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Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with all data for entry = 6692   
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 beta


(Homo sapiens (Human))
BDBM147463
PNG
(US8957103, D)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1cn(CCOC(=O)C(N)CC(C)C)c2ccccc12 |t:13|
Show InChI InChI=1/C29H33N3O7/c1-16(2)12-20(30)29(35)39-11-10-32-15-19(18-8-6-7-9-21(18)32)25-24(27(33)31-28(25)34)17-13-22(36-3)26(38-5)23(14-17)37-4/h6-9,13-16,20H,10-12,30H2,1-5H3,(H,31,33,34)
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n/an/a 12n/an/an/an/an/an/a



Johannes Gutenberg—Universitat Mainz

US Patent


Assay Description
The effect of test compounds on the activity of the protein kinases GSK-3β, VEGFR-2 and FLT-3 was evaluated based on half maximal inhibitory con...


US Patent US8957103 (2015)


BindingDB Entry DOI: 10.7270/Q2SJ1J99
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM47167
PNG
(CHEMBL201511 | US8957103, Z1 | US9364459, A)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 |t:13|
Show InChI InChI=1S/C21H18N2O5/c1-26-15-8-11(9-16(27-2)19(15)28-3)17-18(21(25)23-20(17)24)13-10-22-14-7-5-4-6-12(13)14/h4-10,22H,1-3H3,(H,23,24,25)
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n/an/a 90n/an/an/an/an/an/a



Johannes Gutenberg—Universitat Mainz

US Patent


Assay Description
The effect of test compounds on the activity of the protein kinases GSK-3β, VEGFR-2 and FLT-3 was evaluated based on half maximal inhibitory con...


US Patent US8957103 (2015)


BindingDB Entry DOI: 10.7270/Q2SJ1J99
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM147461
PNG
(US8957103, C)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1cn(CCCOC(=O)C(N)CC(C)C)c2ccccc12 |t:13|
Show InChI InChI=1/C30H35N3O7/c1-17(2)13-21(31)30(36)40-12-8-11-33-16-20(19-9-6-7-10-22(19)33)26-25(28(34)32-29(26)35)18-14-23(37-3)27(39-5)24(15-18)38-4/h6-7,9-10,14-17,21H,8,11-13,31H2,1-5H3,(H,32,34,35)
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n/an/a 134n/an/an/an/an/an/a



Johannes Gutenberg—Universitat Mainz

US Patent


Assay Description
The effect of test compounds on the activity of the protein kinases GSK-3β, VEGFR-2 and FLT-3 was evaluated based on half maximal inhibitory con...


US Patent US8957103 (2015)


BindingDB Entry DOI: 10.7270/Q2SJ1J99
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM47165
PNG
(US8957103, C1 | US9364459, I)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1cn(CCCO)c2ccccc12 |t:13|
Show InChI InChI=1S/C24H24N2O6/c1-30-18-11-14(12-19(31-2)22(18)32-3)20-21(24(29)25-23(20)28)16-13-26(9-6-10-27)17-8-5-4-7-15(16)17/h4-5,7-8,11-13,27H,6,9-10H2,1-3H3,(H,25,28,29)
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n/an/a 153n/an/an/an/an/an/a



Johannes Gutenberg—Universitat Mainz

US Patent


Assay Description
The effect of test compounds on the activity of the protein kinases GSK-3β, VEGFR-2 and FLT-3 was evaluated based on half maximal inhibitory con...


US Patent US8957103 (2015)


BindingDB Entry DOI: 10.7270/Q2SJ1J99
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM47163
PNG
(US8957103, A)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1cn(CCCNC(=O)C(N)CC(C)C)c2ccccc12 |t:13|
Show InChI InChI=1/C30H36N4O6/c1-17(2)13-21(31)28(35)32-11-8-12-34-16-20(19-9-6-7-10-22(19)34)26-25(29(36)33-30(26)37)18-14-23(38-3)27(40-5)24(15-18)39-4/h6-7,9-10,14-17,21H,8,11-13,31H2,1-5H3,(H,32,35)(H,33,36,37)
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n/an/a 208n/an/an/an/an/an/a



Johannes Gutenberg—Universitat Mainz

US Patent


Assay Description
The effect of test compounds on the activity of the protein kinases GSK-3β, VEGFR-2 and FLT-3 was evaluated based on half maximal inhibitory con...


