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PubMed code 27043178

Compile data set for download or QSAR
Found 16 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
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM181101
PNG
(N-(3,4,5-trimethoxybenzylidene)-2-(3,6-dimethyl-1-...)
Show SMILES COc1cc(\C=N\NC(=O)COc2cc(C)nc3n(nc(C)c23)-c2ccccc2)cc(OC)c1OC
Show InChI InChI=1S/C26H27N5O5/c1-16-11-20(24-17(2)30-31(26(24)28-16)19-9-7-6-8-10-19)36-15-23(32)29-27-14-18-12-21(33-3)25(35-5)22(13-18)34-4/h6-14H,15H2,1-5H3,(H,29,32)/b27-14+
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n/an/a 4.18E+3n/an/an/an/an/an/a



Beni-Suef University



Assay Description
Kinase activity was determined using Kinase-Glo Plus luminescence kinase assay kit according to the manufacturer instructions. The assays depend on t...


Bioorg Chem 66: 88-96 (2016)


Article DOI: 10.1016/j.bioorg.2016.03.011
BindingDB Entry DOI: 10.7270/Q2VQ31GF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM181097
PNG
(N-(4-methoxybenzylidene)-2-(3,6-dimethyl-1-phenyl-...)
Show SMILES COc1ccc(\C=N\NC(=O)COc2cc(C)nc3n(nc(C)c23)-c2ccccc2)cc1
Show InChI InChI=1S/C24H23N5O3/c1-16-13-21(23-17(2)28-29(24(23)26-16)19-7-5-4-6-8-19)32-15-22(30)27-25-14-18-9-11-20(31-3)12-10-18/h4-14H,15H2,1-3H3,(H,27,30)/b25-14+
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n/an/a 4.72E+3n/an/an/an/an/an/a



Beni-Suef University



Assay Description
Kinase activity was determined using Kinase-Glo Plus luminescence kinase assay kit according to the manufacturer instructions. The assays depend on t...


Bioorg Chem 66: 88-96 (2016)


Article DOI: 10.1016/j.bioorg.2016.03.011
BindingDB Entry DOI: 10.7270/Q2VQ31GF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM181098
PNG
(N-(4-chlorobenzylidene)-2-(3,6-dimethyl-1-phenyl-1...)
Show SMILES Cc1nn(-c2ccccc2)c2nc(C)cc(OCC(=O)N\N=C\c3ccc(Cl)cc3)c12
Show InChI InChI=1S/C23H20ClN5O2/c1-15-12-20(31-14-21(30)27-25-13-17-8-10-18(24)11-9-17)22-16(2)28-29(23(22)26-15)19-6-4-3-5-7-19/h3-13H,14H2,1-2H3,(H,27,30)/b25-13+
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n/an/a 5.01E+3n/an/an/an/an/an/a



Beni-Suef University



Assay Description
Kinase activity was determined using Kinase-Glo Plus luminescence kinase assay kit according to the manufacturer instructions. The assays depend on t...


Bioorg Chem 66: 88-96 (2016)


Article DOI: 10.1016/j.bioorg.2016.03.011
BindingDB Entry DOI: 10.7270/Q2VQ31GF
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM181101
PNG
(N-(3,4,5-trimethoxybenzylidene)-2-(3,6-dimethyl-1-...)
Show SMILES COc1cc(\C=N\NC(=O)COc2cc(C)nc3n(nc(C)c23)-c2ccccc2)cc(OC)c1OC
Show InChI InChI=1S/C26H27N5O5/c1-16-11-20(24-17(2)30-31(26(24)28-16)19-9-7-6-8-10-19)36-15-23(32)29-27-14-18-12-21(33-3)25(35-5)22(13-18)34-4/h6-14H,15H2,1-5H3,(H,29,32)/b27-14+
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n/an/a 8.20E+3n/an/an/an/an/an/a



Beni-Suef University



Assay Description
Kinase activity was determined using Kinase-Glo Plus luminescence kinase assay kit according to the manufacturer instructions. The assays depend on t...


