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Compile Data Set for Download or QSAR

Found 90 hits with Last Name = 'riese' and Initial = 'dj'   
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))
BDBM50095261
PNG
((3-Chloro-phenyl)-(6,7-diethoxy-quinazolin-4-yl)-a...)
Show SMILES CCOc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OCC
Show InChI InChI=1S/C18H18ClN3O2/c1-3-23-16-9-14-15(10-17(16)24-4-2)20-11-21-18(14)22-13-7-5-6-12(19)8-13/h5-11H,3-4H2,1-2H3,(H,20,21,22)
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n/an/a 0.380n/an/an/an/an/an/a



Lawrence Berkeley National Laboratory

Curated by ChEMBL


Assay Description
Displacement of [125I]4-(3-iodoanilino)-6,7-dimethoxyquinazoline from EGFR tyrosine kinase in human A431 cell membranes


J Med Chem 48: 7445-56 (2005)


Article DOI: 10.1021/jm050607w
BindingDB Entry DOI: 10.7270/Q26D5TT6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3556
PNG
(4-[(3-Bromophenyl)amino]-6,7-diethoxyquinazoline |...)
Show SMILES CCOc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OCC
Show InChI InChI=1S/C18H18BrN3O2/c1-3-23-16-9-14-15(10-17(16)24-4-2)20-11-21-18(14)22-13-7-5-6-12(19)8-13/h5-11H,3-4H2,1-2H3,(H,20,21,22)
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n/an/a 0.410n/an/an/an/an/an/a



Lawrence Berkeley National Laboratory

Curated by ChEMBL


Assay Description
Displacement of [125I]4-(3-iodoanilino)-6,7-dimethoxyquinazoline from EGFR tyrosine kinase in human A431 cell membranes


J Med Chem 48: 7445-56 (2005)


Article DOI: 10.1021/jm050607w
BindingDB Entry DOI: 10.7270/Q26D5TT6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50095273
PNG
((6,7-Diethoxy-quinazolin-4-yl)-(3-iodo-phenyl)-ami...)
Show SMILES CCOc1cc2ncnc(Nc3cccc(I)c3)c2cc1OCC
Show InChI InChI=1S/C18H18IN3O2/c1-3-23-16-9-14-15(10-17(16)24-4-2)20-11-21-18(14)22-13-7-5-6-12(19)8-13/h5-11H,3-4H2,1-2H3,(H,20,21,22)
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n/an/a 0.640n/an/an/an/an/an/a



Lawrence Berkeley National Laboratory

Curated by ChEMBL


Assay Description
Displacement of [125I]4-(3-iodoanilino)-6,7-dimethoxyquinazoline from EGFR tyrosine kinase in human A431 cell membranes


J Med Chem 48: 7445-56 (2005)


Article DOI: 10.1021/jm050607w
BindingDB Entry DOI: 10.7270/Q26D5TT6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3032
PNG
(CHEMBL1204168 | CHEMBL29197 | N-(3-bromophenyl)-6,...)
Show SMILES COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OC
Show InChI InChI=1S/C16H14BrN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)
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n/an/a 0.660n/an/an/an/an/an/a



Lawrence Berkeley National Laboratory

Curated by ChEMBL


Assay Description
Displacement of [125I]4-(3-iodoanilino)-6,7-dimethoxyquinazoline from EGFR tyrosine kinase in human A431 cell membranes


J Med Chem 48: 7445-56 (2005)


Article DOI: 10.1021/jm050607w
BindingDB Entry DOI: 10.7270/Q26D5TT6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3532
PNG
(CHEMBL540068 | CHEMBL7917 | N-(3-chlorophenyl)-6,7...)
Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OC
Show InChI InChI=1S/C16H14ClN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)
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n/an/a 0.800n/an/an/an/an/an/a



Lawrence Berkeley National Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human EGFR tyrosine kinase phosphorylation expressed in mouse BaF3 cells


J Med Chem 48: 7445-56 (2005)


Article DOI: 10.1021/jm050607w
BindingDB Entry DOI: 10.7270/Q26D5TT6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3533
PNG
(CHEMBL1204305 | CHEMBL96065 | N-(3-iodophenyl)-6,7...)
Show SMILES COc1cc2ncnc(Nc3cccc(I)c3)c2cc1OC
Show InChI InChI=1S/C16H14IN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)
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n/an/a 1.05n/an/an/an/an/an/a



Lawrence Berkeley National Laboratory

Curated by ChEMBL


Assay Description
Displacement of [125I]4-(3-iodoanilino)-6,7-dimethoxyquinazoline from EGFR tyrosine kinase in human A431 cell membranes


J Med Chem 48: 7445-56 (2005)


