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Compile Data Set for Download or QSAR

Found 9 hits with Last Name = 'löwe' and Initial = 'w'   
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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n/an/a 1n/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
Inhibition of human EGFR (unknown origin)


Eur J Med Chem 43: 1478-88 (2008)


Article DOI: 10.1016/j.ejmech.2007.09.018
BindingDB Entry DOI: 10.7270/Q2D50MRC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(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 20n/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
Inhibition of human EGFR (unknown origin)


Eur J Med Chem 43: 1478-88 (2008)


Article DOI: 10.1016/j.ejmech.2007.09.018
BindingDB Entry DOI: 10.7270/Q2D50MRC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50247550
PNG
(4-(5-Bromoindole-3-yl)-6,7-dimethoxyquinazoline | ...)
Show SMILES COc1cc2ncnc(-c3c[nH]c4ccc(Br)cc34)c2cc1OC
Show InChI InChI=1S/C18H14BrN3O2/c1-23-16-6-12-15(7-17(16)24-2)21-9-22-18(12)13-8-20-14-4-3-10(19)5-11(13)14/h3-9,20H,1-2H3
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n/an/a 131n/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
Inhibition of human EGFR tyrosine kinase activity


Eur J Med Chem 43: 1478-88 (2008)


Article DOI: 10.1016/j.ejmech.2007.09.018
BindingDB Entry DOI: 10.7270/Q2D50MRC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50247551
PNG
(4-(5-Chloro-6-fluoroindole-3-yl)-6,7-dimethoxyquin...)
Show SMILES COc1cc2ncnc(-c3c[nH]c4cc(F)c(Cl)cc34)c2cc1OC
Show InChI InChI=1S/C18H13ClFN3O2/c1-24-16-4-10-15(6-17(16)25-2)22-8-23-18(10)11-7-21-14-5-13(20)12(19)3-9(11)14/h3-8,21H,1-2H3
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n/an/a 209n/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
Inhibition of human EGFR tyrosine kinase activity


Eur J Med Chem 43: 1478-88 (2008)


Article DOI: 10.1016/j.ejmech.2007.09.018
BindingDB Entry DOI: 10.7270/Q2D50MRC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50247161
PNG
(4-(5-Chloro-6-fluoroindole-3-yl)-7-methoxy-6-(3-mo...)
Show SMILES COc1cc2ncnc(-c3c[nH]c4cc(F)c(Cl)cc34)c2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C24H24ClFN4O3/c1-31-22-12-21-16(10-23(22)33-6-2-3-30-4-7-32-8-5-30)24(29-14-28-21)17-13-27-20-11-19(26)18(25)9-15(17)20/h9-14,27H,2-8H2,1H3
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n/an/a 333n/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
Inhibition of human EGFR tyrosine kinase activity


Eur J Med Chem 43: 1478-88 (2008)


Article DOI: 10.1016/j.ejmech.2007.09.018
BindingDB Entry DOI: 10.7270/Q2D50MRC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50247160
PNG
(4-(5-Chloro-6-fluoro-indole-3-yl)-6,7-di-(2-methox...)
Show SMILES COCCOc1cc2ncnc(-c3c[nH]c4cc(F)c(Cl)cc34)c2cc1OCCOC
Show InChI InChI=1S/C22H21ClFN3O4/c1-28-3-5-30-20-8-14-19(10-21(20)31-6-4-29-2)26-12-27-22(14)15-11-25-18-9-17(24)16(23)7-13(15)18/h7-12,25H,3-6H2,1-2H3
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n/an/a 472n/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
Inhibition of human EGFR tyrosine kinase activity


Eur J Med Chem 43: 1478-88 (2008)


Article DOI: 10.1016/j.ejmech.2007.09.018
BindingDB Entry DOI: 10.7270/Q2D50MRC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50247159
PNG
(4-(6-Fluoro-5-methylindole-3-yl)-6,7-dimethoxyquin...)
Show SMILES COc1cc2ncnc(-c3c[nH]c4cc(F)c(C)cc34)c2cc1OC
Show InChI InChI=1S/C19H16FN3O2/c1-10-4-11-13(8-21-15(11)6-14(10)20)19-12-5-17(24-2)18(25-3)7-16(12)22-9-23-19/h4-9,21H,1-3H3
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n/an/a 533n/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
Inhibition of human EGFR tyrosine kinase activity


Eur J Med Chem 43: 1478-88 (2008)


Article DOI: 10.1016/j.ejmech.2007.09.018
BindingDB Entry DOI: 10.7270/Q2D50MRC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4363
PNG
((2E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enethio...)
Show SMILES NC(=S)C(=C\c1ccc(O)c(O)c1)\C#N
Show InChI InChI=1S/C10H8N2O2S/c11-5-7(10(12)15)3-6-1-2-8(13)9(14)4-6/h1-4,13-14H,(H2,12,15)/b7-3+
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n/an/a 1.31E+3n/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
Inhibition of human EGFR tyrosine kinase activity


Eur J Med Chem 43: 1478-88 (2008)


Article DOI: 10.1016/j.ejmech.2007.09.018
BindingDB Entry DOI: 10.7270/Q2D50MRC
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM4363
PNG
((2E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enethio...)
Show SMILES NC(=S)C(=C\c1ccc(O)c(O)c1)\C#N
Show InChI InChI=1S/C10H8N2O2S/c11-5-7(10(12)15)3-6-1-2-8(13)9(14)4-6/h1-4,13-14H,(H2,12,15)/b7-3+
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n/an/a 5.70E+3n/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
Inhibition of human HER2 tyrosine kinase activity


Eur J Med Chem 43: 1478-88 (2008)


Article DOI: 10.1016/j.ejmech.2007.09.018
BindingDB Entry DOI: 10.7270/Q2D50MRC
More data for this
Ligand-Target Pair