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Compile Data Set for Download or QSAR

Found 17 hits of ic50 for UniProtKB: P00533   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Epidermal growth factor receptor [1-973]


(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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PubMed
n/an/a 10.4n/an/an/an/an/a25



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...


Chem Biol Drug Des 85: 280-9 (2015)


Article DOI: 10.1111/cbdd.12383
BindingDB Entry DOI: 10.7270/Q2JD4VJR
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [1-973]


(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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Article
PubMed
n/an/a 12.1n/an/an/an/an/a25



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...


Chem Biol Drug Des 85: 280-9 (2015)


Article DOI: 10.1111/cbdd.12383
BindingDB Entry DOI: 10.7270/Q2JD4VJR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor [1-973]


(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/a25



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...


Chem Biol Drug Des 85: 280-9 (2015)


Article DOI: 10.1111/cbdd.12383
BindingDB Entry DOI: 10.7270/Q2JD4VJR
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [1-973]


(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/a25



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...


Chem Biol Drug Des 85: 280-9 (2015)


Article DOI: 10.1111/cbdd.12383
BindingDB Entry DOI: 10.7270/Q2JD4VJR
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [1-973]


(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/a25



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...


Chem Biol Drug Des 85: 280-9 (2015)


Article DOI: 10.1111/cbdd.12383
BindingDB Entry DOI: 10.7270/Q2JD4VJR
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [1-973]


(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/a25



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...


Chem Biol Drug Des 85: 280-9 (2015)


Article DOI: 10.1111/cbdd.12383
BindingDB Entry DOI: 10.7270/Q2JD4VJR
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [1-973]


(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/a25



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...


Chem Biol Drug Des 85: 280-9 (2015)


Article DOI: 10.1111/cbdd.12383
BindingDB Entry DOI: 10.7270/Q2JD4VJR
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [1-973]


(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/a25



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...


Chem Biol Drug Des 85: 280-9 (2015)


Article DOI: 10.1111/cbdd.12383
BindingDB Entry DOI: 10.7270/Q2JD4VJR
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [1-973]


(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/a25



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...


Chem Biol Drug Des 85: 280-9 (2015)


Article DOI: 10.1111/cbdd.12383
BindingDB Entry DOI: 10.7270/Q2JD4VJR
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [1-973]


(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/a25



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...


Chem Biol Drug Des 85: 280-9 (2015)


Article DOI: 10.1111/cbdd.12383
BindingDB Entry DOI: 10.7270/Q2JD4VJR
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [1-973]


(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/a25



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...


Chem Biol Drug Des 85: 280-9 (2015)


Article DOI: 10.1111/cbdd.12383
BindingDB Entry DOI: 10.7270/Q2JD4VJR
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [1-973]


(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/a25



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...


Chem Biol Drug Des 85: 280-9 (2015)


Article DOI: 10.1111/cbdd.12383
BindingDB Entry DOI: 10.7270/Q2JD4VJR
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [1-973]


(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/a25



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...


Chem Biol Drug Des 85: 280-9 (2015)


Article DOI: 10.1111/cbdd.12383
BindingDB Entry DOI: 10.7270/Q2JD4VJR
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [1-973]


(Homo sapiens (Human))
BDBM50399540
PNG
(FORETINIB | US10464902, Foretinib | US10882853, Co...)
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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PubMed
n/an/a 2.99E+3n/an/an/an/a7.025



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...


Bioorg Chem 57: 30-42 (2014)


Article DOI: 10.1016/j.bioorg.2014.07.011
BindingDB Entry DOI: 10.7270/Q2BG2MPQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [1-973]


(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...


Cell Chem Biol 23: 494-507 (2016)


Article DOI: 10.1016/j.chembiol.2016.02.015
BindingDB Entry DOI: 10.7270/Q2GQ6WJD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [1-973]


(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 |w:14.14|
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/a7.025



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...


Bioorg Chem 57: 30-42 (2014)


Article DOI: 10.1016/j.bioorg.2014.07.011
BindingDB Entry DOI: 10.7270/Q2BG2MPQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [1-973]


(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/a7.0n/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...


Bioorg Chem 53: 75-82 (2014)


Article DOI: 10.1016/j.bioorg.2014.02.001
BindingDB Entry DOI: 10.7270/Q2HX1BBK
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Ligand-Target Pair