Article DOI: 10.1021/jm050607w
BindingDB Entry DOI: 10.7270/Q26D5TT6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50095261
PNG
((3-Chloro-phenyl)-(6,7-diethoxy-quinazolin-4-yl)-a...)
Show SMILES CCOc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OCC
Show InChI InChI=1S/C18H18ClN3O2/c1-3-23-16-9-14-15(10-17(16)24-4-2)20-11-21-18(14)22-13-7-5-6-12(19)8-13/h5-11H,3-4H2,1-2H3,(H,20,21,22)
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n/an/a 1.20n/an/an/an/an/an/a



Lawrence Berkeley National Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human EGFR tyrosine kinase phosphorylation expressed in mouse BaF3 cells


J Med Chem 48: 7445-56 (2005)


Article DOI: 10.1021/jm050607w
BindingDB Entry DOI: 10.7270/Q26D5TT6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3532
PNG
(CHEMBL540068 | CHEMBL7917 | N-(3-chlorophenyl)-6,7...)
Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OC
Show InChI InChI=1S/C16H14ClN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)
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n/an/a 1.26n/an/an/an/an/an/a



Lawrence Berkeley National Laboratory

Curated by ChEMBL


Assay Description
Displacement of [125I]4-(3-iodoanilino)-6,7-dimethoxyquinazoline from EGFR tyrosine kinase in human A431 cell membranes


J Med Chem 48: 7445-56 (2005)


Article DOI: 10.1021/jm050607w
BindingDB Entry DOI: 10.7270/Q26D5TT6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3032
PNG
(CHEMBL1204168 | CHEMBL29197 | N-(3-bromophenyl)-6,...)
Show SMILES COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OC
Show InChI InChI=1S/C16H14BrN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)
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n/an/a 2.60n/an/an/an/an/an/a



Lawrence Berkeley National Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human EGFR tyrosine kinase phosphorylation expressed in mouse BaF3 cells


J Med Chem 48: 7445-56 (2005)


Article DOI: 10.1021/jm050607w
BindingDB Entry DOI: 10.7270/Q26D5TT6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3556
PNG
(4-[(3-Bromophenyl)amino]-6,7-diethoxyquinazoline |...)
Show SMILES CCOc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OCC
Show InChI InChI=1S/C18H18BrN3O2/c1-3-23-16-9-14-15(10-17(16)24-4-2)20-11-21-18(14)22-13-7-5-6-12(19)8-13/h5-11H,3-4H2,1-2H3,(H,20,21,22)
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n/an/a 3.20n/an/an/an/an/an/a



Lawrence Berkeley National Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human EGFR tyrosine kinase phosphorylation expressed in mouse BaF3 cells


J Med Chem 48: 7445-56 (2005)


Article DOI: 10.1021/jm050607w
BindingDB Entry DOI: 10.7270/Q26D5TT6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50095273
PNG
((6,7-Diethoxy-quinazolin-4-yl)-(3-iodo-phenyl)-ami...)
Show SMILES CCOc1cc2ncnc(Nc3cccc(I)c3)c2cc1OCC
Show InChI InChI=1S/C18H18IN3O2/c1-3-23-16-9-14-15(10-17(16)24-4-2)20-11-21-18(14)22-13-7-5-6-12(19)8-13/h5-11H,3-4H2,1-2H3,(H,20,21,22)
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n/an/a 4.60n/an/an/an/an/an/a



Lawrence Berkeley National Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human EGFR tyrosine kinase phosphorylation expressed in mouse BaF3 cells


J Med Chem 48: 7445-56 (2005)


Article DOI: 10.1021/jm050607w
BindingDB Entry DOI: 10.7270/Q26D5TT6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3531
PNG
(CHEMBL541586 | CHEMBL94431 | N-(3-fluorophenyl)-6,...)
Show SMILES COc1cc2ncnc(Nc3cccc(F)c3)c2cc1OC
Show InChI InChI=1S/C16H14FN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)
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n/an/a 6.30n/an/an/an/an/an/a



Lawrence Berkeley National Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human EGFR tyrosine kinase phosphorylation expressed in mouse BaF3 cells


J Med Chem 48: 7445-56 (2005)


Article DOI: 10.1021/jm050607w
BindingDB Entry DOI: 10.7270/Q26D5TT6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3533
PNG
(CHEMBL1204305 | CHEMBL96065 | N-(3-iodophenyl)-6,7...)
Show SMILES COc1cc2ncnc(Nc3cccc(I)c3)c2cc1OC
Show InChI InChI=1S/C16H14IN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)
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n/an/a 6.40n/an/an/an/an/an/a



Lawrence Berkeley National Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human EGFR tyrosine kinase phosphorylation expressed in mouse BaF3 cells


J Med Chem 48: 7445-56 (2005)


