,12-13,16-17,20,22H,8-11,14-15H2,1-3H3,(H,27,31)/t17-,22-/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) ...


US Patent US9914735 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM375945
PNG
(US9914735, Example 11)
Show SMILES C[C@@H](Oc1nc(cc2nn(C)cc12)-c1cc2nn(C)cc2c(O[C@H](C)[C@@H]2CNC(=O)C2)n1)[C@H]1CNC(=O)C1
Show InChI InChI=1/C26H30N8O4/c1-13(15-5-23(35)27-9-15)37-25-17-11-33(3)31-19(17)7-21(29-25)22-8-20-18(12-34(4)32-20)26(30-22)38-14(2)16-6-24(36)28-10-16/h7-8,11-16H,5-6,9-10H2,1-4H3,(H,27,35)(H,28,36)/t13-,14-,15-,16+/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) ...


US Patent US9914735 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM140376
PNG
(US8912173, 101 | US9914735, Example 101)
Show SMILES C[C@@H](Oc1cc(cc2ncccc12)-c1ccc2CCNCc2c1)[C@H]1CNC(=O)C1
Show InChI InChI=1/C24H25N3O2/c1-15(19-12-24(28)27-14-19)29-23-11-18(10-22-21(23)3-2-7-26-22)17-5-4-16-6-8-25-13-20(16)9-17/h2-5,7,9-11,15,19,25H,6,8,12-14H2,1H3,(H,27,28)/t15-,19-/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) ...


US Patent US9914735 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM375941
PNG
(US9914735, Example 7)
Show SMILES C[C@@H](Oc1nc(cc2nn(C)cc12)-c1cnn(c1)C1CCCCC1)[C@H]1CNC(=O)C1
Show InChI InChI=1/C22H28N6O2/c1-14(15-8-21(29)23-10-15)30-22-18-13-27(2)26-20(18)9-19(25-22)16-11-24-28(12-16)17-6-4-3-5-7-17/h9,11-15,17H,3-8,10H2,1-2H3,(H,23,29)/t14-,15-/s2
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n/an/a 2n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) ...


US Patent US9914735 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM376002
PNG
(US9914735, Example 81)
Show SMILES COc1cc(ccc1OC(C)C)-c1cc2nn(C)cc2c(O[C@H](C)[C@H]2CNC(=O)C2)n1
Show InChI InChI=1/C23H28N4O4/c1-13(2)30-20-7-6-15(8-21(20)29-5)18-10-19-17(12-27(4)26-19)23(25-18)31-14(3)16-9-22(28)24-11-16/h6-8,10,12-14,16H,9,11H2,1-5H3,(H,24,28)/t14-,16-/s2
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n/an/a 3n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) ...


US Patent US9914735 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM144453
PNG
(US8969568, 4 | US9914735, Example 4)
Show SMILES COc1cc(ccc1OC(F)(F)F)-c1cc2ncccc2c(O[C@H](C)[C@H]2CNC(=O)C2)n1
Show InChI InChI=1/C22H20F3N3O4/c1-12(14-9-20(29)27-11-14)31-21-15-4-3-7-26-17(15)10-16(28-21)13-5-6-18(19(8-13)30-2)32-22(23,24)25/h3-8,10,12,14H,9,11H2,1-2H3,(H,27,29)/t12-,14-/s2
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n/an/a 3n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) ...


US Patent US9914735 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM140280
PNG
(US8912173, 6 | US9914735, Example 6)
Show SMILES C[C@@H](Oc1cc(cc2ncccc12)-c1ccccn1)[C@H]1CNC(=O)C1
Show InChI InChI=1/C20H19N3O2/c1-13(15-11-20(24)23-12-15)25-19-10-14(17-6-2-3-7-21-17)9-18-16(19)5-4-8-22-18/h2-10,13,15H,11-12H2,1H3,(H,23,24)/t13-,15-/s2
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n/an/a 4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) ...


US Patent US9914735 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM375952
PNG
(US9914735, Example 18)
Show SMILES C[C@@H](Oc1cc(cc2nn(C)cc12)-c1cnn(c1)C(C)(C)C)[C@H]1CNC(=O)C1
Show InChI InChI=1/C21H27N5O2/c1-13(15-8-20(27)22-9-15)28-19-7-14(6-18-17(19)12-25(5)24-18)16-10-23-26(11-16)21(2,3)4/h6-7,10-13,15H,8-9H2,1-5H3,(H,22,27)/t13-,15-/s2
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n/an/a 4.60n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Recombinant human Syk (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag, affinity-purified and deep-frozen at a conc...