US Patent US8957103 (2015)


BindingDB Entry DOI: 10.7270/Q2SJ1J99
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM147463
PNG
(US8957103, D)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1cn(CCOC(=O)C(N)CC(C)C)c2ccccc12 |t:13|
Show InChI InChI=1/C29H33N3O7/c1-16(2)12-20(30)29(35)39-11-10-32-15-19(18-8-6-7-9-21(18)32)25-24(27(33)31-28(25)34)17-13-22(36-3)26(38-5)23(14-17)37-4/h6-9,13-16,20H,10-12,30H2,1-5H3,(H,31,33,34)
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n/an/a 239n/an/an/an/an/an/a



Johannes Gutenberg—Universitat Mainz

US Patent


Assay Description
The effect of test compounds on the activity of the protein kinases GSK-3β, VEGFR-2 and FLT-3 was evaluated based on half maximal inhibitory con...


US Patent US8957103 (2015)


BindingDB Entry DOI: 10.7270/Q2SJ1J99
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM147463
PNG
(US8957103, D)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1cn(CCOC(=O)C(N)CC(C)C)c2ccccc12 |t:13|
Show InChI InChI=1/C29H33N3O7/c1-16(2)12-20(30)29(35)39-11-10-32-15-19(18-8-6-7-9-21(18)32)25-24(27(33)31-28(25)34)17-13-22(36-3)26(38-5)23(14-17)37-4/h6-9,13-16,20H,10-12,30H2,1-5H3,(H,31,33,34)
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n/an/a 251n/an/an/an/an/an/a



Johannes Gutenberg—Universitat Mainz

US Patent


Assay Description
The effect of test compounds on the activity of the protein kinases GSK-3β, VEGFR-2 and FLT-3 was evaluated based on half maximal inhibitory con...


US Patent US8957103 (2015)


BindingDB Entry DOI: 10.7270/Q2SJ1J99
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM47167
PNG
(CHEMBL201511 | US8957103, Z1 | US9364459, A)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 |t:13|
Show InChI InChI=1S/C21H18N2O5/c1-26-15-8-11(9-16(27-2)19(15)28-3)17-18(21(25)23-20(17)24)13-10-22-14-7-5-4-6-12(13)14/h4-10,22H,1-3H3,(H,23,24,25)
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n/an/a 270n/an/an/an/an/an/a



Johannes Gutenberg—Universitat Mainz

US Patent


Assay Description
The effect of test compounds on the activity of the protein kinases GSK-3β, VEGFR-2 and FLT-3 was evaluated based on half maximal inhibitory con...


US Patent US8957103 (2015)


BindingDB Entry DOI: 10.7270/Q2SJ1J99
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM147461
PNG
(US8957103, C)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1cn(CCCOC(=O)C(N)CC(C)C)c2ccccc12 |t:13|
Show InChI InChI=1/C30H35N3O7/c1-17(2)13-21(31)30(36)40-12-8-11-33-16-20(19-9-6-7-10-22(19)33)26-25(28(34)32-29(26)35)18-14-23(37-3)27(39-5)24(15-18)38-4/h6-7,9-10,14-17,21H,8,11-13,31H2,1-5H3,(H,32,34,35)
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n/an/a 480n/an/an/an/an/an/a



Johannes Gutenberg—Universitat Mainz

US Patent


Assay Description
The effect of test compounds on the activity of the protein kinases GSK-3β, VEGFR-2 and FLT-3 was evaluated based on half maximal inhibitory con...


