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Compile Data Set for Download or QSAR

Found 132 hits with Last Name = 'kump' 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))
BDBM50040929
PNG
(4,5-dianilinophthalimide | 5,6-bis(phenylamino)-1H...)
Show SMILES O=C1NC(=O)c2cc(Nc3ccccc3)c(Nc3ccccc3)cc12
Show InChI InChI=1S/C20H15N3O2/c24-19-15-11-17(21-13-7-3-1-4-8-13)18(12-16(15)20(25)23-19)22-14-9-5-2-6-10-14/h1-12,21-22H,(H,23,24,25)
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160n/an/an/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
Competitive inhibition of ATP binding to EGF-R


J Med Chem 37: 1015-27 (1994)


BindingDB Entry DOI: 10.7270/Q2M32TTP
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50007064
PNG
(2-Hydroxy-4-[4-(2-nitro-vinyl)-phenoxysulfonyl]-be...)
Show SMILES OC(=O)c1ccc(cc1O)[S+]([O-])(=O)Oc1ccc(\C=C\[N+]([O-])=O)cc1
Show InChI InChI=1S/C15H11NO8S/c17-14-9-12(5-6-13(14)15(18)19)25(22,23)24-11-3-1-10(2-4-11)7-8-16(20)21/h1-9H,(H2-,17,18,19,22,23)/b8-7+
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n/an/a 54n/an/an/an/an/an/a



Ciba-Geigy Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the epidermal growth factor receptor expressed in A431 cell line


J Med Chem 34: 2328-37 (1991)


BindingDB Entry DOI: 10.7270/Q24F1RB9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50040929
PNG
(4,5-dianilinophthalimide | 5,6-bis(phenylamino)-1H...)
Show SMILES O=C1NC(=O)c2cc(Nc3ccccc3)c(Nc3ccccc3)cc12
Show InChI InChI=1S/C20H15N3O2/c24-19-15-11-17(21-13-7-3-1-4-8-13)18(12-16(15)20(25)23-19)22-14-9-5-2-6-10-14/h1-12,21-22H,(H,23,24,25)
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n/an/a 300n/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant tyrosine kinase EGF-R (EGF-R ICD)


J Med Chem 37: 1015-27 (1994)


BindingDB Entry DOI: 10.7270/Q2M32TTP
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50007083
PNG
(3-Hydroxy-4-[4-(2-nitro-vinyl)-phenoxysulfonyl]-be...)
Show SMILES OC(=O)c1ccc(c(O)c1)[S+]([O-])(=O)Oc1ccc(\C=C\[N+]([O-])=O)cc1
Show InChI InChI=1S/C15H11NO8S/c17-13-9-11(15(18)19)3-6-14(13)25(22,23)24-12-4-1-10(2-5-12)7-8-16(20)21/h1-9H,(H2-,17,18,19,22,23)/b8-7+
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n/an/a 310n/an/an/an/an/an/a



Ciba-Geigy Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the epidermal growth factor receptor expressed in A431 cell line


J Med Chem 34: 2328-37 (1991)


BindingDB Entry DOI: 10.7270/Q24F1RB9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50007072
PNG
(4-(2-nitrovinyl)phenyl 4-(methylcarbamoyl)benzenes...)
Show SMILES CNC(=O)c1ccc(cc1)[S+]([O-])(=O)Oc1ccc(\C=C\[N+]([O-])=O)cc1
Show InChI InChI=1S/C16H14N2O6S/c1-17-16(19)13-4-8-15(9-5-13)25(22,23)24-14-6-2-12(3-7-14)10-11-18(20)21/h2-11H,1H3,(H-,17,19,22,23)/b11-10+
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n/an/a 400n/an/an/an/an/an/a



Ciba-Geigy Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the epidermal growth factor receptor expressed in A431 cell line


J Med Chem 34: 2328-37 (1991)