US Patent US9914735 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM375952
PNG
(US9914735, Example 18)
Show SMILES C[C@@H](Oc1cc(cc2nn(C)cc12)-c1cnn(c1)C(C)(C)C)[C@H]1CNC(=O)C1
Show InChI InChI=1/C21H27N5O2/c1-13(15-8-20(27)22-9-15)28-19-7-14(6-18-17(19)12-25(5)24-18)16-10-23-26(11-16)21(2,3)4/h6-7,10-13,15H,8-9H2,1-5H3,(H,22,27)/t13-,15-/s2
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n/an/a 4.60n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) ...


US Patent US9914735 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM140387
PNG
(US8912173, 112 | US9914735, Example 112)
Show SMILES C[C@@H](Oc1cc(cc2ncccc12)-c1cnn(C)c1C)[C@H]1CNC(=O)C1
Show InChI InChI=1/C20H22N4O2/c1-12-17(11-23-24(12)3)14-7-18-16(5-4-6-21-18)19(8-14)26-13(2)15-9-20(25)22-10-15/h4-8,11,13,15H,9-10H2,1-3H3,(H,22,25)/t13-,15-/s2
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n/an/a 6n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) ...


US Patent US9914735 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM375950
PNG
(US9914735, Example 16)
Show SMILES C[C@@H](Oc1cc(cc2nn(C)cc12)-c1n[nH]c2ccc(cc12)C#N)[C@H]1CNC(=O)C1
Show InChI InChI=1/C22H20N6O2/c1-12(15-8-21(29)24-10-15)30-20-7-14(6-19-17(20)11-28(2)27-19)22-16-5-13(9-23)3-4-18(16)25-26-22/h3-7,11-12,15H,8,10H2,1-2H3,(H,24,29)(H,25,26)/t12-,15-/s2
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n/an/a 6.5n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Recombinant human Syk (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag, affinity-purified and deep-frozen at a conc...


US Patent US9914735 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM375968
PNG
(US9914735, Example 47)
Show SMILES C[C@@H](Oc1cc(cc2nn(C)cc12)-c1cnn(c1)C1CCOCC1)[C@H]1CNC(=O)C1
Show InChI InChI=1/C22H27N5O3/c1-14(16-9-22(28)23-10-16)30-21-8-15(7-20-19(21)13-26(2)25-20)17-11-24-27(12-17)18-3-5-29-6-4-18/h7-8,11-14,16,18H,3-6,9-10H2,1-2H3,(H,23,28)/t14-,16-/s2
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n/an/a 6.70n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Recombinant human Syk (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag, affinity-purified and deep-frozen at a conc...


US Patent US9914735 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM375939
PNG
(US9914735, Example 2)
Show SMILES C[C@@H](Oc1nc(cc2nn(C)cc12)-c1cnn(c1)C(C)(C)C)[C@H]1CNC(=O)C1
Show InChI InChI=1/C20H26N6O2/c1-12(13-6-18(27)21-8-13)28-19-15-11-25(5)24-17(15)7-16(23-19)14-9-22-26(10-14)20(2,3)4/h7,9-13H,6,8H2,1-5H3,(H,21,27)/t12-,13-/s2
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n/an/a 7n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) ...


US Patent US9914735 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM140382
PNG
(US8912173, 107 | US9914735, Example 107)
Show SMILES C[C@@H](Oc1cc(cc2ncccc12)-c1ccc2nc(C)nc(C)c2c1)[C@H]1CNC(=O)C1
Show InChI InChI=1/C25H24N4O2/c1-14-21-9-17(6-7-22(21)29-16(3)28-14)18-10-23-20(5-4-8-26-23)24(11-18)31-15(2)19-12-25(30)27-13-19/h4-11,15,19H,12-13H2,1-3H3,(H,27,30)/t15-,19-/s2
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n/an/a 9n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) ...


US Patent US9914735 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM375938
PNG
(US9914735, Example 1)
Show SMILES COc1ccc(cc1OC)-c1cc2nn(C)cc2c(O[C@H](C)[C@H]2CNC(=O)C2)n1
Show InChI InChI=1/C21H24N4O4/c1-12(14-8-20(26)22-10-14)29-21-15-11-25(2)24-17(15)9-16(23-21)13-5-6-18(27-3)19(7-13)28-4/h5-7,9,11-12,14H,8,10H2,1-4H3,(H,22,26)/t12-,14-/s2
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n/an/a 9n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) ...