Article DOI: 10.1021/jm050607w
BindingDB Entry DOI: 10.7270/Q26D5TT6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50095277
PNG
((6,7-Diethoxy-quinazolin-4-yl)-(3-fluoro-phenyl)-a...)
Show SMILES CCOc1cc2ncnc(Nc3cccc(F)c3)c2cc1OCC
Show InChI InChI=1S/C18H18FN3O2/c1-3-23-16-9-14-15(10-17(16)24-4-2)20-11-21-18(14)22-13-7-5-6-12(19)8-13/h5-11H,3-4H2,1-2H3,(H,20,21,22)
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n/an/a 6.5n/an/an/an/an/an/a



Lawrence Berkeley National Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human EGFR tyrosine kinase phosphorylation expressed in mouse BaF3 cells


J Med Chem 48: 7445-56 (2005)


Article DOI: 10.1021/jm050607w
BindingDB Entry DOI: 10.7270/Q26D5TT6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50370935
PNG
(CHEMBL1203937)
Show SMILES CCOc1cc2ncnc(NCc3ccc(F)cc3)c2cc1OCC
Show InChI InChI=1S/C19H20FN3O2/c1-3-24-17-9-15-16(10-18(17)25-4-2)22-12-23-19(15)21-11-13-5-7-14(20)8-6-13/h5-10,12H,3-4,11H2,1-2H3,(H,21,22,23)
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n/an/a 6.60n/an/an/an/an/an/a



Lawrence Berkeley National Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human EGFR tyrosine kinase phosphorylation expressed in mouse BaF3 cells


J Med Chem 48: 7445-56 (2005)


Article DOI: 10.1021/jm050607w
BindingDB Entry DOI: 10.7270/Q26D5TT6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50095277
PNG
((6,7-Diethoxy-quinazolin-4-yl)-(3-fluoro-phenyl)-a...)
Show SMILES CCOc1cc2ncnc(Nc3cccc(F)c3)c2cc1OCC
Show InChI InChI=1S/C18H18FN3O2/c1-3-23-16-9-14-15(10-17(16)24-4-2)20-11-21-18(14)22-13-7-5-6-12(19)8-13/h5-11H,3-4H2,1-2H3,(H,20,21,22)
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n/an/a 8.17n/an/an/an/an/an/a



Lawrence Berkeley National Laboratory

Curated by ChEMBL


Assay Description
Displacement of [125I]4-(3-iodoanilino)-6,7-dimethoxyquinazoline from EGFR tyrosine kinase in human A431 cell membranes


J Med Chem 48: 7445-56 (2005)


Article DOI: 10.1021/jm050607w
BindingDB Entry DOI: 10.7270/Q26D5TT6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50370943
PNG
(CHEMBL1203935)
Show SMILES CCOc1cc2ncnc(Nc3cc(F)cc(c3)C(F)(F)F)c2cc1OCC
Show InChI InChI=1S/C19H17F4N3O2/c1-3-27-16-8-14-15(9-17(16)28-4-2)24-10-25-18(14)26-13-6-11(19(21,22)23)5-12(20)7-13/h5-10H,3-4H2,1-2H3,(H,24,25,26)
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n/an/a 8.95n/an/an/an/an/an/a



Lawrence Berkeley National Laboratory

Curated by ChEMBL


Assay Description
Displacement of [125I]4-(3-iodoanilino)-6,7-dimethoxyquinazoline from EGFR tyrosine kinase in human A431 cell membranes


J Med Chem 48: 7445-56 (2005)


Article DOI: 10.1021/jm050607w
BindingDB Entry DOI: 10.7270/Q26D5TT6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50370938
PNG
(CHEMBL1203939)
Show SMILES CCOc1cc2ncnc(Nc3ccccc3F)c2cc1OCC
Show InChI InChI=1S/C18H18FN3O2/c1-3-23-16-9-12-15(10-17(16)24-4-2)20-11-21-18(12)22-14-8-6-5-7-13(14)19/h5-11H,3-4H2,1-2H3,(H,20,21,22)
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n/an/a 9.31n/an/an/an/an/an/a



Lawrence Berkeley National Laboratory

Curated by ChEMBL


Assay Description
Displacement of [125I]4-(3-iodoanilino)-6,7-dimethoxyquinazoline from EGFR tyrosine kinase in human A431 cell membranes


J Med Chem 48: 7445-56 (2005)


Article DOI: 10.1021/jm050607w
BindingDB Entry DOI: 10.7270/Q26D5TT6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50177114
PNG
(CHEMBL1203938 | CHEMBL374810 | cid_1474879)
Show SMILES COc1cc2ncnc(NCc3ccc(F)cc3)c2cc1OC
Show InChI InChI=1S/C17H16FN3O2/c1-22-15-7-13-14(8-16(15)23-2)20-10-21-17(13)19-9-11-3-5-12(18)6-4-11/h3-8,10H,9H2,1-2H3,(H,19,20,21)
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n/an/a 10.9n/an/an/an/an/an/a



Lawrence Berkeley National Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human EGFR tyrosine kinase phosphorylation expressed in mouse BaF3 cells