BindingDB Entry DOI: 10.7270/Q24F1RB9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50229412
PNG
(CHEMBL453502)
Show SMILES COc1cc(\C=C\[N+]([O-])=O)ccc1OS(=O)(=O)c1ccc(cc1)C(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C26H24N6O11S/c1-40-18-10-14(8-9-32(36)37)2-7-17(18)43-44(38,39)16-5-3-15(4-6-16)26(35)41-11-19-21(33)22(34)25(42-19)31-13-30-20-23(27)28-12-29-24(20)31/h2-10,12-13,19,21-22,25,33-34H,11H2,1H3,(H2,27,28,29)/b9-8+/t19-,21-,22-,25-/m1/s1
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n/an/a 500n/an/an/an/an/an/a



Ciba-Geigy Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the epidermal growth factor receptor expressed in A431 cell line


J Med Chem 34: 2328-37 (1991)


BindingDB Entry DOI: 10.7270/Q24F1RB9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50229411
PNG
(CHEMBL505705)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COC(=O)c2ccc(cc2)S(=O)(=O)Oc2ccc(\C=C\[N+]([O-])=O)cc2)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C25H22N6O10S/c26-22-19-23(28-12-27-22)30(13-29-19)24-21(33)20(32)18(40-24)11-39-25(34)15-3-7-17(8-4-15)42(37,38)41-16-5-1-14(2-6-16)9-10-31(35)36/h1-10,12-13,18,20-21,24,32-33H,11H2,(H2,26,27,28)/b10-9+/t18-,20-,21-,24-/m1/s1
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n/an/a 600n/an/an/an/an/an/a



Ciba-Geigy Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the epidermal growth factor receptor expressed in A431 cell line


J Med Chem 34: 2328-37 (1991)


BindingDB Entry DOI: 10.7270/Q24F1RB9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50040930
PNG
(5,6-Bis-(4-fluoro-phenylamino)-isoindole-1,3-dione...)
Show SMILES Fc1ccc(Nc2cc3C(=O)NC(=O)c3cc2Nc2ccc(F)cc2)cc1
Show InChI InChI=1S/C20H13F2N3O2/c21-11-1-5-13(6-2-11)23-17-9-15-16(20(27)25-19(15)26)10-18(17)24-14-7-3-12(22)4-8-14/h1-10,23-24H,(H,25,26,27)
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n/an/a 700n/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant tyrosine kinase EGF-R (EGF-R ICD)


J Med Chem 37: 1015-27 (1994)


BindingDB Entry DOI: 10.7270/Q2M32TTP
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM19459
PNG
(5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H
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n/an/a 1.00E+3n/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant tyrosine kinase EGF-R (EGF-R ICD)


J Med Chem 37: 1015-27 (1994)


BindingDB Entry DOI: 10.7270/Q2M32TTP
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50040917
PNG
(5-(Methyl-phenyl-amino)-6-phenylamino-isoindole-1,...)
Show SMILES CN(c1ccccc1)c1cc2C(=O)NC(=O)c2cc1Nc1ccccc1
Show InChI InChI=1S/C21H17N3O2/c1-24(15-10-6-3-7-11-15)19-13-17-16(20(25)23-21(17)26)12-18(19)22-14-8-4-2-5-9-14/h2-13,22H,1H3,(H,23,25,26)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
Inhibitory activity against c-src tyrosine kinase


J Med Chem 37: 1015-27 (1994)


BindingDB Entry DOI: 10.7270/Q2M32TTP
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50007075
PNG
(4-(4-(2-nitrovinyl)phenoxysulfonyl)benzoic acid | ...)
Show SMILES OC(=O)c1ccc(cc1)[S+]([O-])(=O)Oc1ccc(\C=C\[N+]([O-])=O)cc1
Show InChI InChI=1S/C15H11NO7S/c17-15(18)12-3-7-14(8-4-12)24(21,22)23-13-5-1-11(2-6-13)9-10-16(19)20/h1-10H,(H-,17,18,21,22)/b10-9+
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n/an/a 1.00E+3n/an/an/an/an/an/a



