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Compile Data Set for Download or QSAR

Found 19 hits Enz. Inhib. hit(s) with Target = 'EGFR' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
EGFR


(Homo sapiens (Human))
BDBM152773
PNG
(4-(3-Morpholinopropoxy)-N-(3-chloro-4-fluorophenyl...)
Show SMILES Oc1cc(OCCCN2CCOCC2)ccc1C(=O)Nc1ccc(F)c(Cl)c1
Show InChI InChI=1S/C20H22ClFN2O4/c21-17-12-14(2-5-18(17)22)23-20(26)16-4-3-15(13-19(16)25)28-9-1-6-24-7-10-27-11-8-24/h2-5,12-13,25H,1,6-11H2,(H,23,26)
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n/an/a 10.4n/an/an/an/an/an/a



Anhui University of Chinese Medicine



Assay Description
The experiments were performed according to the instructions of the manufacturer. The EGFR TK activity was performed using Kinase-Glo Plus luminescen...


Citation and Details
More data for this
Ligand-Target Pair
EGFR


(Homo sapiens (Human))
BDBM5447
PNG
(CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)
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n/an/a 12.1n/an/an/an/an/an/a



Anhui University of Chinese Medicine



Assay Description
The experiments were performed according to the instructions of the manufacturer. The EGFR TK activity was performed using Kinase-Glo Plus luminescen...


Citation and Details
More data for this
Ligand-Target Pair
EGFR


(Homo sapiens (Human))
BDBM152779
PNG
(4-(3-(Piperidin-1-yl)propoxy)-N-(3-chloro-4-fluoro...)
Show SMILES Oc1cc(OCCCN2CCCCC2)ccc1C(=O)Nc1ccc(F)c(Cl)c1
Show InChI InChI=1S/C21H24ClFN2O3/c22-18-13-15(5-8-19(18)23)24-21(27)17-7-6-16(14-20(17)26)28-12-4-11-25-9-2-1-3-10-25/h5-8,13-14,26H,1-4,9-12H2,(H,24,27)
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n/an/a 15.4n/an/an/an/an/an/a



Anhui University of Chinese Medicine



Assay Description
The experiments were performed according to the instructions of the manufacturer. The EGFR TK activity was performed using Kinase-Glo Plus luminescen...


Citation and Details
More data for this
Ligand-Target Pair
EGFR


(Homo sapiens (Human))
BDBM152777
PNG
(4-(3-(Piperidin-1-yl)propoxy)-N-(m-tolyl)-2-hydrox...)
Show SMILES Cc1cccc(NC(=O)c2ccc(OCCCN3CCCCC3)cc2O)c1
Show InChI InChI=1S/C22H28N2O3/c1-17-7-5-8-18(15-17)23-22(26)20-10-9-19(16-21(20)25)27-14-6-13-24-11-3-2-4-12-24/h5,7-10,15-16,25H,2-4,6,11-14H2,1H3,(H,23,26)
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n/an/a 22.4n/an/an/an/an/an/a



Anhui University of Chinese Medicine



Assay Description
The experiments were performed according to the instructions of the manufacturer. The EGFR TK activity was performed using Kinase-Glo Plus luminescen...


Citation and Details
More data for this
Ligand-Target Pair
EGFR


(Homo sapiens (Human))
BDBM152780
PNG
(4-(3-(Piperidin-1-yl)propoxy)-N-(2-chloro-4-nitrop...)
Show SMILES Oc1cc(OCCCN2CCCCC2)ccc1C(=O)Nc1ccc(cc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C21H24ClN3O5/c22-18-13-15(25(28)29)5-8-19(18)23-21(27)17-7-6-16(14-20(17)26)30-12-4-11-24-9-2-1-3-10-24/h5-8,13-14,26H,1-4,9-12H2,(H,23,27)
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n/an/a 23n/an/an/an/an/an/a



Anhui University of Chinese Medicine



Assay Description
The experiments were performed according to the instructions of the manufacturer. The EGFR TK activity was performed using Kinase-Glo Plus luminescen...


