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Patent code US8735593

Compile Data Set for Download or QSAR
Found 10 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))
BDBM122537
PNG
(US8735593, I-5)
Show SMILES Cc1cc(Nc2n[nH]c3ncc(F)cc23)nc(-c2ccccc2)c1C
Show InChI InChI=1S/C19H16FN5/c1-11-8-16(22-17(12(11)2)13-6-4-3-5-7-13)23-19-15-9-14(20)10-21-18(15)24-25-19/h3-10H,1-2H3,(H2,21,22,23,24,25)
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US Patent
n/an/a 0.600n/an/an/an/a7.530



Vertex Pharmaceuticals Incorporated

US Patent


Assay Description
Compounds of the present invention were screened for their ability to inhibit GSK-3β (AA 1-420) activity using a standard coupled enzyme system ...


US Patent US8735593 (2014)


BindingDB Entry DOI: 10.7270/Q2H130PQ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM122535
PNG
(US8735593, I-3)
Show SMILES Cc1cc(Nc2n[nH]c3ncc(F)cc23)nc(c1)-c1ccccc1Cl
Show InChI InChI=1S/C18H13ClFN5/c1-10-6-15(12-4-2-3-5-14(12)19)22-16(7-10)23-18-13-8-11(20)9-21-17(13)24-25-18/h2-9H,1H3,(H2,21,22,23,24,25)
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US Patent
n/an/a 2n/an/an/an/a7.530



Vertex Pharmaceuticals Incorporated

US Patent


Assay Description
Compounds of the present invention were screened for their ability to inhibit GSK-3β (AA 1-420) activity using a standard coupled enzyme system ...


US Patent US8735593 (2014)


BindingDB Entry DOI: 10.7270/Q2H130PQ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM122533
PNG
(US8735593, I-1)
Show SMILES Fc1cnc2[nH]nc(Nc3cc(cc(n3)-c3ccccc3Cl)C(F)(F)F)c2c1
Show InChI InChI=1S/C18H10ClF4N5/c19-13-4-2-1-3-11(13)14-5-9(18(21,22)23)6-15(25-14)26-17-12-7-10(20)8-24-16(12)27-28-17/h1-8H,(H2,24,25,26,27,28)
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n/an/a 3n/an/an/an/a7.530



Vertex Pharmaceuticals Incorporated

US Patent


Assay Description
Compounds of the present invention were screened for their ability to inhibit GSK-3β (AA 1-420) activity using a standard coupled enzyme system ...


US Patent US8735593 (2014)


BindingDB Entry DOI: 10.7270/Q2H130PQ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM122534
PNG
(US8735593, I-2)
Show SMILES Cc1cc(Nc2n[nH]c3ncc(F)cc23)nc(c1C)-c1ccccc1Cl
Show InChI InChI=1S/C19H15ClFN5/c1-10-7-16(23-17(11(10)2)13-5-3-4-6-15(13)20)24-19-14-8-12(21)9-22-18(14)25-26-19/h3-9H,1-2H3,(H2,22,23,24,25,26)
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US Patent
n/an/a 10n/an/an/an/a7.530



Vertex Pharmaceuticals Incorporated

US Patent


Assay Description
Compounds of the present invention were screened for their ability to inhibit GSK-3β (AA 1-420) activity using a standard coupled enzyme system ...


US Patent US8735593 (2014)


BindingDB Entry DOI: 10.7270/Q2H130PQ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM122537
PNG
(US8735593, I-5)
Show SMILES Cc1cc(Nc2n[nH]c3ncc(F)cc23)nc(-c2ccccc2)c1C
Show InChI InChI=1S/C19H16FN5/c1-11-8-16(22-17(12(11)2)13-6-4-3-5-7-13)23-19-15-9-14(20)10-21-18(15)24-25-19/h3-10H,1-2H3,(H2,21,22,23,24,25)
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US Patent
n/an/a 20n/an/an/an/a7.530



Vertex Pharmaceuticals Incorporated

US Patent


Assay Description
Compounds of the present invention were screened for their ability to inhibit GSK-3β (AA 1-420) activity using a standard coupled enzyme system ...


