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Patent code US9409845

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
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM5446
PNG
(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)
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US Patent
n/an/a 30n/an/an/an/an/an/a



PHARMAXYN LABORATORIES LTD.

US Patent


Assay Description
The kinase activity of EGFR was detected according to time-resolved fluorescence detection technology to evaluate automatic phosphorylation levels. T...


US Patent US9409845 (2016)


BindingDB Entry DOI: 10.7270/Q25M64MC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50424964
PNG
(CHEMBL2316151 | US9409845, Table 1, Compound 12: (...)
Show SMILES COc1cc(OC)cc(\C=C2/CCC\C(=C/c3ccc(O)c(O)c3)C2=O)c1
Show InChI InChI=1S/C22H22O5/c1-26-18-10-15(11-19(13-18)27-2)9-17-5-3-4-16(22(17)25)8-14-6-7-20(23)21(24)12-14/h6-13,23-24H,3-5H2,1-2H3/b16-8+,17-9+
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n/an/a 430n/an/an/an/an/an/a



PHARMAXYN LABORATORIES LTD.

US Patent


Assay Description
The kinase activity of EGFR was detected according to time-resolved fluorescence detection technology to evaluate automatic phosphorylation levels. T...


US Patent US9409845 (2016)


BindingDB Entry DOI: 10.7270/Q25M64MC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50424973
PNG
(CHEMBL2316142 | US9409845, Table 1, Compound 3: (2...)
Show SMILES COc1cc(OC)cc(\C=C2/CCC\C(=C/c3ccccc3Cl)C2=O)c1
Show InChI InChI=1S/C22H21ClO3/c1-25-19-11-15(12-20(14-19)26-2)10-17-7-5-8-18(22(17)24)13-16-6-3-4-9-21(16)23/h3-4,6,9-14H,5,7-8H2,1-2H3/b17-10+,18-13+
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n/an/a 1.54E+3n/an/an/an/an/an/a



PHARMAXYN LABORATORIES LTD.

US Patent


Assay Description
The kinase activity of EGFR was detected according to time-resolved fluorescence detection technology to evaluate automatic phosphorylation levels. T...


US Patent US9409845 (2016)


BindingDB Entry DOI: 10.7270/Q25M64MC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50424975
PNG
(CHEMBL2316140 | US9409845, Table 1, Compound 1: (2...)
Show SMILES COc1cc(OC)cc(\C=C2/CCC\C(=C/c3ccccc3)C2=O)c1
Show InChI InChI=1S/C22H22O3/c1-24-20-13-17(14-21(15-20)25-2)12-19-10-6-9-18(22(19)23)11-16-7-4-3-5-8-16/h3-5,7-8,11-15H,6,9-10H2,1-2H3/b18-11+,19-12+
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n/an/a 1.68E+3n/an/an/an/an/an/a



PHARMAXYN LABORATORIES LTD.

US Patent


Assay Description
The kinase activity of EGFR was detected according to time-resolved fluorescence detection technology to evaluate automatic phosphorylation levels. T...


US Patent US9409845 (2016)


BindingDB Entry DOI: 10.7270/Q25M64MC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50424957
PNG
(CHEMBL2316158 | US9409845, Table 1, Compound 19: (...)
Show SMILES COc1cc(OC)cc(\C=C2/CCC\C(=C/c3ccc(cc3)S(C)(=O)=O)C2=O)c1
Show InChI InChI=1S/C23H24O5S/c1-27-20-13-17(14-21(15-20)28-2)12-19-6-4-5-18(23(19)24)11-16-7-9-22(10-8-16)29(3,25)26/h7-15H,4-6H2,1-3H3/b18-11+,19-12+
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n/an/a 1.96E+3n/an/an/an/an/an/a



PHARMAXYN LABORATORIES LTD.

US Patent


Assay Description
The kinase activity of EGFR was detected according to time-resolved fluorescence detection technology to evaluate automatic phosphorylation levels. T...


US Patent US9409845 (2016)


BindingDB Entry DOI: 10.7270/Q25M64MC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50424958
PNG
(CHEMBL2316157 | US9409845, Table 1, Compound 18: (...)
Show SMILES COc1cc(OC)cc(\C=C2/CCC\C(=C/c3cc(OC)cc(OC)c3)C2=O)c1
Show InChI InChI=1S/C24H26O5/c1-26-20-10-16(11-21(14-20)27-2)8-18-6-5-7-19(24(18)25)9-17-12-22(28-3)15-23(13-17)29-4/h8-15H,5-7H2,1-4H3/b18-8+,19-9+
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n/an/a 2.08E+3n/an/an/an/an/an/a



PHARMAXYN LABORATORIES LTD.

