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Patent code US10053455

Compile Data Set for Download or QSAR
Found 22 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))
BDBM243350
PNG
(4-{5-[3-(4-Methyl- pyrimidin-2-ylamino)-5- morphol...)
Show SMILES Cc1ccnc(Nc2cc(CN3CCOCC3)cc(c2)-c2cnc(o2)N2CCNC(=O)C22CC2)n1
Show InChI InChI=1S/C25H29N7O3/c1-17-2-5-27-23(29-17)30-20-13-18(16-31-8-10-34-11-9-31)12-19(14-20)21-15-28-24(35-21)32-7-6-26-22(33)25(32)3-4-25/h2,5,12-15H,3-4,6-11,16H2,1H3,(H,26,33)(H,27,29,30)
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Assay Description
SYK kinase was purified as a full length protein in a baculovirus system near homogeneity. All kinase assays were performed with the Kinase TK (tyros...


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


(Homo sapiens (human))
BDBM243355
PNG
(5-{5-[3-(4-Isopropyl- pyrimidin-2-ylamino)- phenyl...)
Show SMILES CC(C)c1ccnc(Nc2cccc(c2)-c2cnc(o2)N2CCNC(=O)C22CCC2)n1
Show InChI InChI=1S/C23H26N6O2/c1-15(2)18-7-10-25-21(28-18)27-17-6-3-5-16(13-17)19-14-26-22(31-19)29-12-11-24-20(30)23(29)8-4-9-23/h3,5-7,10,13-15H,4,8-9,11-12H2,1-2H3,(H,24,30)(H,25,27,28)
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Assay Description
SYK kinase was purified as a full length protein in a baculovirus system near homogeneity. All kinase assays were performed with the Kinase TK (tyros...


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


(Homo sapiens (human))
BDBM243352
PNG
(4-{5-[3-(4- Trifluoromethyl- pyrimidin-2-ylamino)-...)
Show SMILES FC(F)(F)c1ccnc(Nc2cccc(c2)-c2cnc(o2)N2CCNC(=O)C22CC2)n1
Show InChI InChI=1S/C20H17F3N6O2/c21-20(22,23)15-4-7-25-17(28-15)27-13-3-1-2-12(10-13)14-11-26-18(31-14)29-9-8-24-16(30)19(29)5-6-19/h1-4,7,10-11H,5-6,8-9H2,(H,24,30)(H,25,27,28)
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Assay Description
SYK kinase was purified as a full length protein in a baculovirus system near homogeneity. All kinase assays were performed with the Kinase TK (tyros...


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


(Homo sapiens (human))
BDBM243353
PNG
(6-{5-[3-(4-Methyl- pyrimidin-2-ylamino)- phenyl]-o...)
Show SMILES Cc1ccnc(Nc2cccc(c2)-c2cnc(o2)N2CCNC(=O)C22CCCC2)n1
Show InChI InChI=1S/C22H24N6O2/c1-15-7-10-24-20(26-15)27-17-6-4-5-16(13-17)18-14-25-21(30-18)28-12-11-23-19(29)22(28)8-2-3-9-22/h4-7,10,13-14H,2-3,8-9,11-12H2,1H3,(H,23,29)(H,24,26,27)
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Assay Description
SYK kinase was purified as a full length protein in a baculovirus system near homogeneity. All kinase assays were performed with the Kinase TK (tyros...


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


(Homo sapiens (human))
BDBM243362
PNG
(4-{5-[2-Fluoro-5-(4- methyl-pyrimidin-2- ylamino)-...)
Show SMILES Cc1ccnc(Nc2ccc(F)c(c2)-c2cnc(o2)N2CCNC(=O)C22CC2)n1
Show InChI InChI=1S/C20H19FN6O2/c1-12-4-7-23-18(25-12)26-13-2-3-15(21)14(10-13)16-11-24-19(29-16)27-9-8-22-17(28)20(27)5-6-20/h2-4,7,10-11H,5-6,8-9H2,1H3,(H,22,28)(H,23,25,26)
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Assay Description
SYK kinase was purified as a full length protein in a baculovirus system near homogeneity. All kinase assays were performed with the Kinase TK (tyros...


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


(Homo sapiens (human))
BDBM243348
PNG
(4-{5-[2-(2-Morpholin-4- yl-ethoxy)-5-(4-thiophen- ...)
Show SMILES O=C1NCCN(c2ncc(o2)-c2cc(Nc3nccc(n3)-c3cccs3)ccc2OCCN2CCOCC2)C11CC1
Show InChI InChI=1S/C29H31N7O4S/c37-26-29(6-7-29)36(10-9-30-26)28-32-19-24(40-28)21-18-20(3-4-23(21)39-16-13-35-11-14-38-15-12-35)33-27-31-8-5-22(34-27)25-2-1-17-41-25/h1-5,8,17-19H,6-7,9-16H2,(H,30,37)(H,31,33,34)
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Assay Description
SYK kinase was purified as a full length protein in a baculovirus system near homogeneity. All kinase assays were performed with the Kinase TK (tyros...