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More data for this
Ligand-Target Pair
EGFR


(Homo sapiens (Human))
BDBM152772
PNG
(4-(3-Morpholinopropoxy)-N-(3-(trifluoromethyl)phen...)
Show SMILES Oc1cc(OCCCN2CCOCC2)ccc1C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C21H23F3N2O4/c22-21(23,24)15-3-1-4-16(13-15)25-20(28)18-6-5-17(14-19(18)27)30-10-2-7-26-8-11-29-12-9-26/h1,3-6,13-14,27H,2,7-12H2,(H,25,28)
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n/an/a 34.6n/an/an/an/an/an/a



Anhui University of Chinese Medicine



Assay Description
The experiments were performed according to the instructions of the manufacturer. The EGFR TK activity was performed using Kinase-Glo Plus luminescen...


Citation and Details
More data for this
Ligand-Target Pair
EGFR


(Homo sapiens (Human))
BDBM152778
PNG
(4-(3-(Piperidin-1-yl)propoxy)-N-(3-(trifluoromethy...)
Show SMILES Oc1cc(OCCCN2CCCCC2)ccc1C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C22H25F3N2O3/c23-22(24,25)16-6-4-7-17(14-16)26-21(29)19-9-8-18(15-20(19)28)30-13-5-12-27-10-2-1-3-11-27/h4,6-9,14-15,28H,1-3,5,10-13H2,(H,26,29)
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n/an/a 35.2n/an/an/an/an/an/a



Anhui University of Chinese Medicine



Assay Description
The experiments were performed according to the instructions of the manufacturer. The EGFR TK activity was performed using Kinase-Glo Plus luminescen...


Citation and Details
More data for this
Ligand-Target Pair
EGFR


(Homo sapiens (Human))
BDBM152775
PNG
(4-(3-(Piperidin-1-yl)propoxy)-N-(3-bromophenyl)-2-...)
Show SMILES Oc1cc(OCCCN2CCCCC2)ccc1C(=O)Nc1cccc(Br)c1
Show InChI InChI=1S/C21H25BrN2O3/c22-16-6-4-7-17(14-16)23-21(26)19-9-8-18(15-20(19)25)27-13-5-12-24-10-2-1-3-11-24/h4,6-9,14-15,25H,1-3,5,10-13H2,(H,23,26)
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n/an/a 45.7n/an/an/an/an/an/a



Anhui University of Chinese Medicine



Assay Description
The experiments were performed according to the instructions of the manufacturer. The EGFR TK activity was performed using Kinase-Glo Plus luminescen...


Citation and Details
More data for this
Ligand-Target Pair
EGFR


(Homo sapiens (Human))
BDBM152776
PNG
(4-(3-(Piperidin-1-yl)propoxy)-N-(3-chlorophenyl)-2...)
Show SMILES Oc1cc(OCCCN2CCCCC2)ccc1C(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C21H25ClN2O3/c22-16-6-4-7-17(14-16)23-21(26)19-9-8-18(15-20(19)25)27-13-5-12-24-10-2-1-3-11-24/h4,6-9,14-15,25H,1-3,5,10-13H2,(H,23,26)
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n/an/a 63.9n/an/an/an/an/an/a



Anhui University of Chinese Medicine



Assay Description
The experiments were performed according to the instructions of the manufacturer. The EGFR TK activity was performed using Kinase-Glo Plus luminescen...


Citation and Details
More data for this
Ligand-Target Pair
EGFR


(Homo sapiens (Human))
BDBM152774
PNG
(4-(3-Morpholinopropoxy)-N-(2-chloro-4-nitrophenyl)...)
Show SMILES Oc1cc(OCCCN2CCOCC2)ccc1C(=O)Nc1ccc(cc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C20H22ClN3O6/c21-17-12-14(24(27)28)2-5-18(17)22-20(26)16-4-3-15(13-19(16)25)30-9-1-6-23-7-10-29-11-8-23/h2-5,12-13,25H,1,6-11H2,(H,22,26)
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n/an/a 84.8n/an/an/an/an/an/a



Anhui University of Chinese Medicine



Assay Description
The experiments were performed according to the instructions of the manufacturer. The EGFR TK activity was performed using Kinase-Glo Plus luminescen...