US Patent US8957103 (2015)


BindingDB Entry DOI: 10.7270/Q2SJ1J99
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM47165
PNG
(US8957103, C1 | US9364459, I)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1cn(CCCO)c2ccccc12 |t:13|
Show InChI InChI=1S/C24H24N2O6/c1-30-18-11-14(12-19(31-2)22(18)32-3)20-21(24(29)25-23(20)28)16-13-26(9-6-10-27)17-8-5-4-7-15(16)17/h4-5,7-8,11-13,27H,6,9-10H2,1-3H3,(H,25,28,29)
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n/an/a 554n/an/an/an/an/an/a



Johannes Gutenberg—Universitat Mainz

US Patent


Assay Description
The effect of test compounds on the activity of the protein kinases GSK-3β, VEGFR-2 and FLT-3 was evaluated based on half maximal inhibitory con...


US Patent US8957103 (2015)


BindingDB Entry DOI: 10.7270/Q2SJ1J99
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM47165
PNG
(US8957103, C1 | US9364459, I)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1cn(CCCO)c2ccccc12 |t:13|
Show InChI InChI=1S/C24H24N2O6/c1-30-18-11-14(12-19(31-2)22(18)32-3)20-21(24(29)25-23(20)28)16-13-26(9-6-10-27)17-8-5-4-7-15(16)17/h4-5,7-8,11-13,27H,6,9-10H2,1-3H3,(H,25,28,29)
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n/an/a 556n/an/an/an/an/an/a



Johannes Gutenberg—Universitat Mainz

US Patent


Assay Description
The effect of test compounds on the activity of the protein kinases GSK-3β, VEGFR-2 and FLT-3 was evaluated based on half maximal inhibitory con...


US Patent US8957103 (2015)


BindingDB Entry DOI: 10.7270/Q2SJ1J99
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM47165
PNG
(US8957103, C1 | US9364459, I)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1cn(CCCO)c2ccccc12 |t:13|
Show InChI InChI=1S/C24H24N2O6/c1-30-18-11-14(12-19(31-2)22(18)32-3)20-21(24(29)25-23(20)28)16-13-26(9-6-10-27)17-8-5-4-7-15(16)17/h4-5,7-8,11-13,27H,6,9-10H2,1-3H3,(H,25,28,29)
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n/an/a 920n/an/an/an/an/an/a



Johannes Gutenberg—Universitat Mainz

US Patent


Assay Description
The effect of test compounds on the activity of the protein kinases GSK-3β, VEGFR-2 and FLT-3 was evaluated based on half maximal inhibitory con...


US Patent US8957103 (2015)


BindingDB Entry DOI: 10.7270/Q2SJ1J99
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM47163
PNG
(US8957103, A)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1cn(CCCNC(=O)C(N)CC(C)C)c2ccccc12 |t:13|
Show InChI InChI=1/C30H36N4O6/c1-17(2)13-21(31)28(35)32-11-8-12-34-16-20(19-9-6-7-10-22(19)34)26-25(29(36)33-30(26)37)18-14-23(38-3)27(40-5)24(15-18)39-4/h6-7,9-10,14-17,21H,8,11-13,31H2,1-5H3,(H,32,35)(H,33,36,37)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Johannes Gutenberg—Universitat Mainz

US Patent


Assay Description
The effect of test compounds on the activity of the protein kinases GSK-3β, VEGFR-2 and FLT-3 was evaluated based on half maximal inhibitory con...


