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Compile Data Set for Download or QSAR

Found 42 hits Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor erbB1' AND taxid = 10090   
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
Epidermal growth factor receptor erbB1


(Mus musculus)
BDBM3294
PNG
(4-Anilinoquinazoline deriv. 45 | 4-N-(3-bromopheny...)
Show SMILES Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C14H11BrN4/c15-9-2-1-3-11(6-9)19-14-12-7-10(16)4-5-13(12)17-8-18-14/h1-8H,16H2,(H,17,18,19)
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n/an/a 40n/an/an/an/an/an/a



McGill University Health Center/Royal Victoria Hospital

Curated by ChEMBL


Assay Description
Inhibition of epidermal growth factor receptor tyrosine kinase (EGFR TK)


J Med Chem 46: 5546-51 (2003)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor erbB1


(Mus musculus)
BDBM50133373
PNG
(CHEMBL137617 | N-(3-bromophenyl)-6-[(1E)-3-methylt...)
Show SMILES CN=NNc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C15H13BrN6/c1-17-22-21-12-5-6-14-13(8-12)15(19-9-18-14)20-11-4-2-3-10(16)7-11/h2-9H,1H3,(H,17,21)(H,18,19,20)
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n/an/a 70n/an/an/an/an/an/a



McGill University Health Center/Royal Victoria Hospital

Curated by ChEMBL


Assay Description
Inhibition of epidermal growth factor receptor tyrosine kinase (EGFR TK)


J Med Chem 46: 5546-51 (2003)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor erbB1


(Mus musculus)
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<100n/an/an/an/an/an/a



NOVARTIS Limited

Curated by ChEMBL


Assay Description
Inhibition of EGF-dependent mouse keratinocyte MK cell proliferation


J Med Chem 42: 1018-26 (1999)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor erbB1


(Mus musculus)
BDBM50136231
PNG
(((2E)-3-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-...)
Show SMILES CN(CO)\N=N\c1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C16H15BrN6O/c1-23(10-24)22-21-13-5-6-15-14(8-13)16(19-9-18-15)20-12-4-2-3-11(17)7-12/h2-9,24H,10H2,1H3,(H,18,19,20)/b22-21+
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n/an/a 110n/an/an/an/an/an/a



McGill University Health Center/Royal Victoria Hospital

Curated by ChEMBL


Assay Description
Inhibition of epidermal growth factor receptor tyrosine kinase (EGFR TK)


J Med Chem 46: 5546-51 (2003)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor erbB1


(Mus musculus)
BDBM50136228
PNG
(((2E)-3-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-...)
Show SMILES CN(COC(C)=O)\N=N\c1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C18H17BrN6O2/c1-12(26)27-11-25(2)24-23-15-6-7-17-16(9-15)18(21-10-20-17)22-14-5-3-4-13(19)8-14/h3-10H,11H2,1-2H3,(H,20,21,22)/b24-23+
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n/an/a 130n/an/an/an/an/an/a



McGill University Health Center/Royal Victoria Hospital

Curated by ChEMBL


Assay Description
Inhibition of epidermal growth factor receptor tyrosine kinase (EGFR TK)


J Med Chem 46: 5546-51 (2003)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor erbB1


(Mus musculus)
BDBM50133371
PNG
(CHEMBL137189 | N-(3-methylphenyl)-6-[(1E)-3-methyl...)
Show SMILES CN=NNc1ccc2ncnc(Nc3cccc(C)c3)c2c1
Show InChI InChI=1S/C16H16N6/c1-11-4-3-5-12(8-11)20-16-14-9-13(21-22-17-2)6-7-15(14)18-10-19-16/h3-10H,1-2H3,(H,17,21)(H,18,19,20)
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n/an/a 200n/an/an/an/an/an/a



McGill University Health Center/Royal Victoria Hospital

Curated by ChEMBL


Assay Description
Inhibition of epidermal growth factor receptor tyrosine kinase (EGFR TK)


J Med Chem 46: 5546-51 (2003)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor erbB1