J Med Chem 48: 7445-56 (2005)


Article DOI: 10.1021/jm050607w
BindingDB Entry DOI: 10.7270/Q26D5TT6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4619
PNG
(Anilinoquinazoline deriv. 2 | CHEMBL1204360 | CHEM...)
Show SMILES COc1cc2ncnc(Nc3ccccc3F)c2cc1OC
Show InChI InChI=1S/C16H14FN3O2/c1-21-14-7-10-13(8-15(14)22-2)18-9-19-16(10)20-12-6-4-3-5-11(12)17/h3-9H,1-2H3,(H,18,19,20)
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n/an/a 12.8n/an/an/an/an/an/a



Lawrence Berkeley National Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human EGFR tyrosine kinase phosphorylation expressed in mouse BaF3 cells


J Med Chem 48: 7445-56 (2005)


Article DOI: 10.1021/jm050607w
BindingDB Entry DOI: 10.7270/Q26D5TT6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50370938
PNG
(CHEMBL1203939)
Show SMILES CCOc1cc2ncnc(Nc3ccccc3F)c2cc1OCC
Show InChI InChI=1S/C18H18FN3O2/c1-3-23-16-9-12-15(10-17(16)24-4-2)20-11-21-18(12)22-14-8-6-5-7-13(14)19/h5-11H,3-4H2,1-2H3,(H,20,21,22)
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n/an/a 15.8n/an/an/an/an/an/a



Lawrence Berkeley National Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human EGFR tyrosine kinase phosphorylation expressed in mouse BaF3 cells


J Med Chem 48: 7445-56 (2005)


Article DOI: 10.1021/jm050607w
BindingDB Entry DOI: 10.7270/Q26D5TT6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50370934
PNG
(CHEMBL1203940)
Show SMILES CCOc1cc2ncnc(Nc3ccc(F)cc3)c2cc1OCC
Show InChI InChI=1S/C18H18FN3O2/c1-3-23-16-9-14-15(10-17(16)24-4-2)20-11-21-18(14)22-13-7-5-12(19)6-8-13/h5-11H,3-4H2,1-2H3,(H,20,21,22)
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n/an/a 16n/an/an/an/an/an/a



Lawrence Berkeley National Laboratory

Curated by ChEMBL


Assay Description
Displacement of [125I]4-(3-iodoanilino)-6,7-dimethoxyquinazoline from EGFR tyrosine kinase in human A431 cell membranes


J Med Chem 48: 7445-56 (2005)


Article DOI: 10.1021/jm050607w
BindingDB Entry DOI: 10.7270/Q26D5TT6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50370935
PNG
(CHEMBL1203937)
Show SMILES CCOc1cc2ncnc(NCc3ccc(F)cc3)c2cc1OCC
Show InChI InChI=1S/C19H20FN3O2/c1-3-24-17-9-15-16(10-18(17)25-4-2)22-12-23-19(15)21-11-13-5-7-14(20)8-6-13/h5-10,12H,3-4,11H2,1-2H3,(H,21,22,23)
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n/an/a 17n/an/an/an/an/an/a



Lawrence Berkeley National Laboratory

Curated by ChEMBL


Assay Description
Displacement of [125I]4-(3-iodoanilino)-6,7-dimethoxyquinazoline from EGFR tyrosine kinase in human A431 cell membranes


J Med Chem 48: 7445-56 (2005)


Article DOI: 10.1021/jm050607w
BindingDB Entry DOI: 10.7270/Q26D5TT6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50370944
PNG
(CHEMBL1203934)
Show SMILES COc1cc2ncnc(Nc3ccc(F)cc3)c2cc1OC
Show InChI InChI=1S/C16H14FN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-10(17)4-6-11/h3-9H,1-2H3,(H,18,19,20)
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n/an/a 19.1n/an/an/an/an/an/a



Lawrence Berkeley National Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human EGFR tyrosine kinase phosphorylation expressed in mouse BaF3 cells


J Med Chem 48: 7445-56 (2005)


Article DOI: 10.1021/jm050607w
BindingDB Entry DOI: 10.7270/Q26D5TT6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50370942
PNG
(CHEMBL1203936)
Show SMILES COc1cc2ncnc(Nc3cc(F)cc(c3)C(F)(F)F)c2cc1OC
Show InChI InChI=1S/C17H13F4N3O2/c1-25-14-6-12-13(7-15(14)26-2)22-8-23-16(12)24-11-4-9(17(19,20)21)3-10(18)5-11/h3-8H,1-2H3,(H,22,23,24)
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n/an/a 19.1n/an/an/an/an/an/a



Lawrence Berkeley National Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human EGFR tyrosine kinase phosphorylation expressed in mouse BaF3 cells


J Med Chem 48: 7445-56 (2005)


