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Patent code US8664219

Compile Data Set for Download or QSAR
Found 26 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
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM118096
PNG
(US8664219, I-16 | US8664219, I-8)
Show SMILES Cc1cc(Nc2n[nH]c3ncc(F)cc23)nc(n1)C1CCCCCC1
Show InChI InChI=1S/C18H21FN6/c1-11-8-15(22-16(21-11)12-6-4-2-3-5-7-12)23-18-14-9-13(19)10-20-17(14)24-25-18/h8-10,12H,2-7H2,1H3,(H2,20,21,22,23,24,25)
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n/an/a 0.300n/an/an/an/an/an/a



Vertex Pharmaceuticals Incorporated

US Patent


Assay Description
Compounds are screened for their ability to inhibit the phosphorylation of tyrosine (TYR) residues through the use of western blotting of Jurkat cell...


US Patent US8664219 (2014)


BindingDB Entry DOI: 10.7270/Q24748J8
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM118098
PNG
(US8664219, I-10)
Show SMILES Cc1cc(Nc2n[nH]c3ncc(F)cc23)nc(n1)C1CCCCC1
Show InChI InChI=1S/C17H19FN6/c1-10-7-14(21-15(20-10)11-5-3-2-4-6-11)22-17-13-8-12(18)9-19-16(13)23-24-17/h7-9,11H,2-6H2,1H3,(H2,19,20,21,22,23,24)
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Vertex Pharmaceuticals Incorporated

US Patent


Assay Description
Compounds are screened for their ability to inhibit the phosphorylation of tyrosine (TYR) residues through the use of western blotting of Jurkat cell...


US Patent US8664219 (2014)


BindingDB Entry DOI: 10.7270/Q24748J8
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM118093
PNG
(US8664219, I-3)
Show SMILES Cc1nc(nc(Nc2n[nH]c3ncc(F)cc23)c1C)C1CCCCC1
Show InChI InChI=1S/C18H21FN6/c1-10-11(2)21-16(12-6-4-3-5-7-12)22-15(10)23-18-14-8-13(19)9-20-17(14)24-25-18/h8-9,12H,3-7H2,1-2H3,(H2,20,21,22,23,24,25)
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Vertex Pharmaceuticals Incorporated

US Patent


Assay Description
Compounds are screened for their ability to inhibit the phosphorylation of tyrosine (TYR) residues through the use of western blotting of Jurkat cell...


US Patent US8664219 (2014)


BindingDB Entry DOI: 10.7270/Q24748J8
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM118094
PNG
(US8664219, I-4)
Show SMILES Cc1nc(Nc2n[nH]c3ncc(F)cc23)cc(n1)C1CCC(F)(F)CC1
Show InChI InChI=1S/C17H17F3N6/c1-9-22-13(10-2-4-17(19,20)5-3-10)7-14(23-9)24-16-12-6-11(18)8-21-15(12)25-26-16/h6-8,10H,2-5H2,1H3,(H2,21,22,23,24,25,26)
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Vertex Pharmaceuticals Incorporated

US Patent


Assay Description
Compounds are screened for their ability to inhibit the phosphorylation of tyrosine (TYR) residues through the use of western blotting of Jurkat cell...


US Patent US8664219 (2014)


BindingDB Entry DOI: 10.7270/Q24748J8
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM118102
PNG
(US8664219, I-18)
Show SMILES C[C@H]1CCCC[C@@H]1c1nc(C)cc(Nc2n[nH]c3ncc(F)cc23)n1 |r|
Show InChI InChI=1S/C18H21FN6/c1-10-5-3-4-6-13(10)17-21-11(2)7-15(22-17)23-18-14-8-12(19)9-20-16(14)24-25-18/h7-10,13H,3-6H2,1-2H3,(H2,20,21,22,23,24,25)/t10-,13-/m0/s1
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Vertex Pharmaceuticals Incorporated

US Patent


Assay Description
Compounds are screened for their ability to inhibit the phosphorylation of tyrosine (TYR) residues through the use of western blotting of Jurkat cell...