Bioorg Chem 66: 88-96 (2016)


Article DOI: 10.1016/j.bioorg.2016.03.011
BindingDB Entry DOI: 10.7270/Q2VQ31GF
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor


(Homo sapiens (human))
BDBM181101
PNG
(N-(3,4,5-trimethoxybenzylidene)-2-(3,6-dimethyl-1-...)
Show SMILES COc1cc(\C=N\NC(=O)COc2cc(C)nc3n(nc(C)c23)-c2ccccc2)cc(OC)c1OC
Show InChI InChI=1S/C26H27N5O5/c1-16-11-20(24-17(2)30-31(26(24)28-16)19-9-7-6-8-10-19)36-15-23(32)29-27-14-18-12-21(33-3)25(35-5)22(13-18)34-4/h6-14H,15H2,1-5H3,(H,29,32)/b27-14+
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n/an/a 8.37E+3n/an/an/an/an/an/a



Beni-Suef University



Assay Description
Kinase activity was determined using Kinase-Glo Plus luminescence kinase assay kit according to the manufacturer instructions. The assays depend on t...


Bioorg Chem 66: 88-96 (2016)


Article DOI: 10.1016/j.bioorg.2016.03.011
BindingDB Entry DOI: 10.7270/Q2VQ31GF
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (human))
BDBM181098
PNG
(N-(4-chlorobenzylidene)-2-(3,6-dimethyl-1-phenyl-1...)
Show SMILES Cc1nn(-c2ccccc2)c2nc(C)cc(OCC(=O)N\N=C\c3ccc(Cl)cc3)c12
Show InChI InChI=1S/C23H20ClN5O2/c1-15-12-20(31-14-21(30)27-25-13-17-8-10-18(24)11-9-17)22-16(2)28-29(23(22)26-15)19-6-4-3-5-7-19/h3-13H,14H2,1-2H3,(H,27,30)/b25-13+
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n/an/a 9.59E+3n/an/an/an/an/an/a



Beni-Suef University



Assay Description
Kinase activity was determined using Kinase-Glo Plus luminescence kinase assay kit according to the manufacturer instructions. The assays depend on t...


Bioorg Chem 66: 88-96 (2016)


Article DOI: 10.1016/j.bioorg.2016.03.011
BindingDB Entry DOI: 10.7270/Q2VQ31GF
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor


(Homo sapiens (human))
BDBM181097
PNG
(N-(4-methoxybenzylidene)-2-(3,6-dimethyl-1-phenyl-...)
Show SMILES COc1ccc(\C=N\NC(=O)COc2cc(C)nc3n(nc(C)c23)-c2ccccc2)cc1
Show InChI InChI=1S/C24H23N5O3/c1-16-13-21(23-17(2)28-29(24(23)26-16)19-7-5-4-6-8-19)32-15-22(30)27-25-14-18-9-11-20(31-3)12-10-18/h4-14H,15H2,1-3H3,(H,27,30)/b25-14+
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n/an/a 1.01E+4n/an/an/an/an/an/a



Beni-Suef University



Assay Description
Kinase activity was determined using Kinase-Glo Plus luminescence kinase assay kit according to the manufacturer instructions. The assays depend on t...


Bioorg Chem 66: 88-96 (2016)


Article DOI: 10.1016/j.bioorg.2016.03.011
BindingDB Entry DOI: 10.7270/Q2VQ31GF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM181095
PNG
(N-(4-Hydroxybenzylidene)-2-(3,6-dimethyl-1-phenyl-...)
Show SMILES Cc1nn(-c2ccccc2)c2nc(C)cc(OCC(=O)N\N=C\c3ccc(O)cc3)c12
Show InChI InChI=1S/C23H21N5O3/c1-15-12-20(31-14-21(30)26-24-13-17-8-10-19(29)11-9-17)22-16(2)27-28(23(22)25-15)18-6-4-3-5-7-18/h3-13,29H,14H2,1-2H3,(H,26,30)/b24-13+
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n/an/a 1.05E+4n/an/an/an/an/an/a



Beni-Suef University



Assay Description
Kinase activity was determined using Kinase-Glo Plus luminescence kinase assay kit according to the manufacturer instructions. The assays depend on t...