US Patent US8735593 (2014)


BindingDB Entry DOI: 10.7270/Q2H130PQ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM122536
PNG
(US8735593, I-4)
Show SMILES Cc1cc(nc(Nc2n[nH]c3ncc(F)cc23)c1C)-c1ccccc1Cl
Show InChI InChI=1S/C19H15ClFN5/c1-10-7-16(13-5-3-4-6-15(13)20)23-17(11(10)2)24-19-14-8-12(21)9-22-18(14)25-26-19/h3-9H,1-2H3,(H2,22,23,24,25,26)
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n/an/a 30n/an/an/an/a7.530



Vertex Pharmaceuticals Incorporated

US Patent


Assay Description
Compounds of the present invention were screened for their ability to inhibit GSK-3β (AA 1-420) activity using a standard coupled enzyme system ...


US Patent US8735593 (2014)


BindingDB Entry DOI: 10.7270/Q2H130PQ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM122535
PNG
(US8735593, I-3)
Show SMILES Cc1cc(Nc2n[nH]c3ncc(F)cc23)nc(c1)-c1ccccc1Cl
Show InChI InChI=1S/C18H13ClFN5/c1-10-6-15(12-4-2-3-5-14(12)19)22-16(7-10)23-18-13-8-11(20)9-21-17(13)24-25-18/h2-9H,1H3,(H2,21,22,23,24,25)
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US Patent
n/an/a 30n/an/an/an/a7.530



Vertex Pharmaceuticals Incorporated

US Patent


Assay Description
Compounds of the present invention were screened for their ability to inhibit GSK-3β (AA 1-420) activity using a standard coupled enzyme system ...


US Patent US8735593 (2014)


BindingDB Entry DOI: 10.7270/Q2H130PQ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM122533
PNG
(US8735593, I-1)
Show SMILES Fc1cnc2[nH]nc(Nc3cc(cc(n3)-c3ccccc3Cl)C(F)(F)F)c2c1
Show InChI InChI=1S/C18H10ClF4N5/c19-13-4-2-1-3-11(13)14-5-9(18(21,22)23)6-15(25-14)26-17-12-7-10(20)8-24-16(12)27-28-17/h1-8H,(H2,24,25,26,27,28)
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n/an/a 50n/an/an/an/a7.530



Vertex Pharmaceuticals Incorporated

US Patent


Assay Description
Compounds of the present invention were screened for their ability to inhibit GSK-3β (AA 1-420) activity using a standard coupled enzyme system ...


US Patent US8735593 (2014)


BindingDB Entry DOI: 10.7270/Q2H130PQ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM122534
PNG
(US8735593, I-2)
Show SMILES Cc1cc(Nc2n[nH]c3ncc(F)cc23)nc(c1C)-c1ccccc1Cl
Show InChI InChI=1S/C19H15ClFN5/c1-10-7-16(23-17(11(10)2)13-5-3-4-6-15(13)20)24-19-14-8-12(21)9-22-18(14)25-26-19/h3-9H,1-2H3,(H2,22,23,24,25,26)
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US Patent
n/an/a 200n/an/an/an/a7.530



Vertex Pharmaceuticals Incorporated

US Patent


Assay Description
Compounds of the present invention were screened for their ability to inhibit GSK-3β (AA 1-420) activity using a standard coupled enzyme system ...


US Patent US8735593 (2014)


BindingDB Entry DOI: 10.7270/Q2H130PQ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM122536
PNG
(US8735593, I-4)
Show SMILES Cc1cc(nc(Nc2n[nH]c3ncc(F)cc23)c1C)-c1ccccc1Cl
Show InChI InChI=1S/C19H15ClFN5/c1-10-7-16(13-5-3-4-6-15(13)20)23-17(11(10)2)24-19-14-8-12(21)9-22-18(14)25-26-19/h3-9H,1-2H3,(H2,22,23,24,25,26)
PDB
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US Patent
n/an/a 300n/an/an/an/a7.530



Vertex Pharmaceuticals Incorporated

US Patent


Assay Description
Compounds of the present invention were screened for their ability to inhibit GSK-3β (AA 1-420) activity using a standard coupled enzyme system ...


US Patent US8735593 (2014)


BindingDB Entry DOI: 10.7270/Q2H130PQ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%