US Patent US8664219 (2014)


BindingDB Entry DOI: 10.7270/Q24748J8
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM118097
PNG
(US8664219, I-9)
Show SMILES Cc1cc(Nc2n[nH]c3ncc(F)cc23)nc(n1)C1CCCC1
Show InChI InChI=1S/C16H17FN6/c1-9-6-13(20-14(19-9)10-4-2-3-5-10)21-16-12-7-11(17)8-18-15(12)22-23-16/h6-8,10H,2-5H2,1H3,(H2,18,19,20,21,22,23)
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Vertex Pharmaceuticals Incorporated

US Patent


Assay Description
Compounds are screened for their ability to inhibit the phosphorylation of tyrosine (TYR) residues through the use of western blotting of Jurkat cell...


US Patent US8664219 (2014)


BindingDB Entry DOI: 10.7270/Q24748J8
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM118105
PNG
(US8664219, I-23)
Show SMILES Cc1cc(Nc2n[nH]c3ccc(F)cc23)nc(n1)C1CCCCC1
Show InChI InChI=1S/C18H20FN5/c1-11-9-16(21-17(20-11)12-5-3-2-4-6-12)22-18-14-10-13(19)7-8-15(14)23-24-18/h7-10,12H,2-6H2,1H3,(H2,20,21,22,23,24)
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Vertex Pharmaceuticals Incorporated

US Patent


Assay Description
Compounds are screened for their ability to inhibit the phosphorylation of tyrosine (TYR) residues through the use of western blotting of Jurkat cell...


US Patent US8664219 (2014)


BindingDB Entry DOI: 10.7270/Q24748J8
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM118103
PNG
(US8664219, I-19)
Show SMILES Cc1cc(Nc2c[nH]c3ncc(F)cc23)nc(n1)C12CC3CC(CC(C3)C1)C2 |TLB:25:24:27:21.20.19,25:20:27:24.26.23,THB:26:24:21:27.18.19,26:18:21:24.25.23|
Show InChI InChI=1S/C22H24FN5/c1-12-2-19(27-18-11-25-20-17(18)6-16(23)10-24-20)28-21(26-12)22-7-13-3-14(8-22)5-15(4-13)9-22/h2,6,10-11,13-15H,3-5,7-9H2,1H3,(H,24,25)(H,26,27,28)
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Vertex Pharmaceuticals Incorporated

US Patent


Assay Description
Compounds are screened for their ability to inhibit the phosphorylation of tyrosine (TYR) residues through the use of western blotting of Jurkat cell...


US Patent US8664219 (2014)


BindingDB Entry DOI: 10.7270/Q24748J8
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM118096
PNG
(US8664219, I-16 | US8664219, I-8)
Show SMILES Cc1cc(Nc2n[nH]c3ncc(F)cc23)nc(n1)C1CCCCCC1
Show InChI InChI=1S/C18H21FN6/c1-11-8-15(22-16(21-11)12-6-4-2-3-5-7-12)23-18-14-9-13(19)10-20-17(14)24-25-18/h8-10,12H,2-7H2,1H3,(H2,20,21,22,23,24,25)
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Vertex Pharmaceuticals Incorporated

US Patent


Assay Description
Compounds are screened for their ability to inhibit the phosphorylation of tyrosine (TYR) residues through the use of western blotting of Jurkat cell...


US Patent US8664219 (2014)


BindingDB Entry DOI: 10.7270/Q24748J8
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM118101
PNG
(US8664219, I-17)
Show SMILES Cc1cc(Nc2n[nH]c3ncc(F)cc23)nc(n1)C1CCOCC1
Show InChI InChI=1S/C16H17FN6O/c1-9-6-13(20-14(19-9)10-2-4-24-5-3-10)21-16-12-7-11(17)8-18-15(12)22-23-16/h6-8,10H,2-5H2,1H3,(H2,18,19,20,21,22,23)
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Vertex Pharmaceuticals Incorporated

US Patent


Assay Description
Compounds are screened for their ability to inhibit the phosphorylation of tyrosine (TYR) residues through the use of western blotting of Jurkat cell...


US Patent US8664219 (2014)


BindingDB Entry DOI: 10.7270/Q24748J8
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM118104
PNG
(US8664219, I-21)
Show SMILES CC(C)(O)c1cc(Nc2n[nH]c3ncc(F)cc23)nc(n1)C1CCCCC1
Show InChI InChI=1S/C19H23FN6O/c1-19(2,27)14-9-15(23-16(22-14)11-6-4-3-5-7-11)24-18-13-8-12(20)10-21-17(13)25-26-18/h8-11,27H,3-7H2,1-2H3,(H2,21,22,23,24,25,26)
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Vertex Pharmaceuticals Incorporated

US Patent


Assay Description
Compounds are screened for their ability to inhibit the phosphorylation of tyrosine (TYR) residues through the use of western blotting of Jurkat cell...