Article DOI: 10.1021/jm050607w
BindingDB Entry DOI: 10.7270/Q26D5TT6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50370942
PNG
(CHEMBL1203936)
Show SMILES COc1cc2ncnc(Nc3cc(F)cc(c3)C(F)(F)F)c2cc1OC
Show InChI InChI=1S/C17H13F4N3O2/c1-25-14-6-12-13(7-15(14)26-2)22-8-23-16(12)24-11-4-9(17(19,20)21)3-10(18)5-11/h3-8H,1-2H3,(H,22,23,24)
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n/an/a 20n/an/an/an/an/an/a



Lawrence Berkeley National Laboratory

Curated by ChEMBL


Assay Description
Displacement of [125I]4-(3-iodoanilino)-6,7-dimethoxyquinazoline from EGFR tyrosine kinase in human A431 cell membranes


J Med Chem 48: 7445-56 (2005)


Article DOI: 10.1021/jm050607w
BindingDB Entry DOI: 10.7270/Q26D5TT6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50370934
PNG
(CHEMBL1203940)
Show SMILES CCOc1cc2ncnc(Nc3ccc(F)cc3)c2cc1OCC
Show InChI InChI=1S/C18H18FN3O2/c1-3-23-16-9-14-15(10-17(16)24-4-2)20-11-21-18(14)22-13-7-5-12(19)6-8-13/h5-11H,3-4H2,1-2H3,(H,20,21,22)
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n/an/a 23.1n/an/an/an/an/an/a



Lawrence Berkeley National Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human EGFR tyrosine kinase phosphorylation expressed in mouse BaF3 cells


J Med Chem 48: 7445-56 (2005)


Article DOI: 10.1021/jm050607w
BindingDB Entry DOI: 10.7270/Q26D5TT6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3531
PNG
(CHEMBL541586 | CHEMBL94431 | N-(3-fluorophenyl)-6,...)
Show SMILES COc1cc2ncnc(Nc3cccc(F)c3)c2cc1OC
Show InChI InChI=1S/C16H14FN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)
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n/an/a 31.9n/an/an/an/an/an/a



Lawrence Berkeley National Laboratory

Curated by ChEMBL


Assay Description
Displacement of [125I]4-(3-iodoanilino)-6,7-dimethoxyquinazoline from EGFR tyrosine kinase in human A431 cell membranes


J Med Chem 48: 7445-56 (2005)


Article DOI: 10.1021/jm050607w
BindingDB Entry DOI: 10.7270/Q26D5TT6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4619
PNG
(Anilinoquinazoline deriv. 2 | CHEMBL1204360 | CHEM...)
Show SMILES COc1cc2ncnc(Nc3ccccc3F)c2cc1OC
Show InChI InChI=1S/C16H14FN3O2/c1-21-14-7-10-13(8-15(14)22-2)18-9-19-16(10)20-12-6-4-3-5-11(12)17/h3-9H,1-2H3,(H,18,19,20)
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n/an/a 32.2n/an/an/an/an/an/a



Lawrence Berkeley National Laboratory

Curated by ChEMBL


Assay Description
Displacement of [125I]4-(3-iodoanilino)-6,7-dimethoxyquinazoline from EGFR tyrosine kinase in human A431 cell membranes


J Med Chem 48: 7445-56 (2005)


Article DOI: 10.1021/jm050607w
BindingDB Entry DOI: 10.7270/Q26D5TT6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50177114
PNG
(CHEMBL1203938 | CHEMBL374810 | cid_1474879)
Show SMILES COc1cc2ncnc(NCc3ccc(F)cc3)c2cc1OC
Show InChI InChI=1S/C17H16FN3O2/c1-22-15-7-13-14(8-16(15)23-2)20-10-21-17(13)19-9-11-3-5-12(18)6-4-11/h3-8,10H,9H2,1-2H3,(H,19,20,21)
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n/an/a 47.7n/an/an/an/an/an/a



Lawrence Berkeley National Laboratory

Curated by ChEMBL


Assay Description
Displacement of [125I]4-(3-iodoanilino)-6,7-dimethoxyquinazoline from EGFR tyrosine kinase in human A431 cell membranes


J Med Chem 48: 7445-56 (2005)


Article DOI: 10.1021/jm050607w
BindingDB Entry DOI: 10.7270/Q26D5TT6
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4


(Homo sapiens (Human))
BDBM3032
PNG
(CHEMBL1204168 | CHEMBL29197 | N-(3-bromophenyl)-6,...)
Show SMILES COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OC
Show InChI InChI=1S/C16H14BrN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)
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n/an/a 49n/an/an/an/an/an/a



Lawrence Berkeley National Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human ErbB4 tyrosine kinase phosphorylation expressed in human CEM/4 cells


J Med Chem 48: 7445-56 (2005)