(Mus musculus)
BDBM50136230
PNG
(6-[(1E)-3-acetyl-3-methyltriaz-1-enyl]-N-(3-methyl...)
Show SMILES CN(\N=N\c1ccc2ncnc(Nc3cccc(C)c3)c2c1)C(C)=O
Show InChI InChI=1S/C18H18N6O/c1-12-5-4-6-14(9-12)21-18-16-10-15(22-23-24(3)13(2)25)7-8-17(16)19-11-20-18/h4-11H,1-3H3,(H,19,20,21)/b23-22+
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n/an/a 578n/an/an/an/an/an/a



McGill University Health Center/Royal Victoria Hospital

Curated by ChEMBL


Assay Description
Inhibition of epidermal growth factor receptor tyrosine kinase (EGFR TK)


J Med Chem 46: 5546-51 (2003)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor erbB1


(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)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor erbB1


(Mus musculus)
BDBM50074740
PNG
(3-(3-Chloro-phenyl)-5-hydroxy-7-methoxy-1-methyl-1...)
Show SMILES COc1cc(O)c2c(c1)n(C)cc(-c1cccc(Cl)c1)c2=O
Show InChI InChI=1S/C17H14ClNO3/c1-19-9-13(10-4-3-5-11(18)6-10)17(21)16-14(19)7-12(22-2)8-15(16)20/h3-9,20H,1-2H3
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n/an/a 2.83E+3n/an/an/an/an/an/a



NOVARTIS Limited

Curated by ChEMBL


Assay Description
Inhibition of EGF-dependent mouse keratinocyte MK cell proliferation


J Med Chem 42: 1018-26 (1999)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor erbB1


(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)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor erbB1


(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)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor erbB1


(Mus musculus)
BDBM50074739
PNG
(3-(3-Chloro-phenyl)-5-hydroxy-7-methoxy-1-phenethy...)
Show SMILES COc1cc(O)c2c(c1)n(CCc1ccccc1)cc(-c1cccc(Cl)c1)c2=O
Show InChI InChI=1S/C24H20ClNO3/c1-29-19-13-21-23(22(27)14-19)24(28)20(17-8-5-9-18(25)12-17)15-26(21)11-10-16-6-3-2-4-7-16/h2-9,12-15,27H,10-11H2,1H3
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n/an/a 4.93E+3n/an/an/an/an/an/a



NOVARTIS Limited

Curated by ChEMBL


Assay Description
Inhibition of EGF-dependent mouse keratinocyte MK cell proliferation


J Med Chem 42: 1018-26 (1999)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor erbB1


(Mus musculus)
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 8.00E+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)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor erbB1


(Mus musculus)
BDBM50074742
PNG
(CHEMBL7866 | [3-(3-Chloro-phenyl)-5-hydroxy-7-meth...)
Show SMILES COC(=O)Cn1cc(-c2cccc(Cl)c2)c(=O)c2c(O)cc(OC)cc12
Show InChI InChI=1S/C19H16ClNO5/c1-25-13-7-15-18(16(22)8-13)19(24)14(9-21(15)10-17(23)26-2)11-4-3-5-12(20)6-11/h3-9,22H,10H2,1-2H3
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n/an/a 9.55E+3n/an/an/an/an/an/a



NOVARTIS Limited

Curated by ChEMBL


Assay Description
Inhibition of EGF-dependent mouse keratinocyte MK cell proliferation


J Med Chem 42: 1018-26 (1999)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor erbB1


(Mus musculus)
BDBM50162990
PNG
(3-[1-(3-Dimethylamino-propyl)-1H-indazol-3-yl]-4-(...)
Show SMILES CN(C)CCCn1nc(C2=C(C(=O)NC2=O)c2cn(-c3cnc4ccccc4c3)c3ccccc23)c2ccccc12
Show InChI InChI=1S/C33H28N6O2/c1-37(2)16-9-17-39-28-15-8-5-12-24(28)31(36-39)30-29(32(40)35-33(30)41)25-20-38(27-14-7-4-11-23(25)27)22-18-21-10-3-6-13-26(21)34-19-22/h3-8,10-15,18-20H,9,16-17H2,1-2H3,(H,35,40,41)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Epidermal growth factor receptor in P19 cells