US Patent US8664219 (2014)


BindingDB Entry DOI: 10.7270/Q24748J8
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM118098
PNG
(US8664219, I-10)
Show SMILES Cc1cc(Nc2n[nH]c3ncc(F)cc23)nc(n1)C1CCCCC1
Show InChI InChI=1S/C17H19FN6/c1-10-7-14(21-15(20-10)11-5-3-2-4-6-11)22-17-13-8-12(18)9-19-16(13)23-24-17/h7-9,11H,2-6H2,1H3,(H2,19,20,21,22,23,24)
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n/an/a 6n/an/an/an/an/an/a



Vertex Pharmaceuticals Incorporated

US Patent


Assay Description
Compounds are screened for their ability to inhibit the phosphorylation of tyrosine (TYR) residues through the use of western blotting of Jurkat cell...


US Patent US8664219 (2014)


BindingDB Entry DOI: 10.7270/Q24748J8
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM118096
PNG
(US8664219, I-16 | US8664219, I-8)
Show SMILES Cc1cc(Nc2n[nH]c3ncc(F)cc23)nc(n1)C1CCCCCC1
Show InChI InChI=1S/C18H21FN6/c1-11-8-15(22-16(21-11)12-6-4-2-3-5-7-12)23-18-14-9-13(19)10-20-17(14)24-25-18/h8-10,12H,2-7H2,1H3,(H2,20,21,22,23,24,25)
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n/an/a 10n/an/an/an/an/an/a



Vertex Pharmaceuticals Incorporated

US Patent


Assay Description
Compounds are screened for their ability to inhibit the phosphorylation of tyrosine (TYR) residues through the use of western blotting of Jurkat cell...


US Patent US8664219 (2014)


BindingDB Entry DOI: 10.7270/Q24748J8
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM118093
PNG
(US8664219, I-3)
Show SMILES Cc1nc(nc(Nc2n[nH]c3ncc(F)cc23)c1C)C1CCCCC1
Show InChI InChI=1S/C18H21FN6/c1-10-11(2)21-16(12-6-4-3-5-7-12)22-15(10)23-18-14-8-13(19)9-20-17(14)24-25-18/h8-9,12H,3-7H2,1-2H3,(H2,20,21,22,23,24,25)
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Vertex Pharmaceuticals Incorporated

US Patent


Assay Description
Compounds are screened for their ability to inhibit the phosphorylation of tyrosine (TYR) residues through the use of western blotting of Jurkat cell...


US Patent US8664219 (2014)


BindingDB Entry DOI: 10.7270/Q24748J8
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM118094
PNG
(US8664219, I-4)
Show SMILES Cc1nc(Nc2n[nH]c3ncc(F)cc23)cc(n1)C1CCC(F)(F)CC1
Show InChI InChI=1S/C17H17F3N6/c1-9-22-13(10-2-4-17(19,20)5-3-10)7-14(23-9)24-16-12-6-11(18)8-21-15(12)25-26-16/h6-8,10H,2-5H2,1H3,(H2,21,22,23,24,25,26)
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Vertex Pharmaceuticals Incorporated

US Patent


Assay Description
Compounds are screened for their ability to inhibit the phosphorylation of tyrosine (TYR) residues through the use of western blotting of Jurkat cell...


US Patent US8664219 (2014)


BindingDB Entry DOI: 10.7270/Q24748J8
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM118103
PNG
(US8664219, I-19)
Show SMILES Cc1cc(Nc2c[nH]c3ncc(F)cc23)nc(n1)C12CC3CC(CC(C3)C1)C2 |TLB:25:24:27:21.20.19,25:20:27:24.26.23,THB:26:24:21:27.18.19,26:18:21:24.25.23|
Show InChI InChI=1S/C22H24FN5/c1-12-2-19(27-18-11-25-20-17(18)6-16(23)10-24-20)28-21(26-12)22-7-13-3-14(8-22)5-15(4-13)9-22/h2,6,10-11,13-15H,3-5,7-9H2,1H3,(H,24,25)(H,26,27,28)
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Vertex Pharmaceuticals Incorporated

US Patent


Assay Description
Compounds are screened for their ability to inhibit the phosphorylation of tyrosine (TYR) residues through the use of western blotting of Jurkat cell...