US Patent US9914735 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM375940
PNG
(US9914735, Example 3)
Show SMILES C[C@@H](Oc1nc(cc2nn(C)cc12)-c1cnn(c1)C1CCCCO1)[C@H]1CNC(=O)C1
Show InChI InChI=1/C21H26N6O3/c1-13(14-7-19(28)22-9-14)30-21-16-12-26(2)25-18(16)8-17(24-21)15-10-23-27(11-15)20-5-3-4-6-29-20/h8,10-14,20H,3-7,9H2,1-2H3,(H,22,28)/t13-,14-,20?/s2
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n/an/a 12.2n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) ...


US Patent US9914735 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM375946
PNG
(US9914735, Example 12)
Show SMILES C[C@@H](Oc1nc(cc2nn(C)cc12)-c1cnn(c1)[C@H]1CC[C@@H](CC1)N1CCN(C)C(=O)C1)[C@H]1CNC(=O)C1
Show InChI InChI=1/C27H36N8O3/c1-17(18-10-25(36)28-12-18)38-27-22-15-33(3)31-24(22)11-23(30-27)19-13-29-35(14-19)21-6-4-20(5-7-21)34-9-8-32(2)26(37)16-34/h11,13-15,17-18,20-21H,4-10,12,16H2,1-3H3,(H,28,36)/t17-,18-,20-,21-/s2
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n/an/a 12.3n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Recombinant human Syk (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag, affinity-purified and deep-frozen at a conc...


US Patent US9914735 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM375953
PNG
(US9914735, Example 22)
Show SMILES C[C@@H](Oc1cc(cc2nn(C)cc12)-c1ccc(cc1)N1CCOCC1)[C@H]1CNC(=O)C1
Show InChI InChI=1/C24H28N4O3/c1-16(19-13-24(29)25-14-19)31-23-12-18(11-22-21(23)15-27(2)26-22)17-3-5-20(6-4-17)28-7-9-30-10-8-28/h3-6,11-12,15-16,19H,7-10,13-14H2,1-2H3,(H,25,29)/t16-,19-/s2
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n/an/a 12.8n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Recombinant human Syk (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag, affinity-purified and deep-frozen at a conc...


US Patent US9914735 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM375953
PNG
(US9914735, Example 22)
Show SMILES C[C@@H](Oc1cc(cc2nn(C)cc12)-c1ccc(cc1)N1CCOCC1)[C@H]1CNC(=O)C1
Show InChI InChI=1/C24H28N4O3/c1-16(19-13-24(29)25-14-19)31-23-12-18(11-22-21(23)15-27(2)26-22)17-3-5-20(6-4-17)28-7-9-30-10-8-28/h3-6,11-12,15-16,19H,7-10,13-14H2,1-2H3,(H,25,29)/t16-,19-/s2
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n/an/a 12.8n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) ...


US Patent US9914735 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM140377
PNG
(US8912173, 102 | US9914735, Example 102)
Show SMILES COc1cc(ccc1C(F)(F)F)-c1cc(O[C@H](C)[C@H]2CNC(=O)C2)c2cccnc2c1
Show InChI InChI=1/C23H21F3N2O3/c1-13(16-11-22(29)28-12-16)31-20-10-15(8-19-17(20)4-3-7-27-19)14-5-6-18(23(24,25)26)21(9-14)30-2/h3-10,13,16H,11-12H2,1-2H3,(H,28,29)/t13-,16-/s2
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n/an/a 13n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) ...


US Patent US9914735 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM375974
PNG
(US9914735, Example 53)
Show SMILES COc1ccc2[nH]cc(-c3cc4nn(C)cc4c(O[C@H](C)[C@H]4CNC(=O)C4)n3)c2c1
Show InChI InChI=1/C22H23N5O3/c1-12(13-6-21(28)24-9-13)30-22-17-11-27(2)26-20(17)8-19(25-22)16-10-23-18-5-4-14(29-3)7-15(16)18/h4-5,7-8,10-13,23H,6,9H2,1-3H3,(H,24,28)/t12-,13-/s2
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n/an/a 13.9n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Recombinant human Syk (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag, affinity-purified and deep-frozen at a conc...