Bioorg Chem 66: 88-96 (2016)


Article DOI: 10.1016/j.bioorg.2016.03.011
BindingDB Entry DOI: 10.7270/Q2VQ31GF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM181099
PNG
(N-(4-chlorobenzylidene)-2-(3,6-dimethyl-1-phenyl-1...)
Show SMILES Cc1nn(-c2ccccc2)c2nc(C)cc(OCC(=O)N\N=C\c3ccc(cc3)[N+]([O-])=O)c12
Show InChI InChI=1S/C23H20N6O4/c1-15-12-20(22-16(2)27-28(23(22)25-15)18-6-4-3-5-7-18)33-14-21(30)26-24-13-17-8-10-19(11-9-17)29(31)32/h3-13H,14H2,1-2H3,(H,26,30)/b24-13+
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n/an/a 1.15E+4n/an/an/an/an/an/a



Beni-Suef University



Assay Description
Kinase activity was determined using Kinase-Glo Plus luminescence kinase assay kit according to the manufacturer instructions. The assays depend on t...


Bioorg Chem 66: 88-96 (2016)


Article DOI: 10.1016/j.bioorg.2016.03.011
BindingDB Entry DOI: 10.7270/Q2VQ31GF
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (human))
BDBM181101
PNG
(N-(3,4,5-trimethoxybenzylidene)-2-(3,6-dimethyl-1-...)
Show SMILES COc1cc(\C=N\NC(=O)COc2cc(C)nc3n(nc(C)c23)-c2ccccc2)cc(OC)c1OC
Show InChI InChI=1S/C26H27N5O5/c1-16-11-20(24-17(2)30-31(26(24)28-16)19-9-7-6-8-10-19)36-15-23(32)29-27-14-18-12-21(33-3)25(35-5)22(13-18)34-4/h6-14H,15H2,1-5H3,(H,29,32)/b27-14+
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n/an/a 1.20E+4n/an/an/an/an/an/a



Beni-Suef University



Assay Description
Kinase activity was determined using Kinase-Glo Plus luminescence kinase assay kit according to the manufacturer instructions. The assays depend on t...


Bioorg Chem 66: 88-96 (2016)


Article DOI: 10.1016/j.bioorg.2016.03.011
BindingDB Entry DOI: 10.7270/Q2VQ31GF
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM181097
PNG
(N-(4-methoxybenzylidene)-2-(3,6-dimethyl-1-phenyl-...)
Show SMILES COc1ccc(\C=N\NC(=O)COc2cc(C)nc3n(nc(C)c23)-c2ccccc2)cc1
Show InChI InChI=1S/C24H23N5O3/c1-16-13-21(23-17(2)28-29(24(23)26-16)19-7-5-4-6-8-19)32-15-22(30)27-25-14-18-9-11-20(31-3)12-10-18/h4-14H,15H2,1-3H3,(H,27,30)/b25-14+
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n/an/a 1.26E+4n/an/an/an/an/an/a



Beni-Suef University



Assay Description
Kinase activity was determined using Kinase-Glo Plus luminescence kinase assay kit according to the manufacturer instructions. The assays depend on t...


Bioorg Chem 66: 88-96 (2016)


Article DOI: 10.1016/j.bioorg.2016.03.011
BindingDB Entry DOI: 10.7270/Q2VQ31GF
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (human))
BDBM181097
PNG
(N-(4-methoxybenzylidene)-2-(3,6-dimethyl-1-phenyl-...)
Show SMILES COc1ccc(\C=N\NC(=O)COc2cc(C)nc3n(nc(C)c23)-c2ccccc2)cc1
Show InChI InChI=1S/C24H23N5O3/c1-16-13-21(23-17(2)28-29(24(23)26-16)19-7-5-4-6-8-19)32-15-22(30)27-25-14-18-9-11-20(31-3)12-10-18/h4-14H,15H2,1-3H3,(H,27,30)/b25-14+
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n/an/a 1.29E+4n/an/an/an/an/an/a



Beni-Suef University



Assay Description
Kinase activity was determined using Kinase-Glo Plus luminescence kinase assay kit according to the manufacturer instructions. The assays depend on t...