J Med Chem 48: 1725-8 (2005)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor erbB1


(Mus musculus)
BDBM50162994
PNG
(3-[1-(3-Dimethylamino-propyl)-1H-indazol-3-yl]-4-[...)
Show SMILES CN(C)CCCn1nc(C2=C(C(=O)NC2=O)c2cn(-c3cccc4ccccc34)c3ccccc23)c2ccccc12
Show InChI InChI=1S/C34H29N5O2/c1-37(2)19-10-20-39-29-17-8-6-15-25(29)32(36-39)31-30(33(40)35-34(31)41)26-21-38(28-16-7-5-14-24(26)28)27-18-9-12-22-11-3-4-13-23(22)27/h3-9,11-18,21H,10,19-20H2,1-2H3,(H,35,40,41)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Epidermal growth factor receptor in P19 cells


J Med Chem 48: 1725-8 (2005)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor erbB1


(Mus musculus)
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Epidermal growth factor receptor in P19 cells


J Med Chem 48: 1725-8 (2005)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor erbB1


(Mus musculus)
BDBM50162993
PNG
(3-[1-(3-Dimethylamino-propyl)-1H-indazol-3-yl]-4-(...)
Show SMILES CN(C)CCCn1nc(C2=C(C(=O)NC2=O)c2cn(-c3cccnc3)c3ccccc23)c2ccccc12
Show InChI InChI=1S/C29H26N6O2/c1-33(2)15-8-16-35-24-13-6-4-11-21(24)27(32-35)26-25(28(36)31-29(26)37)22-18-34(19-9-7-14-30-17-19)23-12-5-3-10-20(22)23/h3-7,9-14,17-18H,8,15-16H2,1-2H3,(H,31,36,37)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Epidermal growth factor receptor in P19 cells


J Med Chem 48: 1725-8 (2005)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor erbB1


(Mus musculus)
BDBM50162996
PNG
(3-[1-(3-Dimethylamino-propyl)-1H-indazol-3-yl]-4-[...)
Show SMILES CN(C)CCCn1nc(C2=C(C(=O)NC2=O)c2cn(-c3ccc4ccccc4c3)c3ccccc23)c2ccccc12
Show InChI InChI=1S/C34H29N5O2/c1-37(2)18-9-19-39-29-15-8-6-13-26(29)32(36-39)31-30(33(40)35-34(31)41)27-21-38(28-14-7-5-12-25(27)28)24-17-16-22-10-3-4-11-23(22)20-24/h3-8,10-17,20-21H,9,18-19H2,1-2H3,(H,35,40,41)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Epidermal growth factor receptor in P19 cells


J Med Chem 48: 1725-8 (2005)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor erbB1


(Mus musculus)
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 1.00E+4n/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)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor erbB1


(Mus musculus)
BDBM50162991
PNG
(3-(1-Benzo[b]thiophen-2-yl-1H-indol-3-yl)-4-[1-(3-...)
Show SMILES CN(C)CCCn1nc(C2=C(C(=O)NC2=O)c2cn(-c3csc4ccccc34)c3ccccc23)c2ccccc12
Show InChI InChI=1S/C32H27N5O2S/c1-35(2)16-9-17-37-25-14-7-4-12-22(25)30(34-37)29-28(31(38)33-32(29)39)23-18-36(24-13-6-3-10-20(23)24)26-19-40-27-15-8-5-11-21(26)27/h3-8,10-15,18-19H,9,16-17H2,1-2H3,(H,33,38,39)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Epidermal growth factor receptor in P19 cells


J Med Chem 48: 1725-8 (2005)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor erbB1