US Patent US8664219 (2014)


BindingDB Entry DOI: 10.7270/Q24748J8
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM118104
PNG
(US8664219, I-21)
Show SMILES CC(C)(O)c1cc(Nc2n[nH]c3ncc(F)cc23)nc(n1)C1CCCCC1
Show InChI InChI=1S/C19H23FN6O/c1-19(2,27)14-9-15(23-16(22-14)11-6-4-3-5-7-11)24-18-13-8-12(20)10-21-17(13)25-26-18/h8-11,27H,3-7H2,1-2H3,(H2,21,22,23,24,25,26)
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Vertex Pharmaceuticals Incorporated

US Patent


Assay Description
Compounds are screened for their ability to inhibit the phosphorylation of tyrosine (TYR) residues through the use of western blotting of Jurkat cell...


US Patent US8664219 (2014)


BindingDB Entry DOI: 10.7270/Q24748J8
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM118105
PNG
(US8664219, I-23)
Show SMILES Cc1cc(Nc2n[nH]c3ccc(F)cc23)nc(n1)C1CCCCC1
Show InChI InChI=1S/C18H20FN5/c1-11-9-16(21-17(20-11)12-5-3-2-4-6-12)22-18-14-10-13(19)7-8-15(14)23-24-18/h7-10,12H,2-6H2,1H3,(H2,20,21,22,23,24)
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n/an/a 25n/an/an/an/an/an/a



Vertex Pharmaceuticals Incorporated

US Patent


Assay Description
Compounds are screened for their ability to inhibit the phosphorylation of tyrosine (TYR) residues through the use of western blotting of Jurkat cell...


US Patent US8664219 (2014)


BindingDB Entry DOI: 10.7270/Q24748J8
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM118099
PNG
(US8664219, I-15)
Show SMILES Cc1cc(Nc2n[nH]c3ccc(F)cc23)nc(n1)C1CCOCC1
Show InChI InChI=1S/C17H18FN5O/c1-10-8-15(20-16(19-10)11-4-6-24-7-5-11)21-17-13-9-12(18)2-3-14(13)22-23-17/h2-3,8-9,11H,4-7H2,1H3,(H2,19,20,21,22,23)
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n/an/a 30n/an/an/an/an/an/a



Vertex Pharmaceuticals Incorporated

US Patent


Assay Description
Compounds are screened for their ability to inhibit the phosphorylation of tyrosine (TYR) residues through the use of western blotting of Jurkat cell...


US Patent US8664219 (2014)


BindingDB Entry DOI: 10.7270/Q24748J8
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM118095
PNG
(US8664219, I-5)
Show SMILES Cc1nc(nc(Nc2n[nH]c3ncc(F)cc23)c1C)C1CCOCC1
Show InChI InChI=1S/C17H19FN6O/c1-9-10(2)20-15(11-3-5-25-6-4-11)21-14(9)22-17-13-7-12(18)8-19-16(13)23-24-17/h7-8,11H,3-6H2,1-2H3,(H2,19,20,21,22,23,24)
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Vertex Pharmaceuticals Incorporated

US Patent


Assay Description
Compounds are screened for their ability to inhibit the phosphorylation of tyrosine (TYR) residues through the use of western blotting of Jurkat cell...


US Patent US8664219 (2014)


BindingDB Entry DOI: 10.7270/Q24748J8
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM118101
PNG
(US8664219, I-17)
Show SMILES Cc1cc(Nc2n[nH]c3ncc(F)cc23)nc(n1)C1CCOCC1
Show InChI InChI=1S/C16H17FN6O/c1-9-6-13(20-14(19-9)10-2-4-24-5-3-10)21-16-12-7-11(17)8-18-15(12)22-23-16/h6-8,10H,2-5H2,1H3,(H2,18,19,20,21,22,23)
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n/an/a 30n/an/an/an/an/an/a



Vertex Pharmaceuticals Incorporated

US Patent


Assay Description
Compounds are screened for their ability to inhibit the phosphorylation of tyrosine (TYR) residues through the use of western blotting of Jurkat cell...