Article DOI: 10.1021/jm050607w
BindingDB Entry DOI: 10.7270/Q26D5TT6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50370943
PNG
(CHEMBL1203935)
Show SMILES CCOc1cc2ncnc(Nc3cc(F)cc(c3)C(F)(F)F)c2cc1OCC
Show InChI InChI=1S/C19H17F4N3O2/c1-3-27-16-8-14-15(9-17(16)28-4-2)24-10-25-18(14)26-13-6-11(19(21,22)23)5-12(20)7-13/h5-10H,3-4H2,1-2H3,(H,24,25,26)
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n/an/a>50n/an/an/an/an/an/a



Lawrence Berkeley National Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human EGFR tyrosine kinase phosphorylation expressed in mouse BaF3 cells


J Med Chem 48: 7445-56 (2005)


Article DOI: 10.1021/jm050607w
BindingDB Entry DOI: 10.7270/Q26D5TT6
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4


(Homo sapiens (Human))
BDBM3556
PNG
(4-[(3-Bromophenyl)amino]-6,7-diethoxyquinazoline |...)
Show SMILES CCOc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OCC
Show InChI InChI=1S/C18H18BrN3O2/c1-3-23-16-9-14-15(10-17(16)24-4-2)20-11-21-18(14)22-13-7-5-6-12(19)8-13/h5-11H,3-4H2,1-2H3,(H,20,21,22)
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n/an/a 50n/an/an/an/an/an/a



Lawrence Berkeley National Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human ErbB4 tyrosine kinase phosphorylation expressed in human CEM/4 cells


J Med Chem 48: 7445-56 (2005)


Article DOI: 10.1021/jm050607w
BindingDB Entry DOI: 10.7270/Q26D5TT6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50370944
PNG
(CHEMBL1203934)
Show SMILES COc1cc2ncnc(Nc3ccc(F)cc3)c2cc1OC
Show InChI InChI=1S/C16H14FN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-10(17)4-6-11/h3-9H,1-2H3,(H,18,19,20)
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n/an/a 51n/an/an/an/an/an/a



Lawrence Berkeley National Laboratory

Curated by ChEMBL


Assay Description
Displacement of [125I]4-(3-iodoanilino)-6,7-dimethoxyquinazoline from EGFR tyrosine kinase in human A431 cell membranes


J Med Chem 48: 7445-56 (2005)


Article DOI: 10.1021/jm050607w
BindingDB Entry DOI: 10.7270/Q26D5TT6
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4


(Homo sapiens (Human))
BDBM50095273
PNG
((6,7-Diethoxy-quinazolin-4-yl)-(3-iodo-phenyl)-ami...)
Show SMILES CCOc1cc2ncnc(Nc3cccc(I)c3)c2cc1OCC
Show InChI InChI=1S/C18H18IN3O2/c1-3-23-16-9-14-15(10-17(16)24-4-2)20-11-21-18(14)22-13-7-5-6-12(19)8-13/h5-11H,3-4H2,1-2H3,(H,20,21,22)
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n/an/a 59n/an/an/an/an/an/a



Lawrence Berkeley National Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human ErbB4 tyrosine kinase phosphorylation expressed in human CEM/4 cells


J Med Chem 48: 7445-56 (2005)


Article DOI: 10.1021/jm050607w
BindingDB Entry DOI: 10.7270/Q26D5TT6
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50095273
PNG
((6,7-Diethoxy-quinazolin-4-yl)-(3-iodo-phenyl)-ami...)
Show SMILES CCOc1cc2ncnc(Nc3cccc(I)c3)c2cc1OCC
Show InChI InChI=1S/C18H18IN3O2/c1-3-23-16-9-14-15(10-17(16)24-4-2)20-11-21-18(14)22-13-7-5-6-12(19)8-13/h5-11H,3-4H2,1-2H3,(H,20,21,22)
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n/an/a 69n/an/an/an/an/an/a



Lawrence Berkeley National Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human ErbB2 tyrosine kinase phosphorylation expressed in mouse BaF3 cells


J Med Chem 48: 7445-56 (2005)


Article DOI: 10.1021/jm050607w
BindingDB Entry DOI: 10.7270/Q26D5TT6
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4


(Homo sapiens (Human))
BDBM50370935
PNG
(CHEMBL1203937)
Show SMILES CCOc1cc2ncnc(NCc3ccc(F)cc3)c2cc1OCC
Show InChI InChI=1S/C19H20FN3O2/c1-3-24-17-9-15-16(10-18(17)25-4-2)22-12-23-19(15)21-11-13-5-7-14(20)8-6-13/h5-10,12H,3-4,11H2,1-2H3,(H,21,22,23)
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n/an/a>100n/an/an/an/an/an/a



Lawrence Berkeley National Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human ErbB4 tyrosine kinase phosphorylation expressed in human CEM/4 cells


J Med Chem 48: 7445-56 (2005)