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


(Homo sapiens (human))
BDBM243357
PNG
(4-{5-[3-(4-Isopropyl- pyrimidin-2-ylamino)- phenyl...)
Show SMILES CC(C)c1ccnc(Nc2cccc(c2)-c2cnc(o2)N2CCNC(=O)C22CC2)n1
Show InChI InChI=1S/C22H24N6O2/c1-14(2)17-6-9-24-20(27-17)26-16-5-3-4-15(12-16)18-13-25-21(30-18)28-11-10-23-19(29)22(28)7-8-22/h3-6,9,12-14H,7-8,10-11H2,1-2H3,(H,23,29)(H,24,26,27)
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Assay Description
SYK kinase was purified as a full length protein in a baculovirus system near homogeneity. All kinase assays were performed with the Kinase TK (tyros...


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


(Homo sapiens (human))
BDBM243366
PNG
(4-{5-[3-(Thiazol-2- ylamino)-phenyl]oxazol- 2-yl}-...)
Show SMILES O=C1NCCN(c2ncc(o2)-c2cccc(Nc3nccs3)c2)C11CC1
Show InChI InChI=1S/C18H17N5O2S/c24-15-18(4-5-18)23(8-6-19-15)17-21-11-14(25-17)12-2-1-3-13(10-12)22-16-20-7-9-26-16/h1-3,7,9-11H,4-6,8H2,(H,19,24)(H,20,22)
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Assay Description
SYK kinase was purified as a full length protein in a baculovirus system near homogeneity. All kinase assays were performed with the Kinase TK (tyros...


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


(Homo sapiens (human))
BDBM243346
PNG
(2-{3-[2-(8-Oxo-4,7- diaza-spiro[2.5]oct-4-yl)- oxa...)
Show SMILES O=C1NCCN(c2ncc(o2)-c2cccc(Nc3nccc(n3)[N+]#[C-])c2)C11CC1
Show InChI InChI=1S/C20H17N7O2/c1-21-16-5-8-23-18(26-16)25-14-4-2-3-13(11-14)15-12-24-19(29-15)27-10-9-22-17(28)20(27)6-7-20/h2-5,8,11-12H,6-7,9-10H2,(H,22,28)(H,23,25,26)
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Assay Description
SYK kinase was purified as a full length protein in a baculovirus system near homogeneity. All kinase assays were performed with the Kinase TK (tyros...


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


(Homo sapiens (human))
BDBM243359
PNG
(4-{5-[3-(4-Thiophen-2- yl-pyrimidin-2-ylamino)- ph...)
Show SMILES O=C1NCCN(c2ncc(o2)-c2cccc(Nc3nccc(n3)-c3cccs3)c2)C11CC1
Show InChI InChI=1S/C23H20N6O2S/c30-20-23(7-8-23)29(11-10-24-20)22-26-14-18(31-22)15-3-1-4-16(13-15)27-21-25-9-6-17(28-21)19-5-2-12-32-19/h1-6,9,12-14H,7-8,10-11H2,(H,24,30)(H,25,27,28)
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Assay Description
SYK kinase was purified as a full length protein in a baculovirus system near homogeneity. All kinase assays were performed with the Kinase TK (tyros...


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


(Homo sapiens (human))
BDBM243345
PNG
(4-{5-[3-(4-Methyl- pyrimidin-2-ylamino)- phenyl]-o...)
Show SMILES Cc1ccnc(Nc2cccc(c2)-c2cnc(o2)N2CCNC(=O)C22CC2)n1
Show InChI InChI=1S/C20H20N6O2/c1-13-5-8-22-18(24-13)25-15-4-2-3-14(11-15)16-12-23-19(28-16)26-10-9-21-17(27)20(26)6-7-20/h2-5,8,11-12H,6-7,9-10H2,1H3,(H,21,27)(H,22,24,25)
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Assay Description
SYK kinase was purified as a full length protein in a baculovirus system near homogeneity. All kinase assays were performed with the Kinase TK (tyros...