(Mus musculus)
BDBM50162998
PNG
(3-[1-(3-Dimethylamino-propyl)-1H-indazol-3-yl]-4-(...)
Show SMILES CN(C)CCCn1nc(C2=C(C(=O)NC2=O)c2cn(-c3cccs3)c3ccccc23)c2ccccc12
Show InChI InChI=1S/C28H25N5O2S/c1-31(2)14-8-15-33-22-12-6-4-10-19(22)26(30-33)25-24(27(34)29-28(25)35)20-17-32(23-13-7-16-36-23)21-11-5-3-9-18(20)21/h3-7,9-13,16-17H,8,14-15H2,1-2H3,(H,29,34,35)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Epidermal growth factor receptor in P19 cells


J Med Chem 48: 1725-8 (2005)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor erbB1


(Mus musculus)
BDBM50074743
PNG
(3-(3-Chloro-phenyl)-5,7-dihydroxy-1H-quinolin-4-on...)
Show SMILES Oc1cc(O)c2c(O)c(cnc2c1)-c1cccc(Cl)c1
Show InChI InChI=1S/C15H10ClNO3/c16-9-3-1-2-8(4-9)11-7-17-12-5-10(18)6-13(19)14(12)15(11)20/h1-7,18-19H,(H,17,20)
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n/an/a 1.02E+4n/an/an/an/an/an/a



NOVARTIS Limited

Curated by ChEMBL


Assay Description
Inhibition of EGF-dependent mouse keratinocyte MK cell proliferation


J Med Chem 42: 1018-26 (1999)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor erbB1


(Mus musculus)
BDBM50066984
PNG
(4-(5-(4-hydroxybenzyl)-4-(4-methoxybenzyl)-1-methy...)
Show SMILES COc1ccc(Cc2nc(NC3=NC(=O)N(C)C3=O)n(C)c2Cc2ccc(O)cc2)cc1
Show InChI InChI=1S/C23H23N5O4/c1-27-19(13-15-4-8-16(29)9-5-15)18(12-14-6-10-17(32-3)11-7-14)24-22(27)25-20-21(30)28(2)23(31)26-20/h4-11,29H,12-13H2,1-3H3,(H,24,25,26,31)
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n/an/a 1.13E+4n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of Epidermal growth factor receptor mediated mitogenesis of NIH3T3 cells


J Med Chem 41: 3909-11 (1998)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor erbB1


(Mus musculus)
BDBM50074744
PNG
(3-(3-Chloro-phenyl)-5-hydroxy-7-methoxy-1H-quinoli...)
Show SMILES COc1cc(O)c2c(O)c(cnc2c1)-c1cccc(Cl)c1
Show InChI InChI=1S/C16H12ClNO3/c1-21-11-6-13-15(14(19)7-11)16(20)12(8-18-13)9-3-2-4-10(17)5-9/h2-8,19H,1H3,(H,18,20)
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n/an/a 1.14E+4n/an/an/an/an/an/a



NOVARTIS Limited

Curated by ChEMBL


Assay Description
Inhibition of EGF-dependent mouse keratinocyte MK cell proliferation


J Med Chem 42: 1018-26 (1999)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor erbB1


(Mus musculus)
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 1.40E+4n/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)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor erbB1


(Mus musculus)
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 1.50E+4n/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)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor erbB1


(Mus musculus)
BDBM50074745
PNG
(3-(3-Chloro-phenyl)-5,7-dihydroxy-chromen-4-one | ...)
Show SMILES Oc1cc(O)c2c(c1)occ(-c1cccc(Cl)c1)c2=O
Show InChI InChI=1S/C15H9ClO4/c16-9-3-1-2-8(4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,17-18H
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n/an/a 1.60E+4n/an/an/an/an/an/a



NOVARTIS Limited

Curated by ChEMBL


Assay Description
Inhibition of EGF-dependent mouse keratinocyte MK cell proliferation


J Med Chem 42: 1018-26 (1999)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor erbB1