US Patent


Assay Description
The kinase activity of EGFR was detected according to time-resolved fluorescence detection technology to evaluate automatic phosphorylation levels. T...


US Patent US9409845 (2016)


BindingDB Entry DOI: 10.7270/Q25M64MC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50424972
PNG
(CHEMBL2316143 | US9409845, Table 1, Compound 4: (2...)
Show SMILES COc1cc(OC)cc(\C=C2/CCC\C(=C/c3ccccc3F)C2=O)c1
Show InChI InChI=1S/C22H21FO3/c1-25-19-11-15(12-20(14-19)26-2)10-17-7-5-8-18(22(17)24)13-16-6-3-4-9-21(16)23/h3-4,6,9-14H,5,7-8H2,1-2H3/b17-10+,18-13+
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n/an/a 2.17E+3n/an/an/an/an/an/a



PHARMAXYN LABORATORIES LTD.

US Patent


Assay Description
The kinase activity of EGFR was detected according to time-resolved fluorescence detection technology to evaluate automatic phosphorylation levels. T...


US Patent US9409845 (2016)


BindingDB Entry DOI: 10.7270/Q25M64MC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50424974
PNG
(CHEMBL2316141 | US9409845, Table 1, Compound 2: (2...)
Show SMILES COc1cc(OC)cc(\C=C2/CCC\C(=C/c3cccc(Cl)c3)C2=O)c1
Show InChI InChI=1S/C22H21ClO3/c1-25-20-12-16(13-21(14-20)26-2)10-18-7-4-6-17(22(18)24)9-15-5-3-8-19(23)11-15/h3,5,8-14H,4,6-7H2,1-2H3/b17-9+,18-10+
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n/an/a 2.27E+3n/an/an/an/an/an/a



PHARMAXYN LABORATORIES LTD.

US Patent


Assay Description
The kinase activity of EGFR was detected according to time-resolved fluorescence detection technology to evaluate automatic phosphorylation levels. T...


US Patent US9409845 (2016)


BindingDB Entry DOI: 10.7270/Q25M64MC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50424961
PNG
(CHEMBL2316154 | US9409845, Table 1, Compound 15: (...)
Show SMILES COc1cc(OC)cc(\C=C2/CCC\C(=C/c3ccc(cc3)N(C)C)C2=O)c1
Show InChI InChI=1S/C24H27NO3/c1-25(2)21-10-8-17(9-11-21)12-19-6-5-7-20(24(19)26)13-18-14-22(27-3)16-23(15-18)28-4/h8-16H,5-7H2,1-4H3/b19-12+,20-13+
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n/an/a 3.98E+3n/an/an/an/an/an/a



PHARMAXYN LABORATORIES LTD.

US Patent


Assay Description
The kinase activity of EGFR was detected according to time-resolved fluorescence detection technology to evaluate automatic phosphorylation levels. T...


US Patent US9409845 (2016)


BindingDB Entry DOI: 10.7270/Q25M64MC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50424962
PNG
(CHEMBL2316153 | US9409845, Table 1, Compound 14: (...)
Show SMILES COc1cc(OC)cc(\C=C2/CCC\C(=C/c3ccc(O)cc3)C2=O)c1
Show InChI InChI=1S/C22H22O4/c1-25-20-12-16(13-21(14-20)26-2)11-18-5-3-4-17(22(18)24)10-15-6-8-19(23)9-7-15/h6-14,23H,3-5H2,1-2H3/b17-10+,18-11+
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n/an/a 4.66E+3n/an/an/an/an/an/a



PHARMAXYN LABORATORIES LTD.

US Patent


Assay Description
The kinase activity of EGFR was detected according to time-resolved fluorescence detection technology to evaluate automatic phosphorylation levels. T...


US Patent US9409845 (2016)


BindingDB Entry DOI: 10.7270/Q25M64MC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50424956
PNG
(CHEMBL2316159 | US9409845, Table 1, Compound 20: (...)
Show SMILES COc1cc(OC)cc(\C=C2/CCC\C(=C/c3cc(c(O)c(c3)C(C)(C)C)C(C)(C)C)C2=O)c1
Show InChI InChI=1S/C30H38O4/c1-29(2,3)25-16-20(17-26(28(25)32)30(4,5)6)13-22-11-9-10-21(27(22)31)12-19-14-23(33-7)18-24(15-19)34-8/h12-18,32H,9-11H2,1-8H3/b21-12+,22-13+
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n/an/a 4.81E+3n/an/an/an/an/an/a



PHARMAXYN LABORATORIES LTD.

US Patent


Assay Description
The kinase activity of EGFR was detected according to time-resolved fluorescence detection technology to evaluate automatic phosphorylation levels. T...