Bioorg Chem 66: 88-96 (2016)


Article DOI: 10.1016/j.bioorg.2016.03.011
BindingDB Entry DOI: 10.7270/Q2VQ31GF
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor


(Homo sapiens (human))
BDBM181098
PNG
(N-(4-chlorobenzylidene)-2-(3,6-dimethyl-1-phenyl-1...)
Show SMILES Cc1nn(-c2ccccc2)c2nc(C)cc(OCC(=O)N\N=C\c3ccc(Cl)cc3)c12
Show InChI InChI=1S/C23H20ClN5O2/c1-15-12-20(31-14-21(30)27-25-13-17-8-10-18(24)11-9-17)22-16(2)28-29(23(22)26-15)19-6-4-3-5-7-19/h3-13H,14H2,1-2H3,(H,27,30)/b25-13+
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n/an/a 1.29E+4n/an/an/an/an/an/a



Beni-Suef University



Assay Description
Kinase activity was determined using Kinase-Glo Plus luminescence kinase assay kit according to the manufacturer instructions. The assays depend on t...


Bioorg Chem 66: 88-96 (2016)


Article DOI: 10.1016/j.bioorg.2016.03.011
BindingDB Entry DOI: 10.7270/Q2VQ31GF
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM181098
PNG
(N-(4-chlorobenzylidene)-2-(3,6-dimethyl-1-phenyl-1...)
Show SMILES Cc1nn(-c2ccccc2)c2nc(C)cc(OCC(=O)N\N=C\c3ccc(Cl)cc3)c12
Show InChI InChI=1S/C23H20ClN5O2/c1-15-12-20(31-14-21(30)27-25-13-17-8-10-18(24)11-9-17)22-16(2)28-29(23(22)26-15)19-6-4-3-5-7-19/h3-13H,14H2,1-2H3,(H,27,30)/b25-13+
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n/an/a 1.76E+4n/an/an/an/an/an/a



Beni-Suef University



Assay Description
Kinase activity was determined using Kinase-Glo Plus luminescence kinase assay kit according to the manufacturer instructions. The assays depend on t...


Bioorg Chem 66: 88-96 (2016)


Article DOI: 10.1016/j.bioorg.2016.03.011
BindingDB Entry DOI: 10.7270/Q2VQ31GF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM181096
PNG
(N-(4-fluorobenzylidene)-2-(3,6-dimethyl-1-phenyl-1...)
Show SMILES Cc1nn(-c2ccccc2)c2nc(C)cc(OCC(=O)N\N=C\c3ccc(F)cc3)c12
Show InChI InChI=1S/C23H20FN5O2/c1-15-12-20(31-14-21(30)27-25-13-17-8-10-18(24)11-9-17)22-16(2)28-29(23(22)26-15)19-6-4-3-5-7-19/h3-13H,14H2,1-2H3,(H,27,30)/b25-13+
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n/an/a 3.00E+4n/an/an/an/an/an/a



Beni-Suef University



Assay Description
Kinase activity was determined using Kinase-Glo Plus luminescence kinase assay kit according to the manufacturer instructions. The assays depend on t...


Bioorg Chem 66: 88-96 (2016)


Article DOI: 10.1016/j.bioorg.2016.03.011
BindingDB Entry DOI: 10.7270/Q2VQ31GF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM181100
PNG
(N-(4-Trifluoromethylbenzylidene)-2-(3,6-dimethyl-1...)
Show SMILES Cc1nn(-c2ccccc2)c2nc(C)cc(OCC(=O)N\N=C\c3ccc(cc3)C(F)(F)F)c12
Show InChI InChI=1S/C24H20F3N5O2/c1-15-12-20(22-16(2)31-32(23(22)29-15)19-6-4-3-5-7-19)34-14-21(33)30-28-13-17-8-10-18(11-9-17)24(25,26)27/h3-13H,14H2,1-2H3,(H,30,33)/b28-13+
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n/an/a 3.59E+4n/an/an/an/an/an/a



Beni-Suef University



Assay Description
Kinase activity was determined using Kinase-Glo Plus luminescence kinase assay kit according to the manufacturer instructions. The assays depend on t...


Bioorg Chem 66: 88-96 (2016)


Article DOI: 10.1016/j.bioorg.2016.03.011
BindingDB Entry DOI: 10.7270/Q2VQ31GF
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%