Ciba-Geigy Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the epidermal growth factor receptor expressed in A431 cell line


J Med Chem 34: 2328-37 (1991)


BindingDB Entry DOI: 10.7270/Q24F1RB9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50007073
PNG
(4-tert-Butylcarbamoyl-benzenesulfonic acid 4-(2-ni...)
Show SMILES CC(C)(C)NC(=O)c1ccc(cc1)S(=O)(=O)Oc1ccc(\C=C\[N+]([O-])=O)cc1
Show InChI InChI=1S/C19H20N2O6S/c1-19(2,3)20-18(22)15-6-10-17(11-7-15)28(25,26)27-16-8-4-14(5-9-16)12-13-21(23)24/h4-13H,1-3H3,(H,20,22)/b13-12+
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n/an/a 1.30E+3n/an/an/an/an/an/a



Ciba-Geigy Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the epidermal growth factor receptor expressed in A431 cell line


J Med Chem 34: 2328-37 (1991)


BindingDB Entry DOI: 10.7270/Q24F1RB9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50007076
PNG
(4-(2-nitrovinyl)phenyl 4-(2-(tert-butoxycarbonylam...)
Show SMILES CC(C)(C)OC(=O)NCCNC(=O)c1ccc(cc1)[S+]([O-])(=O)Oc1ccc(C=C[N+]([O-])=O)cc1 |w:27.27|
Show InChI InChI=1S/C22H25N3O8S/c1-22(2,3)32-21(27)24-14-13-23-20(26)17-6-10-19(11-7-17)34(30,31)33-18-8-4-16(5-9-18)12-15-25(28)29/h4-12,15H,13-14H2,1-3H3,(H2-,23,24,26,27,30,31)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Ciba-Geigy Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the epidermal growth factor receptor expressed in A431 cell line


J Med Chem 34: 2328-37 (1991)


BindingDB Entry DOI: 10.7270/Q24F1RB9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50007081
PNG
(4-[4-(2-Nitro-vinyl)-phenoxysulfonyl]-benzoic acid...)
Show SMILES COC(=O)c1ccc(cc1)[S+]([O-])(=O)Oc1ccc(\C=C\[N+]([O-])=O)cc1
Show InChI InChI=1S/C16H13NO7S/c1-23-16(18)13-4-8-15(9-5-13)25(21,22)24-14-6-2-12(3-7-14)10-11-17(19)20/h2-11H,1H3/b11-10+
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n/an/a 1.50E+3n/an/an/an/an/an/a



Ciba-Geigy Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the epidermal growth factor receptor expressed in A431 cell line


J Med Chem 34: 2328-37 (1991)


BindingDB Entry DOI: 10.7270/Q24F1RB9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50007070
PNG
(2-Hydroxy-4-[4-(2-nitro-vinyl)-phenoxysulfonyl]-be...)
Show SMILES COC(=O)c1ccc(cc1O)[S+]([O-])(=O)Oc1ccc(\C=C\[N+]([O-])=O)cc1
Show InChI InChI=1S/C16H13NO8S/c1-24-16(19)14-7-6-13(10-15(14)18)26(22,23)25-12-4-2-11(3-5-12)8-9-17(20)21/h2-10H,1H3,(H-,18,19,22,23)/b9-8+
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n/an/a 1.80E+3n/an/an/an/an/an/a



Ciba-Geigy Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the epidermal growth factor receptor expressed in A431 cell line


J Med Chem 34: 2328-37 (1991)