US Patent US9409845 (2016)


BindingDB Entry DOI: 10.7270/Q25M64MC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50424960
PNG
(CHEMBL2316155 | US9409845, Table 1, Compound 16: (...)
Show SMILES COc1cc(OC)cc(\C=C2/CCC\C(=C/c3ccc(OC)c(O)c3)C2=O)c1
Show InChI InChI=1S/C23H24O5/c1-26-19-11-16(12-20(14-19)27-2)10-18-6-4-5-17(23(18)25)9-15-7-8-22(28-3)21(24)13-15/h7-14,24H,4-6H2,1-3H3/b17-9+,18-10+
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n/an/a 5.37E+3n/an/an/an/an/an/a



PHARMAXYN LABORATORIES LTD.

US Patent


Assay Description
The kinase activity of EGFR was detected according to time-resolved fluorescence detection technology to evaluate automatic phosphorylation levels. T...


US Patent US9409845 (2016)


BindingDB Entry DOI: 10.7270/Q25M64MC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50424968
PNG
(CHEMBL2316147 | US9409845, Table 1, Compound 8: (2...)
Show SMILES COc1cc(OC)cc(\C=C2/CCC\C(=C/c3ccc(F)cc3)C2=O)c1
Show InChI InChI=1S/C22H21FO3/c1-25-20-12-16(13-21(14-20)26-2)11-18-5-3-4-17(22(18)24)10-15-6-8-19(23)9-7-15/h6-14H,3-5H2,1-2H3/b17-10+,18-11+
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n/an/a 5.69E+3n/an/an/an/an/an/a



PHARMAXYN LABORATORIES LTD.

US Patent


Assay Description
The kinase activity of EGFR was detected according to time-resolved fluorescence detection technology to evaluate automatic phosphorylation levels. T...


US Patent US9409845 (2016)


BindingDB Entry DOI: 10.7270/Q25M64MC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50424965
PNG
(CHEMBL2316150 | US9409845, Table 1, Compound 11: (...)
Show SMILES COc1cccc(\C=C2/CCC\C(=C/c3cc(OC)cc(OC)c3)C2=O)c1
Show InChI InChI=1S/C23H24O4/c1-25-20-9-4-6-16(12-20)10-18-7-5-8-19(23(18)24)11-17-13-21(26-2)15-22(14-17)27-3/h4,6,9-15H,5,7-8H2,1-3H3/b18-10+,19-11+
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n/an/a 6.13E+3n/an/an/an/an/an/a



PHARMAXYN LABORATORIES LTD.

US Patent


Assay Description
The kinase activity of EGFR was detected according to time-resolved fluorescence detection technology to evaluate automatic phosphorylation levels. T...


US Patent US9409845 (2016)


BindingDB Entry DOI: 10.7270/Q25M64MC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50424970
PNG
(CHEMBL2316145 | US9409845, Table 1, Compound 6: (2...)
Show SMILES COc1cc(OC)cc(\C=C2/CCC\C(=C/c3cccc(Br)c3)C2=O)c1
Show InChI InChI=1S/C22H21BrO3/c1-25-20-12-16(13-21(14-20)26-2)10-18-7-4-6-17(22(18)24)9-15-5-3-8-19(23)11-15/h3,5,8-14H,4,6-7H2,1-2H3/b17-9+,18-10+
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n/an/a 6.85E+3n/an/an/an/an/an/a



PHARMAXYN LABORATORIES LTD.

US Patent


Assay Description
The kinase activity of EGFR was detected according to time-resolved fluorescence detection technology to evaluate automatic phosphorylation levels. T...


US Patent US9409845 (2016)


BindingDB Entry DOI: 10.7270/Q25M64MC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50424969
PNG
(CHEMBL2316146 | US9409845, Table 1, Compound 7: (2...)
Show SMILES COc1cc(OC)cc(\C=C2/CCC\C(=C/c3ccc(Br)cc3)C2=O)c1
Show InChI InChI=1S/C22H21BrO3/c1-25-20-12-16(13-21(14-20)26-2)11-18-5-3-4-17(22(18)24)10-15-6-8-19(23)9-7-15/h6-14H,3-5H2,1-2H3/b17-10+,18-11+
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n/an/a 7.12E+3n/an/an/an/an/an/a



PHARMAXYN LABORATORIES LTD.

US Patent


Assay Description
The kinase activity of EGFR was detected according to time-resolved fluorescence detection technology to evaluate automatic phosphorylation levels. T...