(Mus musculus)
BDBM50066983
PNG
(5-[1-(4-Hydroxy-benzyl)-4-(4-methoxy-benzyl)-1H-im...)
Show SMILES COc1ccc(Cc2cn(Cc3ccc(O)cc3)c(NC3=NC(=O)N(C)C3=O)n2)cc1
Show InChI InChI=1S/C22H21N5O4/c1-26-20(29)19(25-22(26)30)24-21-23-16(11-14-5-9-18(31-2)10-6-14)13-27(21)12-15-3-7-17(28)8-4-15/h3-10,13,28H,11-12H2,1-2H3,(H,23,24,25,30)
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n/an/a 2.27E+4n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of Epidermal growth factor receptor mediated mitogenesis of NIH3T3 cells


J Med Chem 41: 3909-11 (1998)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor erbB1


(Mus musculus)
BDBM50102418
PNG
(4-(2,5-Dihydroxy-benzylamino)-N-(3-phenyl-propyl)-...)
Show SMILES Oc1ccc(O)c(CNc2ccc(cc2)C(=O)NCCCc2ccccc2)c1
Show InChI InChI=1S/C23H24N2O3/c26-21-12-13-22(27)19(15-21)16-25-20-10-8-18(9-11-20)23(28)24-14-4-7-17-5-2-1-3-6-17/h1-3,5-6,8-13,15,25-27H,4,7,14,16H2,(H,24,28)
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n/an/a 3.30E+4n/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)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor erbB1


(Mus musculus)
BDBM50102420
PNG
(5-(2,5-Dihydroxy-benzylamino)-N-dodecyl-2-hydroxy-...)
Show SMILES CCCCCCCCCCCCNC(=O)c1cc(NCc2cc(O)ccc2O)ccc1O
Show InChI InChI=1S/C26H38N2O4/c1-2-3-4-5-6-7-8-9-10-11-16-27-26(32)23-18-21(12-14-25(23)31)28-19-20-17-22(29)13-15-24(20)30/h12-15,17-18,28-31H,2-11,16,19H2,1H3,(H,27,32)
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n/an/a 3.50E+4n/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)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor erbB1


(Mus musculus)
BDBM50102425
PNG
(CHEMBL137828 | N-[2-(4-Bromo-phenyl)-ethyl]-5-(2,5...)
Show SMILES Oc1ccc(O)c(CNc2ccc(O)c(c2)C(=O)NCCc2ccc(Br)cc2)c1
Show InChI InChI=1S/C22H21BrN2O4/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 3.50E+4n/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)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor erbB1


(Mus musculus)
BDBM50066982
PNG
(5-[1,4-Bis-(4-methoxy-benzyl)-1H-imidazol-2-ylamin...)
Show SMILES COc1ccc(Cc2cn(Cc3ccc(OC)cc3)c(NC3=NC(=O)N(C)C3=O)n2)cc1
Show InChI InChI=1S/C23H23N5O4/c1-27-21(29)20(26-23(27)30)25-22-24-17(12-15-4-8-18(31-2)9-5-15)14-28(22)13-16-6-10-19(32-3)11-7-16/h4-11,14H,12-13H2,1-3H3,(H,24,25,26,30)
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n/an/a 3.69E+4n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of Epidermal growth factor receptor mediated mitogenesis of NIH3T3 cells


J Med Chem 41: 3909-11 (1998)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor erbB1


(Mus musculus)
BDBM50074741
PNG
(3-(3-Chloro-phenyl)-5-hydroxy-7-methoxy-chromen-4-...)
Show SMILES COc1cc(O)c2c(c1)occ(-c1cccc(Cl)c1)c2=O
Show InChI InChI=1S/C16H11ClO4/c1-20-11-6-13(18)15-14(7-11)21-8-12(16(15)19)9-3-2-4-10(17)5-9/h2-8,18H,1H3
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n/an/a 4.52E+4n/an/an/an/an/an/a



NOVARTIS Limited

Curated by ChEMBL


Assay Description
Inhibition of EGF-dependent mouse keratinocyte MK cell proliferation


J Med Chem 42: 1018-26 (1999)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor erbB1


(Mus musculus)
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 4.60E+4n/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)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor erbB1