BindingDB Entry DOI: 10.7270/Q24F1RB9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50040930
PNG
(5,6-Bis-(4-fluoro-phenylamino)-isoindole-1,3-dione...)
Show SMILES Fc1ccc(Nc2cc3C(=O)NC(=O)c3cc2Nc2ccc(F)cc2)cc1
Show InChI InChI=1S/C20H13F2N3O2/c21-11-1-5-13(6-2-11)23-17-9-15-16(20(27)25-19(15)26)10-18(17)24-14-7-3-12(22)4-8-14/h1-10,23-24H,(H,25,26,27)
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n/an/a 2.20E+3n/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
Inhibition of EGF-dependent autophosphorylation of EGF-R in human A431 cells


J Med Chem 37: 1015-27 (1994)


BindingDB Entry DOI: 10.7270/Q2M32TTP
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50040916
PNG
(5,6-Bis-(4-hydroxy-phenylamino)-isoindole-1,3-dion...)
Show SMILES Oc1ccc(Nc2cc3C(=O)NC(=O)c3cc2Nc2ccc(O)cc2)cc1
Show InChI InChI=1S/C20H15N3O4/c24-13-5-1-11(2-6-13)21-17-9-15-16(20(27)23-19(15)26)10-18(17)22-12-3-7-14(25)8-4-12/h1-10,21-22,24-25H,(H,23,26,27)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant tyrosine kinase EGF-R (EGF-R ICD)


J Med Chem 37: 1015-27 (1994)


BindingDB Entry DOI: 10.7270/Q2M32TTP
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50007087
PNG
(4-(2-methoxy-4-(2-nitroprop-1-enyl)phenoxysulfonyl...)
Show SMILES COc1cc(\C=C(/C)[N+]([O-])=O)ccc1O[S+]([O-])(=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C17H15NO8S/c1-11(18(21)22)9-12-3-8-15(16(10-12)25-2)26-27(23,24)14-6-4-13(5-7-14)17(19)20/h3-10H,1-2H3,(H-,19,20,23,24)/b11-9+
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n/an/a 2.50E+3n/an/an/an/an/an/a



Ciba-Geigy Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the epidermal growth factor receptor expressed in A431 cell line


J Med Chem 34: 2328-37 (1991)


BindingDB Entry DOI: 10.7270/Q24F1RB9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50040920
PNG
(5,6-Bis-p-tolylamino-isoindole-1,3-dione | CHEMBL7...)
Show SMILES Cc1ccc(Nc2cc3C(=O)NC(=O)c3cc2Nc2ccc(C)cc2)cc1
Show InChI InChI=1S/C22H19N3O2/c1-13-3-7-15(8-4-13)23-19-11-17-18(22(27)25-21(17)26)12-20(19)24-16-9-5-14(2)6-10-16/h3-12,23-24H,1-2H3,(H,25,26,27)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant tyrosine kinase EGF-R (EGF-R ICD)


J Med Chem 37: 1015-27 (1994)


BindingDB Entry DOI: 10.7270/Q2M32TTP
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50007077
PNG
(4-(2-methoxy-4-(2-nitrovinyl)phenoxysulfonyl)benzo...)
Show SMILES COc1cc(\C=C\[N+]([O-])=O)ccc1O[S+]([O-])(=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C16H13NO8S/c1-24-15-10-11(8-9-17(20)21)2-7-14(15)25-26(22,23)13-5-3-12(4-6-13)16(18)19/h2-10H,1H3,(H-,18,19,22,23)/b9-8+
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n/an/a 2.80E+3n/an/an/an/an/an/a



Ciba-Geigy Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the epidermal growth factor receptor expressed in A431 cell line


J Med Chem 34: 2328-37 (1991)


BindingDB Entry DOI: 10.7270/Q24F1RB9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50007084
PNG
(2-methoxy-4-(2-nitroprop-1-enyl)phenyl 4-(methylca...)
Show SMILES CNC(=O)c1ccc(cc1)[S+]([O-])(=O)Oc1ccc(\C=C(/C)[N+]([O-])=O)cc1OC
Show InChI InChI=1S/C18H18N2O7S/c1-12(20(22)23)10-13-4-9-16(17(11-13)26-3)27-28(24,25)15-7-5-14(6-8-15)18(21)19-2/h4-11H,1-3H3,(H-,19,21,24,25)/b12-10+
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n/an/a 4.00E+3n/an/an/an/an/an/a