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


(Homo sapiens (human))
BDBM243354
PNG
(4-{5-[3-(4-Phenyl- pyrimidin-2-ylamino)- phenyl]-o...)
Show SMILES O=C1NCCN(c2ncc(o2)-c2cccc(Nc3nccc(n3)-c3ccccc3)c2)C11CC1
Show InChI InChI=1S/C25H22N6O2/c32-22-25(10-11-25)31(14-13-26-22)24-28-16-21(33-24)18-7-4-8-19(15-18)29-23-27-12-9-20(30-23)17-5-2-1-3-6-17/h1-9,12,15-16H,10-11,13-14H2,(H,26,32)(H,27,29,30)
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Assay Description
SYK kinase was purified as a full length protein in a baculovirus system near homogeneity. All kinase assays were performed with the Kinase TK (tyros...


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


(Homo sapiens (human))
BDBM243360
PNG
(5-{5-[3-(4- Trifluoromethyl- pyrimidin-2-ylamino)-...)
Show SMILES FC(F)(F)c1ccnc(Nc2cccc(c2)-c2cnc(o2)N2CCNC(=O)C22CCC2)n1
Show InChI InChI=1S/C21H19F3N6O2/c22-21(23,24)16-5-8-26-18(29-16)28-14-4-1-3-13(11-14)15-12-27-19(32-15)30-10-9-25-17(31)20(30)6-2-7-20/h1,3-5,8,11-12H,2,6-7,9-10H2,(H,25,31)(H,26,28,29)
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Assay Description
SYK kinase was purified as a full length protein in a baculovirus system near homogeneity. All kinase assays were performed with the Kinase TK (tyros...


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


(Homo sapiens (human))
BDBM243361
PNG
(4-{5-[2-(2-Morpholin-4- yl-ethoxy)-5-(4- trifluoro...)
Show SMILES FC(F)(F)c1ccnc(Nc2ccc(OCCN3CCOCC3)c(c2)-c2cnc(o2)N2CCNC(=O)C22CC2)n1
Show InChI InChI=1S/C26H28F3N7O4/c27-26(28,29)21-3-6-31-23(34-21)33-17-1-2-19(39-14-11-35-9-12-38-13-10-35)18(15-17)20-16-32-24(40-20)36-8-7-30-22(37)25(36)4-5-25/h1-3,6,15-16H,4-5,7-14H2,(H,30,37)(H,31,33,34)
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Assay Description
SYK kinase was purified as a full length protein in a baculovirus system near homogeneity. All kinase assays were performed with the Kinase TK (tyros...


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


(Homo sapiens (human))
BDBM243347
PNG
(4-{5-[3-Morpholin-4- ylmethy1-5-(4- trifluoromethy...)
Show SMILES FC(F)(F)c1ccnc(Nc2cc(CN3CCOCC3)cc(c2)-c2cnc(o2)N2CCNC(=O)C22CC2)n1
Show InChI InChI=1S/C25H26F3N7O3/c26-25(27,28)20-1-4-30-22(33-20)32-18-12-16(15-34-7-9-37-10-8-34)11-17(13-18)19-14-31-23(38-19)35-6-5-29-21(36)24(35)2-3-24/h1,4,11-14H,2-3,5-10,15H2,(H,29,36)(H,30,32,33)
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Assay Description
SYK kinase was purified as a full length protein in a baculovirus system near homogeneity. All kinase assays were performed with the Kinase TK (tyros...


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


(Homo sapiens (human))
BDBM243351
PNG
(4-{5-[3-(4-Ethyl- pyrimidin-2-ylamino)- phenyl]-ox...)
Show SMILES CCc1ccnc(Nc2cccc(c2)-c2cnc(o2)N2CCNC(=O)C22CC2)n1
Show InChI InChI=1S/C21H22N6O2/c1-2-15-6-9-23-19(25-15)26-16-5-3-4-14(12-16)17-13-24-20(29-17)27-11-10-22-18(28)21(27)7-8-21/h3-6,9,12-13H,2,7-8,10-11H2,1H3,(H,22,28)(H,23,25,26)
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Assay Description
SYK kinase was purified as a full length protein in a baculovirus system near homogeneity. All kinase assays were performed with the Kinase TK (tyros...


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


(Homo sapiens (human))
BDBM243363
PNG
(4-{5-[3-(4-Pyridin-3-yl- pyrimidin-2-ylamino)- phe...)
Show SMILES C[N]1=C(OC(=C1)c1cccc(Nc2nccc(n2)-c2cccnc2)c1)N1CCNC(=O)C11CC1
Show InChI InChI=1S/C25H24N7O2/c1-31-16-21(34-24(31)32-13-12-27-22(33)25(32)8-9-25)17-4-2-6-19(14-17)29-23-28-11-7-20(30-23)18-5-3-10-26-15-18/h2-7,10-11,14-16H,8-9,12-13H2,1H3,(H,27,33)(H,28,29,30)
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Assay Description
SYK kinase was purified as a full length protein in a baculovirus system near homogeneity. All kinase assays were performed with the Kinase TK (tyros...