US Patent US8664219 (2014)


BindingDB Entry DOI: 10.7270/Q24748J8
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM118097
PNG
(US8664219, I-9)
Show SMILES Cc1cc(Nc2n[nH]c3ncc(F)cc23)nc(n1)C1CCCC1
Show InChI InChI=1S/C16H17FN6/c1-9-6-13(20-14(19-9)10-4-2-3-5-10)21-16-12-7-11(17)8-18-15(12)22-23-16/h6-8,10H,2-5H2,1H3,(H2,18,19,20,21,22,23)
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n/an/a 48n/an/an/an/an/an/a



Vertex Pharmaceuticals Incorporated

US Patent


Assay Description
Compounds are screened for their ability to inhibit the phosphorylation of tyrosine (TYR) residues through the use of western blotting of Jurkat cell...


US Patent US8664219 (2014)


BindingDB Entry DOI: 10.7270/Q24748J8
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM118096
PNG
(US8664219, I-16 | US8664219, I-8)
Show SMILES Cc1cc(Nc2n[nH]c3ncc(F)cc23)nc(n1)C1CCCCCC1
Show InChI InChI=1S/C18H21FN6/c1-11-8-15(22-16(21-11)12-6-4-2-3-5-7-12)23-18-14-9-13(19)10-20-17(14)24-25-18/h8-10,12H,2-7H2,1H3,(H2,20,21,22,23,24,25)
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n/an/a 83n/an/an/an/an/an/a



Vertex Pharmaceuticals Incorporated

US Patent


Assay Description
Compounds are screened for their ability to inhibit the phosphorylation of tyrosine (TYR) residues through the use of western blotting of Jurkat cell...


US Patent US8664219 (2014)


BindingDB Entry DOI: 10.7270/Q24748J8
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM118099
PNG
(US8664219, I-15)
Show SMILES Cc1cc(Nc2n[nH]c3ccc(F)cc23)nc(n1)C1CCOCC1
Show InChI InChI=1S/C17H18FN5O/c1-10-8-15(20-16(19-10)11-4-6-24-7-5-11)21-17-13-9-12(18)2-3-14(13)22-23-17/h2-3,8-9,11H,4-7H2,1H3,(H2,19,20,21,22,23)
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n/an/a 200n/an/an/an/an/an/a



Vertex Pharmaceuticals Incorporated

US Patent


Assay Description
Compounds are screened for their ability to inhibit the phosphorylation of tyrosine (TYR) residues through the use of western blotting of Jurkat cell...


US Patent US8664219 (2014)


BindingDB Entry DOI: 10.7270/Q24748J8
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM118102
PNG
(US8664219, I-18)
Show SMILES C[C@H]1CCCC[C@@H]1c1nc(C)cc(Nc2n[nH]c3ncc(F)cc23)n1 |r|
Show InChI InChI=1S/C18H21FN6/c1-10-5-3-4-6-13(10)17-21-11(2)7-15(22-17)23-18-14-8-12(19)9-20-16(14)24-25-18/h7-10,13H,3-6H2,1-2H3,(H2,20,21,22,23,24,25)/t10-,13-/m0/s1
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US Patent
n/an/a 300n/an/an/an/an/an/a



Vertex Pharmaceuticals Incorporated

US Patent


Assay Description
Compounds are screened for their ability to inhibit the phosphorylation of tyrosine (TYR) residues through the use of western blotting of Jurkat cell...


US Patent US8664219 (2014)


BindingDB Entry DOI: 10.7270/Q24748J8
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM118095
PNG
(US8664219, I-5)
Show SMILES Cc1nc(nc(Nc2n[nH]c3ncc(F)cc23)c1C)C1CCOCC1
Show InChI InChI=1S/C17H19FN6O/c1-9-10(2)20-15(11-3-5-25-6-4-11)21-14(9)22-17-13-7-12(18)8-19-16(13)23-24-17/h7-8,11H,3-6H2,1-2H3,(H2,19,20,21,22,23,24)
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n/an/a 800n/an/an/an/an/an/a



Vertex Pharmaceuticals Incorporated

US Patent


Assay Description
Compounds are screened for their ability to inhibit the phosphorylation of tyrosine (TYR) residues through the use of western blotting of Jurkat cell...


US Patent US8664219 (2014)


BindingDB Entry DOI: 10.7270/Q24748J8
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%