Article DOI: 10.1021/jm050607w
BindingDB Entry DOI: 10.7270/Q26D5TT6
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM3032
PNG
(CHEMBL1204168 | CHEMBL29197 | N-(3-bromophenyl)-6,...)
Show SMILES COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OC
Show InChI InChI=1S/C16H14BrN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)
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n/an/a 143n/an/an/an/an/an/a



Lawrence Berkeley National Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human ErbB2 tyrosine kinase phosphorylation expressed in mouse BaF3 cells


J Med Chem 48: 7445-56 (2005)


Article DOI: 10.1021/jm050607w
BindingDB Entry DOI: 10.7270/Q26D5TT6
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM3556
PNG
(4-[(3-Bromophenyl)amino]-6,7-diethoxyquinazoline |...)
Show SMILES CCOc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OCC
Show InChI InChI=1S/C18H18BrN3O2/c1-3-23-16-9-14-15(10-17(16)24-4-2)20-11-21-18(14)22-13-7-5-6-12(19)8-13/h5-11H,3-4H2,1-2H3,(H,20,21,22)
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n/an/a 215n/an/an/an/an/an/a



Lawrence Berkeley National Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human ErbB2 tyrosine kinase phosphorylation expressed in mouse BaF3 cells


J Med Chem 48: 7445-56 (2005)


Article DOI: 10.1021/jm050607w
BindingDB Entry DOI: 10.7270/Q26D5TT6
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50370935
PNG
(CHEMBL1203937)
Show SMILES CCOc1cc2ncnc(NCc3ccc(F)cc3)c2cc1OCC
Show InChI InChI=1S/C19H20FN3O2/c1-3-24-17-9-15-16(10-18(17)25-4-2)22-12-23-19(15)21-11-13-5-7-14(20)8-6-13/h5-10,12H,3-4,11H2,1-2H3,(H,21,22,23)
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n/an/a 231n/an/an/an/an/an/a



Lawrence Berkeley National Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human ErbB2 tyrosine kinase phosphorylation expressed in mouse BaF3 cells


J Med Chem 48: 7445-56 (2005)


Article DOI: 10.1021/jm050607w
BindingDB Entry DOI: 10.7270/Q26D5TT6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Mus musculus)
BDBM50102422
PNG
(5-(2,5-Dihydroxy-benzylamino)-2-hydroxy-N-(3-pheny...)
Show SMILES Oc1ccc(O)c(CNc2ccc(O)c(c2)C(=O)NCCCc2ccccc2)c1
Show InChI InChI=1S/C23H24N2O4/c26-19-9-11-21(27)17(13-19)15-25-18-8-10-22(28)20(14-18)23(29)24-12-4-7-16-5-2-1-3-6-16/h1-3,5-6,8-11,13-14,25-28H,4,7,12,15H2,(H,24,29)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of epidermal growth factor receptor phosphorylation in BaF3 mouse lymphoid cells.


J Med Chem 44: 441-52 (2001)


BindingDB Entry DOI: 10.7270/Q2XP746W
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50102430
PNG
(5-(2,5-Dihydroxy-benzylamino)-2-hydroxy-N-(2-morph...)
Show SMILES Oc1ccc(O)c(CNc2ccc(O)c(c2)C(=O)NCCN2CCOCC2)c1
Show InChI InChI=1S/C20H25N3O5/c24-16-2-4-18(25)14(11-16)13-22-15-1-3-19(26)17(12-15)20(27)21-5-6-23-7-9-28-10-8-23/h1-4,11-12,22,24-26H,5-10,13H2,(H,21,27)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
In vitro inhibition of Syk protein tyrosine kinase


J Med Chem 44: 441-52 (2001)


BindingDB Entry DOI: 10.7270/Q2XP746W
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)
BDBM50102430
PNG
(5-(2,5-Dihydroxy-benzylamino)-2-hydroxy-N-(2-morph...)
Show SMILES Oc1ccc(O)c(CNc2ccc(O)c(c2)C(=O)NCCN2CCOCC2)c1
Show InChI InChI=1S/C20H25N3O5/c24-16-2-4-18(25)14(11-16)13-22-15-1-3-19(26)17(12-15)20(27)21-5-6-23-7-9-28-10-8-23/h1-4,11-12,22,24-26H,5-10,13H2,(H,21,27)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of bovine tubulin polymerization


J Med Chem 44: 441-52 (2001)


BindingDB Entry DOI: 10.7270/Q2XP746W
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)
BDBM50102428
PNG
(CHEMBL137829 | N-[2-(4-Chloro-phenyl)-ethyl]-5-(2,...)
Show SMILES Oc1ccc(O)c(CNc2ccc(O)c(c2)C(=O)NCCc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C22H21ClN2O4/c23-16-3-1-14(2-4-16)9-10-24-22(29)19-12-17(5-7-21(19)28)25-13-15-11-18(26)6-8-20(15)27/h1-8,11-12,25-28H,9-10,13H2,(H,24,29)
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n/an/a 3.20E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of bovine tubulin polymerization