US Patent US9914735 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM375939
PNG
(US9914735, Example 2)
Show SMILES C[C@@H](Oc1nc(cc2nn(C)cc12)-c1cnn(c1)C(C)(C)C)[C@H]1CNC(=O)C1
Show InChI InChI=1/C20H26N6O2/c1-12(13-6-18(27)21-8-13)28-19-15-11-25(5)24-17(15)7-16(23-19)14-9-22-26(10-14)20(2,3)4/h7,9-13H,6,8H2,1-5H3,(H,21,27)/t12-,13-/s2
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n/an/a 14.4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) ...


US Patent US9914735 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM375939
PNG
(US9914735, Example 2)
Show SMILES C[C@@H](Oc1nc(cc2nn(C)cc12)-c1cnn(c1)C(C)(C)C)[C@H]1CNC(=O)C1
Show InChI InChI=1/C20H26N6O2/c1-12(13-6-18(27)21-8-13)28-19-15-11-25(5)24-17(15)7-16(23-19)14-9-22-26(10-14)20(2,3)4/h7,9-13H,6,8H2,1-5H3,(H,21,27)/t12-,13-/s2
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n/an/a 14.4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Recombinant human Syk (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag, affinity-purified and deep-frozen at a conc...


US Patent US9914735 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM375967
PNG
(US9914735, Example 45)
Show SMILES C[C@@H](Oc1cc(cc2nn(C)cc12)-c1cnn(c1)C1CCNCC1)[C@H]1CNC(=O)C1
Show InChI InChI=1/C22H28N6O2/c1-14(16-9-22(29)24-10-16)30-21-8-15(7-20-19(21)13-27(2)26-20)17-11-25-28(12-17)18-3-5-23-6-4-18/h7-8,11-14,16,18,23H,3-6,9-10H2,1-2H3,(H,24,29)/t14-,16-/s2
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n/an/a 14.7n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Recombinant human Syk (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag, affinity-purified and deep-frozen at a conc...


US Patent US9914735 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM375941
PNG
(US9914735, Example 7)
Show SMILES C[C@@H](Oc1nc(cc2nn(C)cc12)-c1cnn(c1)C1CCCCC1)[C@H]1CNC(=O)C1
Show InChI InChI=1/C22H28N6O2/c1-14(15-8-21(29)23-10-15)30-22-18-13-27(2)26-20(18)9-19(25-22)16-11-24-28(12-16)17-6-4-3-5-7-17/h9,11-15,17H,3-8,10H2,1-2H3,(H,23,29)/t14-,15-/s2
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n/an/a 14.7n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Recombinant human Syk (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag, affinity-purified and deep-frozen at a conc...


US Patent US9914735 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM375970
PNG
(US9914735, Example 49)
Show SMILES C[C@@H](Oc1cc(cc2nn(C)cc12)-c1cnn(c1)C1CCN(C)CC1)[C@H]1CNC(=O)C1
Show InChI InChI=1/C23H30N6O2/c1-15(17-10-23(30)24-11-17)31-22-9-16(8-21-20(22)14-28(3)26-21)18-12-25-29(13-18)19-4-6-27(2)7-5-19/h8-9,12-15,17,19H,4-7,10-11H2,1-3H3,(H,24,30)/t15-,17-/s2
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n/an/a 14.8n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Recombinant human Syk (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag, affinity-purified and deep-frozen at a conc...


US Patent US9914735 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM375992
PNG
(US9914735, Example 71)
Show SMILES C[C@@H](Oc1nc(cc2nn(C)cc12)-c1ccc(N2CCCS2(=O)=O)c(C)c1)[C@H]1CNC(=O)C1
Show InChI InChI=1/C23H27N5O4S/c1-14-9-16(5-6-21(14)28-7-4-8-33(28,30)31)19-11-20-18(13-27(3)26-20)23(25-19)32-15(2)17-10-22(29)24-12-17/h5-6,9,11,13,15,17H,4,7-8,10,12H2,1-3H3,(H,24,29)/t15-,17-/s2
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n/an/a 15n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Recombinant human Syk (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag, affinity-purified and deep-frozen at a conc...


US Patent US9914735 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM375988
PNG
(US9914735, Example 67)
Show SMILES C[C@@H](Oc1nc(cc2nn(C)cc12)-c1ccc(cc1)N1CCN(C)CC1)[C@H]1CNC(=O)C1
Show InChI InChI=1/C24H30N6O2/c1-16(18-12-23(31)25-14-18)32-24-20-15-29(3)27-22(20)13-21(26-24)17-4-6-19(7-5-17)30-10-8-28(2)9-11-30/h4-7,13,15-16,18H,8-12,14H2,1-3H3,(H,25,31)/t16-,18-/s2
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n/an/a 15.2n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Recombinant human Syk (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag, affinity-purified and deep-frozen at a conc...