US Patent US9409845 (2016)


BindingDB Entry DOI: 10.7270/Q25M64MC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50424966
PNG
(CHEMBL2316149 | US9409845, Table 1, Compound 10: (...)
Show SMILES COc1cc(OC)cc(\C=C2/CCC\C(=C/C3CCCCC3)C2=O)c1
Show InChI InChI=1S/C22H28O3/c1-24-20-13-17(14-21(15-20)25-2)12-19-10-6-9-18(22(19)23)11-16-7-4-3-5-8-16/h11-16H,3-10H2,1-2H3/b18-11+,19-12+
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n/an/a 7.52E+3n/an/an/an/an/an/a



PHARMAXYN LABORATORIES LTD.

US Patent


Assay Description
The kinase activity of EGFR was detected according to time-resolved fluorescence detection technology to evaluate automatic phosphorylation levels. T...


US Patent US9409845 (2016)


BindingDB Entry DOI: 10.7270/Q25M64MC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50424971
PNG
(CHEMBL2316144 | US9409845, Table 1, Compound 5: (2...)
Show SMILES COc1cc(OC)cc(\C=C2/CCC\C(=C/c3ccccc3Br)C2=O)c1
Show InChI InChI=1S/C22H21BrO3/c1-25-19-11-15(12-20(14-19)26-2)10-17-7-5-8-18(22(17)24)13-16-6-3-4-9-21(16)23/h3-4,6,9-14H,5,7-8H2,1-2H3/b17-10+,18-13+
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n/an/a 8.08E+3n/an/an/an/an/an/a



PHARMAXYN LABORATORIES LTD.

US Patent


Assay Description
The kinase activity of EGFR was detected according to time-resolved fluorescence detection technology to evaluate automatic phosphorylation levels. T...


US Patent US9409845 (2016)


BindingDB Entry DOI: 10.7270/Q25M64MC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50140172
PNG
(CHEBI:3962 | CHEMBL140 | Curcumin | US9409845, Tab...)
Show SMILES COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O
Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+
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n/an/a 8.65E+3n/an/an/an/an/an/a



PHARMAXYN LABORATORIES LTD.

US Patent


Assay Description
The kinase activity of EGFR was detected according to time-resolved fluorescence detection technology to evaluate automatic phosphorylation levels. T...


US Patent US9409845 (2016)


BindingDB Entry DOI: 10.7270/Q25M64MC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50424967
PNG
(CHEMBL2316148 | US9409845, Table 1, Compound 9: (2...)
Show SMILES COc1cc(OC)cc(\C=C2/CCC\C(=C/c3ccc(Cl)cc3)C2=O)c1
Show InChI InChI=1S/C22H21ClO3/c1-25-20-12-16(13-21(14-20)26-2)11-18-5-3-4-17(22(18)24)10-15-6-8-19(23)9-7-15/h6-14H,3-5H2,1-2H3/b17-10+,18-11+
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n/an/a 1.53E+4n/an/an/an/an/an/a



PHARMAXYN LABORATORIES LTD.

US Patent


Assay Description
The kinase activity of EGFR was detected according to time-resolved fluorescence detection technology to evaluate automatic phosphorylation levels. T...


US Patent US9409845 (2016)


BindingDB Entry DOI: 10.7270/Q25M64MC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM239058
PNG
(US9409845, Table 1, Compound 17: (2E,6E)-2-di-(3,5...)
Show SMILES COc1cc(OC)cc(\C=C2/CCCCC2=O)c1
Show InChI InChI=1S/C15H18O3/c1-17-13-8-11(9-14(10-13)18-2)7-12-5-3-4-6-15(12)16/h7-10H,3-6H2,1-2H3/b12-7+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 1.87E+4n/an/an/an/an/an/a



PHARMAXYN LABORATORIES LTD.

US Patent


Assay Description
The kinase activity of EGFR was detected according to time-resolved fluorescence detection technology to evaluate automatic phosphorylation levels. T...


US Patent US9409845 (2016)


BindingDB Entry DOI: 10.7270/Q25M64MC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50424963
PNG
(CHEMBL2316152 | US9409845, Table 1, Compound 13: (...)
Show SMILES COc1cc(OC)cc(\C=C2/CCC\C(=C/c3ccccc3OC)C2=O)c1
Show InChI InChI=1S/C23H24O4/c1-25-20-12-16(13-21(15-20)26-2)11-18-8-6-9-19(23(18)24)14-17-7-4-5-10-22(17)27-3/h4-5,7,10-15H,6,8-9H2,1-3H3/b18-11+,19-14+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.09E+4n/an/an/an/an/an/a



PHARMAXYN LABORATORIES LTD.

US Patent


Assay Description
The kinase activity of EGFR was detected according to time-resolved fluorescence detection technology to evaluate automatic phosphorylation levels. T...


US Patent US9409845 (2016)


BindingDB Entry DOI: 10.7270/Q25M64MC
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%