Ciba-Geigy Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the epidermal growth factor receptor expressed in A431 cell line


J Med Chem 34: 2328-37 (1991)


BindingDB Entry DOI: 10.7270/Q24F1RB9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50040929
PNG
(4,5-dianilinophthalimide | 5,6-bis(phenylamino)-1H...)
Show SMILES O=C1NC(=O)c2cc(Nc3ccccc3)c(Nc3ccccc3)cc12
Show InChI InChI=1S/C20H15N3O2/c24-19-15-11-17(21-13-7-3-1-4-8-13)18(12-16(15)20(25)23-19)22-14-9-5-2-6-10-14/h1-12,21-22H,(H,23,24,25)
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n/an/a>4.50E+3n/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
Inhibition of EGF-dependent autophosphorylation of EGF-R in human A431 cells


J Med Chem 37: 1015-27 (1994)


BindingDB Entry DOI: 10.7270/Q2M32TTP
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50040920
PNG
(5,6-Bis-p-tolylamino-isoindole-1,3-dione | CHEMBL7...)
Show SMILES Cc1ccc(Nc2cc3C(=O)NC(=O)c3cc2Nc2ccc(C)cc2)cc1
Show InChI InChI=1S/C22H19N3O2/c1-13-3-7-15(8-4-13)23-19-11-17-18(22(27)25-21(17)26)12-20(19)24-16-9-5-14(2)6-10-16/h3-12,23-24H,1-2H3,(H,25,26,27)
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n/an/a 4.50E+3n/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
Inhibition of EGF-dependent autophosphorylation of EGF-R in human A431 cells


J Med Chem 37: 1015-27 (1994)


BindingDB Entry DOI: 10.7270/Q2M32TTP
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50007074
PNG
(4-(2-nitrovinyl)phenyl 4-(butylcarbamoyl)benzenesu...)
Show SMILES CCCCNC(=O)c1ccc(cc1)[S+]([O-])(=O)Oc1ccc(\C=C\[N+]([O-])=O)cc1
Show InChI InChI=1S/C19H20N2O6S/c1-2-3-13-20-19(22)16-6-10-18(11-7-16)28(25,26)27-17-8-4-15(5-9-17)12-14-21(23)24/h4-12,14H,2-3,13H2,1H3,(H-,20,22,25,26)/b14-12+
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n/an/a 4.80E+3n/an/an/an/an/an/a



Ciba-Geigy Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the epidermal growth factor receptor expressed in A431 cell line


J Med Chem 34: 2328-37 (1991)


BindingDB Entry DOI: 10.7270/Q24F1RB9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2


(Homo sapiens (Human))
BDBM50007080
PNG
(4-(2-Amino-ethylcarbamoyl)-benzenesulfonic acid 4-...)
Show SMILES NCCNC(=O)c1ccc(cc1)S(=O)(=O)Oc1ccc(\C=C\[N+]([O-])=O)cc1
Show InChI InChI=1S/C17H17N3O6S/c18-10-11-19-17(21)14-3-7-16(8-4-14)27(24,25)26-15-5-1-13(2-6-15)9-12-20(22)23/h1-9,12H,10-11,18H2,(H,19,21)/b12-9+
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n/an/a 5.00E+3n/an/an/an/an/an/a



Ciba-Geigy Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant v-Abl tyrosine kinase.