Citation and Details
More data for this
Ligand-Target Pair
EGFR


(Homo sapiens (Human))
BDBM152769
PNG
(4-(3-morpholinopropoxy)-N-(3-bromophenyl)-2-hydrox...)
Show SMILES Oc1cc(OCCCN2CCOCC2)ccc1C(=O)Nc1cccc(Br)c1
Show InChI InChI=1S/C20H23BrN2O4/c21-15-3-1-4-16(13-15)22-20(25)18-6-5-17(14-19(18)24)27-10-2-7-23-8-11-26-12-9-23/h1,3-6,13-14,24H,2,7-12H2,(H,22,25)
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n/an/a 85.8n/an/an/an/an/an/a



Anhui University of Chinese Medicine



Assay Description
The experiments were performed according to the instructions of the manufacturer. The EGFR TK activity was performed using Kinase-Glo Plus luminescen...


Citation and Details
More data for this
Ligand-Target Pair
EGFR


(Homo sapiens (Human))
BDBM152771
PNG
(4-(3-Morpholinopropoxy)-N-(m-tolyl)-2-hydroxybenza...)
Show SMILES Cc1cccc(NC(=O)c2ccc(OCCCN3CCOCC3)cc2O)c1
Show InChI InChI=1S/C21H26N2O4/c1-16-4-2-5-17(14-16)22-21(25)19-7-6-18(15-20(19)24)27-11-3-8-23-9-12-26-13-10-23/h2,4-7,14-15,24H,3,8-13H2,1H3,(H,22,25)
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n/an/a 142n/an/an/an/an/an/a



Anhui University of Chinese Medicine



Assay Description
The experiments were performed according to the instructions of the manufacturer. The EGFR TK activity was performed using Kinase-Glo Plus luminescen...


Citation and Details
More data for this
Ligand-Target Pair
EGFR


(Homo sapiens (Human))
BDBM152770
PNG
(4-(3-Morpholinopropoxy)-N-(3-chlorophenyl)-2-hydro...)
Show SMILES Oc1cc(OCCCN2CCOCC2)ccc1C(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C20H23ClN2O4/c21-15-3-1-4-16(13-15)22-20(25)18-6-5-17(14-19(18)24)27-10-2-7-23-8-11-26-12-9-23/h1,3-6,13-14,24H,2,7-12H2,(H,22,25)
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n/an/a 196n/an/an/an/an/an/a



Anhui University of Chinese Medicine



Assay Description
The experiments were performed according to the instructions of the manufacturer. The EGFR TK activity was performed using Kinase-Glo Plus luminescen...


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More data for this
Ligand-Target Pair
EGFR


(Homo sapiens (Human))
BDBM108059
PNG
(N-carbamimidoyl-4-((4-((2,3-dimethyl-2H-indazole- ...)
Show SMILES CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(cc2)S(=O)(=O)NC(N)=N)n1
Show InChI InChI=1S/C21H23N9O2S/c1-13-17-9-6-15(12-18(17)27-30(13)3)29(2)19-10-11-24-21(26-19)25-14-4-7-16(8-5-14)33(31,32)28-20(22)23/h4-12H,1-3H3,(H4,22,23,28)(H,24,25,26)
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n/an/a 1.37E+3n/an/an/an/an/an/a



Shandong Institute of Pharmaceutical Industry, Ji'nan, Shandong, 250101, China.



Assay Description
To the assay kit, 2.5 µL of different concentrate of the test compounds, Pazopanib or water (control) were added and incubated for 1 h at room t...


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Ligand-Target Pair
EGFR


(Homo sapiens (Human))
BDBM50399540
PNG
(FORETINIB)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C34H34F2N4O6/c1-43-30-20-25-27(21-31(30)45-16-2-13-40-14-17-44-18-15-40)37-12-9-28(25)46-29-8-7-24(19-26(29)36)39-33(42)34(10-11-34)32(41)38-23-5-3-22(35)4-6-23/h3-9,12,19-21H,2,10-11,13-18H2,1H3,(H,38,41)(H,39,42)
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n/an/a 2.99E+3n/an/an/an/an/an/a



Shenyang Pharmaceutical University, Ministry of Education



Assay Description
The c-Met kinase activity was evaluated by homogeneous time-resolved fluorescence (HTRF) assays. In a 384-well plate, 20 µg/mL (Glue, Tyr) 4:1 w...