J Med Chem 44: 441-52 (2001)


BindingDB Entry DOI: 10.7270/Q2XP746W
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)
BDBM50102421
PNG
(CHEMBL140774 | N-Benzyl-5-(2,5-dihydroxy-benzylami...)
Show SMILES Oc1ccc(O)c(CNc2ccc(O)c(c2)C(=O)NCc2ccccc2)c1
Show InChI InChI=1S/C21H20N2O4/c24-17-7-9-19(25)15(10-17)13-22-16-6-8-20(26)18(11-16)21(27)23-12-14-4-2-1-3-5-14/h1-11,22,24-26H,12-13H2,(H,23,27)
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n/an/a 3.20E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of bovine tubulin polymerization


J Med Chem 44: 441-52 (2001)


BindingDB Entry DOI: 10.7270/Q2XP746W
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)
BDBM50102427
PNG
(5-(2,5-Dihydroxy-benzylamino)-2-hydroxy-N-(2-pyrid...)
Show SMILES Oc1ccc(O)c(CNc2ccc(O)c(c2)C(=O)NCCc2ccccn2)c1
Show InChI InChI=1S/C21H21N3O4/c25-17-5-7-19(26)14(11-17)13-24-16-4-6-20(27)18(12-16)21(28)23-10-8-15-3-1-2-9-22-15/h1-7,9,11-12,24-27H,8,10,13H2,(H,23,28)
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n/an/a 3.60E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of bovine tubulin polymerization


J Med Chem 44: 441-52 (2001)


BindingDB Entry DOI: 10.7270/Q2XP746W
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)
BDBM50102414
PNG
(5-(2,5-Dihydroxy-benzylamino)-N-hexyl-2-hydroxy-be...)
Show SMILES CCCCCCNC(=O)c1cc(NCc2cc(O)ccc2O)ccc1O
Show InChI InChI=1S/C20H26N2O4/c1-2-3-4-5-10-21-20(26)17-12-15(6-8-19(17)25)22-13-14-11-16(23)7-9-18(14)24/h6-9,11-12,22-25H,2-5,10,13H2,1H3,(H,21,26)
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n/an/a 3.60E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of bovine tubulin polymerization


J Med Chem 44: 441-52 (2001)


BindingDB Entry DOI: 10.7270/Q2XP746W
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)
BDBM50102423
PNG
(5-(2,5-Dihydroxy-benzylamino)-2-hydroxy-N-phenethy...)
Show SMILES Oc1ccc(O)c(CNc2ccc(O)c(c2)C(=O)NCCc2ccccc2)c1
Show InChI InChI=1S/C22H22N2O4/c25-18-7-9-20(26)16(12-18)14-24-17-6-8-21(27)19(13-17)22(28)23-11-10-15-4-2-1-3-5-15/h1-9,12-13,24-27H,10-11,14H2,(H,23,28)
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n/an/a 3.60E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of bovine tubulin polymerization


J Med Chem 44: 441-52 (2001)


BindingDB Entry DOI: 10.7270/Q2XP746W
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Mus musculus)
BDBM50102415
PNG
(5-(2,5-Dihydroxy-benzylamino)-2-hydroxy-N-(1,2,3,4...)
Show SMILES Oc1ccc(O)c(CNc2ccc(O)c(c2)C(=O)NC2CCc3ccccc3C2)c1
Show InChI InChI=1S/C24H24N2O4/c27-20-8-10-22(28)17(12-20)14-25-18-7-9-23(29)21(13-18)24(30)26-19-6-5-15-3-1-2-4-16(15)11-19/h1-4,7-10,12-13,19,25,27-29H,5-6,11,14H2,(H,26,30)
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n/an/a 4.00E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of epidermal growth factor receptor phosphorylation in BaF3 mouse lymphoid cells.


J Med Chem 44: 441-52 (2001)


BindingDB Entry DOI: 10.7270/Q2XP746W
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Mus musculus)
BDBM50102416
PNG
(5-(2,5-Dihydroxy-benzylamino)-N-[2-(4-fluoro-pheny...)
Show SMILES Oc1ccc(O)c(CNc2ccc(O)c(c2)C(=O)NCCc2ccc(F)cc2)c1
Show InChI InChI=1S/C22H21FN2O4/c23-16-3-1-14(2-4-16)9-10-24-22(29)19-12-17(5-7-21(19)28)25-13-15-11-18(26)6-8-20(15)27/h1-8,11-12,25-28H,9-10,13H2,(H,24,29)
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n/an/a 4.00E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of epidermal growth factor receptor phosphorylation in BaF3 mouse lymphoid cells.


J Med Chem 44: 441-52 (2001)


BindingDB Entry DOI: 10.7270/Q2XP746W
More data for this
Ligand-Target Pair
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