J Med Chem 34: 2328-37 (1991)


BindingDB Entry DOI: 10.7270/Q24F1RB9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50007080
PNG
(4-(2-Amino-ethylcarbamoyl)-benzenesulfonic acid 4-...)
Show SMILES NCCNC(=O)c1ccc(cc1)S(=O)(=O)Oc1ccc(\C=C\[N+]([O-])=O)cc1
Show InChI InChI=1S/C17H17N3O6S/c18-10-11-19-17(21)14-3-7-16(8-4-14)27(24,25)26-15-5-1-13(2-6-15)9-12-20(22)23/h1-9,12H,10-11,18H2,(H,19,21)/b12-9+
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n/an/a 5.40E+3n/an/an/an/an/an/a



Ciba-Geigy Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the epidermal growth factor receptor expressed in A431 cell line


J Med Chem 34: 2328-37 (1991)


BindingDB Entry DOI: 10.7270/Q24F1RB9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50007067
PNG
(2-[1-(4-{4-[2-nitro-(E)-1-ethenyl]phenyloxysulfony...)
Show SMILES C[C@@H](NC(=O)[C@@H](C)NC(=O)c1ccc(cc1)S(=O)(=O)Oc1ccc(\C=C\[N+]([O-])=O)cc1)C(O)=O
Show InChI InChI=1S/C21H21N3O9S/c1-13(19(25)23-14(2)21(27)28)22-20(26)16-5-9-18(10-6-16)34(31,32)33-17-7-3-15(4-8-17)11-12-24(29)30/h3-14H,1-2H3,(H,22,26)(H,23,25)(H,27,28)/b12-11+/t13-,14-/m1/s1
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n/an/a 7.00E+3n/an/an/an/an/an/a



Ciba-Geigy Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the epidermal growth factor receptor expressed in A431 cell line


J Med Chem 34: 2328-37 (1991)


BindingDB Entry DOI: 10.7270/Q24F1RB9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50007082
PNG
((E)-2-methoxy-4-(2-nitrovinyl)phenol | 2-Methoxy-4...)
Show SMILES COc1cc(\C=C\[N+]([O-])=O)ccc1O
Show InChI InChI=1S/C9H9NO4/c1-14-9-6-7(2-3-8(9)11)4-5-10(12)13/h2-6,11H,1H3/b5-4+
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n/an/a 7.90E+3n/an/an/an/an/an/a



Ciba-Geigy Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the epidermal growth factor receptor expressed in A431 cell line


J Med Chem 34: 2328-37 (1991)


BindingDB Entry DOI: 10.7270/Q24F1RB9
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50040916
PNG
(5,6-Bis-(4-hydroxy-phenylamino)-isoindole-1,3-dion...)
Show SMILES Oc1ccc(Nc2cc3C(=O)NC(=O)c3cc2Nc2ccc(O)cc2)cc1
Show InChI InChI=1S/C20H15N3O4/c24-13-5-1-11(2-6-13)21-17-9-15-16(20(27)23-19(15)26)10-18(17)22-12-3-7-14(25)8-4-12/h1-10,21-22,24-25H,(H,23,26,27)
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n/an/a 8.00E+3n/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
Inhibitory activity against c-src tyrosine kinase


J Med Chem 37: 1015-27 (1994)


BindingDB Entry DOI: 10.7270/Q2M32TTP
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50040917
PNG
(5-(Methyl-phenyl-amino)-6-phenylamino-isoindole-1,...)
Show SMILES CN(c1ccccc1)c1cc2C(=O)NC(=O)c2cc1Nc1ccccc1
Show InChI InChI=1S/C21H17N3O2/c1-24(15-10-6-3-7-11-15)19-13-17-16(20(25)23-21(17)26)12-18(19)22-14-8-4-2-5-9-14/h2-13,22H,1H3,(H,23,25,26)
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n/an/a 8.70E+3n/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant tyrosine kinase EGF-R (EGF-R ICD)


J Med Chem 37: 1015-27 (1994)