US Patent US9914735 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM375988
PNG
(US9914735, Example 67)
Show SMILES C[C@@H](Oc1nc(cc2nn(C)cc12)-c1ccc(cc1)N1CCN(C)CC1)[C@H]1CNC(=O)C1
Show InChI InChI=1/C24H30N6O2/c1-16(18-12-23(31)25-14-18)32-24-20-15-29(3)27-22(20)13-21(26-24)17-4-6-19(7-5-17)30-10-8-28(2)9-11-30/h4-7,13,15-16,18H,8-12,14H2,1-3H3,(H,25,31)/t16-,18-/s2
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n/an/a 15.2n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) ...


US Patent US9914735 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM375938
PNG
(US9914735, Example 1)
Show SMILES COc1ccc(cc1OC)-c1cc2nn(C)cc2c(O[C@H](C)[C@H]2CNC(=O)C2)n1
Show InChI InChI=1/C21H24N4O4/c1-12(14-8-20(26)22-10-14)29-21-15-11-25(2)24-17(15)9-16(23-21)13-5-6-18(27-3)19(7-13)28-4/h5-7,9,11-12,14H,8,10H2,1-4H3,(H,22,26)/t12-,14-/s2
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n/an/a 16n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) ...


US Patent US9914735 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM375938
PNG
(US9914735, Example 1)
Show SMILES COc1ccc(cc1OC)-c1cc2nn(C)cc2c(O[C@H](C)[C@H]2CNC(=O)C2)n1
Show InChI InChI=1/C21H24N4O4/c1-12(14-8-20(26)22-10-14)29-21-15-11-25(2)24-17(15)9-16(23-21)13-5-6-18(27-3)19(7-13)28-4/h5-7,9,11-12,14H,8,10H2,1-4H3,(H,22,26)/t12-,14-/s2
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n/an/a 16n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Recombinant human Syk (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag, affinity-purified and deep-frozen at a conc...


US Patent US9914735 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM375965
PNG
(US9914735, Example 42)
Show SMILES C[C@@H](Oc1cc(cc2nn(C)cc12)-c1ccc(cc1)C1CCN(C)CC1)[C@H]1CNC(=O)C1
Show InChI InChI=1/C26H32N4O2/c1-17(22-14-26(31)27-15-22)32-25-13-21(12-24-23(25)16-30(3)28-24)19-6-4-18(5-7-19)20-8-10-29(2)11-9-20/h4-7,12-13,16-17,20,22H,8-11,14-15H2,1-3H3,(H,27,31)/t17-,22-/s2
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n/an/a 16.7n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Recombinant human Syk (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag, affinity-purified and deep-frozen at a conc...


US Patent US9914735 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM375965
PNG
(US9914735, Example 42)
Show SMILES C[C@@H](Oc1cc(cc2nn(C)cc12)-c1ccc(cc1)C1CCN(C)CC1)[C@H]1CNC(=O)C1
Show InChI InChI=1/C26H32N4O2/c1-17(22-14-26(31)27-15-22)32-25-13-21(12-24-23(25)16-30(3)28-24)19-6-4-18(5-7-19)20-8-10-29(2)11-9-20/h4-7,12-13,16-17,20,22H,8-11,14-15H2,1-3H3,(H,27,31)/t17-,22-/s2
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n/an/a 16.7n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) ...


US Patent US9914735 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM375961
PNG
(US9914735, Example 36)
Show SMILES C[C@@H](Oc1cc(cc2nn(C)cc12)-c1ccc2n(C)nc(N)c2c1)[C@H]1CNC(=O)C1
Show InChI InChI=1/C22H24N6O2/c1-12(15-9-21(29)24-10-15)30-20-8-14(7-18-17(20)11-27(2)25-18)13-4-5-19-16(6-13)22(23)26-28(19)3/h4-8,11-12,15H,9-10H2,1-3H3,(H2,23,26)(H,24,29)/t12-,15-/s2
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n/an/a 17.2n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Recombinant human Syk (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag, affinity-purified and deep-frozen at a conc...


US Patent US9914735 (2018)

More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%