US Patent US8957103 (2015)


BindingDB Entry DOI: 10.7270/Q2SJ1J99
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM47163
PNG
(US8957103, A)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1cn(CCCNC(=O)C(N)CC(C)C)c2ccccc12 |t:13|
Show InChI InChI=1/C30H36N4O6/c1-17(2)13-21(31)28(35)32-11-8-12-34-16-20(19-9-6-7-10-22(19)34)26-25(29(36)33-30(26)37)18-14-23(38-3)27(40-5)24(15-18)39-4/h6-7,9-10,14-17,21H,8,11-13,31H2,1-5H3,(H,32,35)(H,33,36,37)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Johannes Gutenberg—Universitat Mainz

US Patent


Assay Description
The effect of test compounds on the activity of the protein kinases GSK-3β, VEGFR-2 and FLT-3 was evaluated based on half maximal inhibitory con...


US Patent US8957103 (2015)


BindingDB Entry DOI: 10.7270/Q2SJ1J99
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM47167
PNG
(CHEMBL201511 | US8957103, Z1 | US9364459, A)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 |t:13|
Show InChI InChI=1S/C21H18N2O5/c1-26-15-8-11(9-16(27-2)19(15)28-3)17-18(21(25)23-20(17)24)13-10-22-14-7-5-4-6-12(13)14/h4-10,22H,1-3H3,(H,23,24,25)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Johannes Gutenberg—Universitat Mainz

US Patent


Assay Description
The effect of test compounds on the activity of the protein kinases GSK-3β, VEGFR-2 and FLT-3 was evaluated based on half maximal inhibitory con...


US Patent US8957103 (2015)


BindingDB Entry DOI: 10.7270/Q2SJ1J99
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM147461
PNG
(US8957103, C)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1cn(CCCOC(=O)C(N)CC(C)C)c2ccccc12 |t:13|
Show InChI InChI=1/C30H35N3O7/c1-17(2)13-21(31)30(36)40-12-8-11-33-16-20(19-9-6-7-10-22(19)33)26-25(28(34)32-29(26)35)18-14-23(37-3)27(39-5)24(15-18)38-4/h6-7,9-10,14-17,21H,8,11-13,31H2,1-5H3,(H,32,34,35)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Johannes Gutenberg—Universitat Mainz

US Patent


Assay Description
The effect of test compounds on the activity of the protein kinases GSK-3β, VEGFR-2 and FLT-3 was evaluated based on half maximal inhibitory con...


US Patent US8957103 (2015)


BindingDB Entry DOI: 10.7270/Q2SJ1J99
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM47165
PNG
(US8957103, C1 | US9364459, I)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1cn(CCCO)c2ccccc12 |t:13|
Show InChI InChI=1S/C24H24N2O6/c1-30-18-11-14(12-19(31-2)22(18)32-3)20-21(24(29)25-23(20)28)16-13-26(9-6-10-27)17-8-5-4-7-15(16)17/h4-5,7-8,11-13,27H,6,9-10H2,1-3H3,(H,25,28,29)
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n/an/a 2.25E+3n/an/an/an/an/an/a



Johannes Gutenberg—Universitat Mainz

US Patent


Assay Description
The effect of test compounds on the activity of the protein kinases GSK-3β, VEGFR-2 and FLT-3 was evaluated based on half maximal inhibitory con...


US Patent US8957103 (2015)


BindingDB Entry DOI: 10.7270/Q2SJ1J99
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM47165
PNG
(US8957103, C1 | US9364459, I)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1cn(CCCO)c2ccccc12 |t:13|
Show InChI InChI=1S/C24H24N2O6/c1-30-18-11-14(12-19(31-2)22(18)32-3)20-21(24(29)25-23(20)28)16-13-26(9-6-10-27)17-8-5-4-7-15(16)17/h4-5,7-8,11-13,27H,6,9-10H2,1-3H3,(H,25,28,29)
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n/an/a 3.39E+3n/an/an/an/an/an/a



Johannes Gutenberg—Universitat Mainz

US Patent


Assay Description
The effect of test compounds on the activity of the protein kinases GSK-3β, VEGFR-2 and FLT-3 was evaluated based on half maximal inhibitory con...


US Patent US8957103 (2015)


BindingDB Entry DOI: 10.7270/Q2SJ1J99
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