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Ligand-Target Pair
EGFR


(Homo sapiens (Human))
BDBM26474
PNG
(5-({4-[(2,3-dimethyl-2H-indazol-6-yl)(methyl)amino...)
Show SMILES CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1
Show InChI InChI=1S/C21H23N7O2S/c1-13-5-6-15(11-19(13)31(22,29)30)24-21-23-10-9-20(25-21)27(3)16-7-8-17-14(2)28(4)26-18(17)12-16/h5-12H,1-4H3,(H2,22,29,30)(H,23,24,25)
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n/an/a 5.95E+3n/an/an/an/an/an/a



Shandong Institute of Pharmaceutical Industry, Ji'nan, Shandong, 250101, China.



Assay Description
To the assay kit, 2.5 µL of different concentrate of the test compounds, Pazopanib or water (control) were added and incubated for 1 h at room t...


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More data for this
Ligand-Target Pair
EGFR


(Homo sapiens (Human))
BDBM191572
PNG
(6-(3-chlorophenyl)pteridine-2,4,7-triamine (15) | ...)
Show SMILES Nc1nc(N)c2nc(c(N)nc2n1)-c1cccc(Cl)c1
Show InChI InChI=1S/C12H10ClN7/c13-6-3-1-2-5(4-6)7-9(14)18-11-8(17-7)10(15)19-12(16)20-11/h1-4H,(H6,14,15,16,18,19,20)
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n/an/a 8.30E+3n/an/an/an/an/an/a



Max Planck Institute of Molecular Physiology



Assay Description
Single-point measurement analyses of Epiblastin A against a panel of 123 kinases was performed at Eurofins (former Milipore) using a radiometric-base...


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Ligand-Target Pair
EGFR


(Homo sapiens (Human))
BDBM120816
PNG
((Z)-4-(((3-fluoro-4-((6-methoxy-7-(3-morpholinopro...)
Show SMILES COc1cc2c(Oc3ccc(cc3F)N=Cc3c(C)[nH]n(-c4ccccc4C(F)(F)F)c3=O)ccnc2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C35H33F4N5O5/c1-22-25(34(45)44(42-22)29-7-4-3-6-26(29)35(37,38)39)21-41-23-8-9-31(27(36)18-23)49-30-10-11-40-28-20-33(32(46-2)19-24(28)30)48-15-5-12-43-13-16-47-17-14-43/h3-4,6-11,18-21,42H,5,12-17H2,1-2H3/b41-21+
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n/an/a>1.00E+4n/an/an/an/an/an/a



Shenyang Pharmaceutical University, Ministry of Education



Assay Description
The c-Met kinase activity was evaluated by homogeneous time-resolved fluorescence (HTRF) assays. In a 384-well plate, 20 µg/mL (Glue, Tyr) 4:1 w...


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Ligand-Target Pair
EGFR


(Homo sapiens (Human))
BDBM110206
PNG
(1-[2-(Dimethylamino)ethyl]-5-(2-hydroxy-4-methoxyb...)
Show SMILES COc1ccc(C(=O)c2ccc(=O)n(CCN(C)C)c2)c(O)c1
Show InChI InChI=1S/C17H20N2O4/c1-18(2)8-9-19-11-12(4-7-16(19)21)17(22)14-6-5-13(23-3)10-15(14)20/h4-7,10-11,20H,8-9H2,1-3H3
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n/an/a>3.00E+5n/an/an/an/an/an/a



University of Delhi, Delhi 110007, India



Assay Description
EGFR was incubated with 8 mM MOPS (pH 7.0), 0.2 mM EDTA, 10 mM MnCl2, 0.1 mg/mL poly(Glu, Tyr) 4:1. MAPK1 was incubated with 25 mM Tris (pH 7.5), 0.0...


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Ligand-Target Pair