BindingDB Entry DOI: 10.7270/Q2M32TTP
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50007069
PNG
(4-(2-Nitro-vinyl)-benzene-1,2-diol | 4-(2-nitrovin...)
Show SMILES Oc1ccc(\C=C\[N+]([O-])=O)cc1O
Show InChI InChI=1S/C8H7NO4/c10-7-2-1-6(5-8(7)11)3-4-9(12)13/h1-5,10-11H/b4-3+
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n/an/a 8.80E+3n/an/an/an/an/an/a



Ciba-Geigy Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the epidermal growth factor receptor expressed in A431 cell line


J Med Chem 34: 2328-37 (1991)


BindingDB Entry DOI: 10.7270/Q24F1RB9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50007078
PNG
(4-(2-Nitro-propenyl)-benzene-1,2-diol | 4-(2-nitro...)
Show SMILES C\C(=C/c1ccc(O)c(O)c1)[N+]([O-])=O
Show InChI InChI=1S/C9H9NO4/c1-6(10(13)14)4-7-2-3-8(11)9(12)5-7/h2-5,11-12H,1H3/b6-4+
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n/an/a 9.40E+3n/an/an/an/an/an/a



Ciba-Geigy Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the epidermal growth factor receptor expressed in A431 cell line


J Med Chem 34: 2328-37 (1991)


BindingDB Entry DOI: 10.7270/Q24F1RB9
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase


(Oryctolagus cuniculus (Rabbit))
BDBM2672
PNG
(3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^...)
Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21
Show InChI InChI=1S/C20H11N3O2/c24-19-15-13-9-5-1-3-7-11(9)21-17(13)18-14(16(15)20(25)23-19)10-6-2-4-8-12(10)22-18/h1-8,21-22H,(H,23,24,25)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
Inhibitory activity was determined against protein kinase A (PKA) of rabbit


J Med Chem 37: 1015-27 (1994)


BindingDB Entry DOI: 10.7270/Q2M32TTP
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50007085
PNG
((E)-4-(2-nitrovinyl)phenol | 4-(2-Nitro-vinyl)-phe...)
Show SMILES Oc1ccc(\C=C\[N+]([O-])=O)cc1
Show InChI InChI=1S/C8H7NO3/c10-8-3-1-7(2-4-8)5-6-9(11)12/h1-6,10H/b6-5+
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n/an/a 1.01E+4n/an/an/an/an/an/a



Ciba-Geigy Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the epidermal growth factor receptor expressed in A431 cell line


J Med Chem 34: 2328-37 (1991)


BindingDB Entry DOI: 10.7270/Q24F1RB9
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Mus musculus (mouse))
BDBM50040917
PNG
(5-(Methyl-phenyl-amino)-6-phenylamino-isoindole-1,...)
Show SMILES CN(c1ccccc1)c1cc2C(=O)NC(=O)c2cc1Nc1ccccc1
Show InChI InChI=1S/C21H17N3O2/c1-24(15-10-6-3-7-11-15)19-13-17-16(20(25)23-21(17)26)12-18(19)22-14-8-4-2-5-9-14/h2-13,22H,1H3,(H,23,25,26)
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n/an/a 1.20E+4n/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
Inhibition of PDGF-dependent autophosphorylation of PDGF-R in mouse BALB/c3T3 cells


J Med Chem 37: 1015-27 (1994)


BindingDB Entry DOI: 10.7270/Q2M32TTP
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2


(Homo sapiens (Human))
BDBM50040916
PNG
(5,6-Bis-(4-hydroxy-phenylamino)-isoindole-1,3-dion...)
Show SMILES Oc1ccc(Nc2cc3C(=O)NC(=O)c3cc2Nc2ccc(O)cc2)cc1
Show InChI InChI=1S/C20H15N3O4/c24-13-5-1-11(2-6-13)21-17-9-15-16(20(27)23-19(15)26)10-18(17)22-12-3-7-14(25)8-4-12/h1-10,21-22,24-25H,(H,23,26,27)
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n/an/a 1.20E+4n/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
Inhibitory activity against v-abl tyrosine kinase


J Med Chem 37: 1015-27 (1994)