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


(Homo sapiens (human))
BDBM243356
PNG
(5-{5-[3-(4-Methyl- pyrimidin-2-ylamino)- phenyl]-o...)
Show SMILES Cc1ccnc(Nc2cccc(c2)-c2cnc(o2)N2CCNC(=O)C22CCC2)n1
Show InChI InChI=1S/C21H22N6O2/c1-14-6-9-23-19(25-14)26-16-5-2-4-15(12-16)17-13-24-20(29-17)27-11-10-22-18(28)21(27)7-3-8-21/h2,4-6,9,12-13H,3,7-8,10-11H2,1H3,(H,22,28)(H,23,25,26)
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Assay Description
SYK kinase was purified as a full length protein in a baculovirus system near homogeneity. All kinase assays were performed with the Kinase TK (tyros...


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


(Homo sapiens (human))
BDBM243349
PNG
(4-{5-[3-Methy1-5-(4- trifluoromethyl-pyrimidin- 2-...)
Show SMILES Cc1cc(Nc2nccc(n2)C(F)(F)F)cc(c1)-c1cnc(o1)N1CCNC(=O)C11CC1
Show InChI InChI=1S/C21H19F3N6O2/c1-12-8-13(10-14(9-12)28-18-26-5-2-16(29-18)21(22,23)24)15-11-27-19(32-15)30-7-6-25-17(31)20(30)3-4-20/h2,5,8-11H,3-4,6-7H2,1H3,(H,25,31)(H,26,28,29)
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Assay Description
SYK kinase was purified as a full length protein in a baculovirus system near homogeneity. All kinase assays were performed with the Kinase TK (tyros...


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


(Homo sapiens (human))
BDBM243365
PNG
(4-{5-[3-(4-Methyl- pyridin-2-ylamino)- phenyl]oxaz...)
Show SMILES Cc1ccnc(Nc2cccc(c2)-c2cnc(o2)N2CCNC(=O)C22CC2)c1
Show InChI InChI=1S/C21H21N5O2/c1-14-5-8-22-18(11-14)25-16-4-2-3-15(12-16)17-13-24-20(28-17)26-10-9-23-19(27)21(26)6-7-21/h2-5,8,11-13H,6-7,9-10H2,1H3,(H,22,25)(H,23,27)
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n/an/a 1.25E+3n/an/an/an/an/an/a



AB SCIENCE

US Patent


Assay Description
SYK kinase was purified as a full length protein in a baculovirus system near homogeneity. All kinase assays were performed with the Kinase TK (tyros...


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


(Homo sapiens (human))
BDBM243358
PNG
(4-{5-[3-(4-Morpholin-4- yl-pyrimidin-2-ylamino)- p...)
Show SMILES O=C1NCCN(c2ncc(o2)-c2cccc(Nc3nccc(n3)N3CCOCC3)c2)C11CC1
Show InChI InChI=1S/C23H25N7O3/c31-20-23(5-6-23)30(9-8-24-20)22-26-15-18(33-22)16-2-1-3-17(14-16)27-21-25-7-4-19(28-21)29-10-12-32-13-11-29/h1-4,7,14-15H,5-6,8-13H2,(H,24,31)(H,25,27,28)
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n/an/a>2.00E+3n/an/an/an/an/an/a



AB SCIENCE

US Patent


Assay Description
SYK kinase was purified as a full length protein in a baculovirus system near homogeneity. All kinase assays were performed with the Kinase TK (tyros...


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


(Homo sapiens (human))
BDBM243364
PNG
(4-{5-[2-Methyl-3-(4- methyl-pyrimidin-2- ylamino)-...)
Show SMILES Cc1ccnc(Nc2cccc(C3=C[N](C)=C(O3)N3CCNC(=O)C33CC3)c2C)n1
Show InChI InChI=1S/C22H25N6O2/c1-14-7-10-24-20(25-14)26-17-6-4-5-16(15(17)2)18-13-27(3)21(30-18)28-12-11-23-19(29)22(28)8-9-22/h4-7,10,13H,8-9,11-12H2,1-3H3,(H,23,29)(H,24,25,26)
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n/an/a>2.00E+3n/an/an/an/an/an/a



AB SCIENCE

US Patent


Assay Description
SYK kinase was purified as a full length protein in a baculovirus system near homogeneity. All kinase assays were performed with the Kinase TK (tyros...


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