(Mus musculus)
BDBM50074746
PNG
(3-(3-Chloro-phenyl)-5,7-dimethoxy-chromen-4-one | ...)
Show SMILES COc1cc(OC)c2c(c1)occ(-c1cccc(Cl)c1)c2=O
Show InChI InChI=1S/C17H13ClO4/c1-20-12-7-14(21-2)16-15(8-12)22-9-13(17(16)19)10-4-3-5-11(18)6-10/h3-9H,1-2H3
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n/an/a 4.62E+4n/an/an/an/an/an/a



NOVARTIS Limited

Curated by ChEMBL


Assay Description
Inhibition of EGF-dependent mouse keratinocyte MK cell proliferation


J Med Chem 42: 1018-26 (1999)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor erbB1


(Mus musculus)
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>5.00E+4n/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)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor erbB1


(Mus musculus)
BDBM50102424
PNG
(5-(2,5-Dihydroxy-benzylamino)-2-hydroxy-N-[2-(4-me...)
Show SMILES COc1ccc(CCNC(=O)c2cc(NCc3cc(O)ccc3O)ccc2O)cc1
Show InChI InChI=1S/C23H24N2O5/c1-30-19-6-2-15(3-7-19)10-11-24-23(29)20-13-17(4-8-22(20)28)25-14-16-12-18(26)5-9-21(16)27/h2-9,12-13,25-28H,10-11,14H2,1H3,(H,24,29)
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n/an/a>1.00E+5n/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)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor erbB1


(Mus musculus)
BDBM50102429
PNG
(CHEMBL343071 | N-Benzyl-4-(2,5-dihydroxy-benzylami...)
Show SMILES Oc1ccc(O)c(CNc2ccc(cc2)C(=O)NCc2ccccc2)c1
Show InChI InChI=1S/C21H20N2O3/c24-19-10-11-20(25)17(12-19)14-22-18-8-6-16(7-9-18)21(26)23-13-15-4-2-1-3-5-15/h1-12,22,24-25H,13-14H2,(H,23,26)
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n/an/a>1.00E+5n/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)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor erbB1


(Mus musculus)
BDBM50102426
PNG
(4-(2,5-Dihydroxy-benzylamino)-N-phenethyl-benzamid...)
Show SMILES Oc1ccc(O)c(CNc2ccc(cc2)C(=O)NCCc2ccccc2)c1
Show InChI InChI=1S/C22H22N2O3/c25-20-10-11-21(26)18(14-20)15-24-19-8-6-17(7-9-19)22(27)23-13-12-16-4-2-1-3-5-16/h1-11,14,24-26H,12-13,15H2,(H,23,27)
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n/an/a>2.00E+5n/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)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor erbB1


(Mus musculus)
BDBM50102417
PNG
(5-(2,5-Dihydroxy-benzylamino)-2-hydroxy-N-[2-(4-hy...)
Show SMILES Oc1ccc(CCNC(=O)c2cc(NCc3cc(O)ccc3O)ccc2O)cc1
Show InChI InChI=1S/C22H22N2O5/c25-17-4-1-14(2-5-17)9-10-23-22(29)19-12-16(3-7-21(19)28)24-13-15-11-18(26)6-8-20(15)27/h1-8,11-12,24-28H,9-10,13H2,(H,23,29)
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n/an/a 3.00E+5n/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)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor erbB1


(Mus musculus)
BDBM50102419
PNG
(3-(2,5-Dihydroxy-benzylamino)-N-phenethyl-benzamid...)
Show SMILES Oc1ccc(O)c(CNc2cccc(c2)C(=O)NCCc2ccccc2)c1
Show InChI InChI=1S/C22H22N2O3/c25-20-9-10-21(26)18(14-20)15-24-19-8-4-7-17(13-19)22(27)23-12-11-16-5-2-1-3-6-16/h1-10,13-14,24-26H,11-12,15H2,(H,23,27)
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n/an/a 5.00E+5n/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)

More data for this
Ligand-Target Pair