BindingDB Entry DOI: 10.7270/Q2M32TTP
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2


(Homo sapiens (Human))
BDBM50007079
PNG
(1-{4-[1-[1-(2-aminoethylcarbamoyl)-(1R)-ethylcarba...)
Show SMILES C[C@@H](NC(=O)[C@@H](C)NC(=O)c1ccc(cc1)S(=O)(=O)Oc1ccc(\C=C\[N+]([O-])=O)cc1)C(=O)NCCN
Show InChI InChI=1S/C23H27N5O8S/c1-15(21(29)25-13-12-24)26-22(30)16(2)27-23(31)18-5-9-20(10-6-18)37(34,35)36-19-7-3-17(4-8-19)11-14-28(32)33/h3-11,14-16H,12-13,24H2,1-2H3,(H,25,29)(H,26,30)(H,27,31)/b14-11+/t15-,16-/m1/s1
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n/an/a 1.50E+4n/an/an/an/an/an/a



Ciba-Geigy Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant v-Abl tyrosine kinase.


J Med Chem 34: 2328-37 (1991)


BindingDB Entry DOI: 10.7270/Q24F1RB9
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50040929
PNG
(4,5-dianilinophthalimide | 5,6-bis(phenylamino)-1H...)
Show SMILES O=C1NC(=O)c2cc(Nc3ccccc3)c(Nc3ccccc3)cc12
Show InChI InChI=1S/C20H15N3O2/c24-19-15-11-17(21-13-7-3-1-4-8-13)18(12-16(15)20(25)23-19)22-14-9-5-2-6-10-14/h1-12,21-22H,(H,23,24,25)
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n/an/a 1.60E+4n/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
Inhibitory activity against c-src tyrosine kinase


J Med Chem 37: 1015-27 (1994)


BindingDB Entry DOI: 10.7270/Q2M32TTP
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50007079
PNG
(1-{4-[1-[1-(2-aminoethylcarbamoyl)-(1R)-ethylcarba...)
Show SMILES C[C@@H](NC(=O)[C@@H](C)NC(=O)c1ccc(cc1)S(=O)(=O)Oc1ccc(\C=C\[N+]([O-])=O)cc1)C(=O)NCCN
Show InChI InChI=1S/C23H27N5O8S/c1-15(21(29)25-13-12-24)26-22(30)16(2)27-23(31)18-5-9-20(10-6-18)37(34,35)36-19-7-3-17(4-8-19)11-14-28(32)33/h3-11,14-16H,12-13,24H2,1-2H3,(H,25,29)(H,26,30)(H,27,31)/b14-11+/t15-,16-/m1/s1
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n/an/a 1.70E+4n/an/an/an/an/an/a



Ciba-Geigy Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the epidermal growth factor receptor expressed in A431 cell line


J Med Chem 34: 2328-37 (1991)


BindingDB Entry DOI: 10.7270/Q24F1RB9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50040914
PNG
(5-(4-Methoxy-phenylamino)-6-phenylamino-isoindole-...)
Show SMILES COc1ccc(Nc2cc3C(=O)NC(=O)c3cc2Nc2ccccc2)cc1
Show InChI InChI=1S/C21H17N3O3/c1-27-15-9-7-14(8-10-15)23-19-12-17-16(20(25)24-21(17)26)11-18(19)22-13-5-3-2-4-6-13/h2-12,22-23H,1H3,(H,24,25,26)
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n/an/a 1.80E+4n/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
Inhibition of EGF-dependent autophosphorylation of EGF-R in human A431 cells


J Med Chem 37: 1015-27 (1994)


BindingDB Entry DOI: 10.7270/Q2M32TTP
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50040914
PNG
(5-(4-Methoxy-phenylamino)-6-phenylamino-isoindole-...)
Show SMILES COc1ccc(Nc2cc3C(=O)NC(=O)c3cc2Nc2ccccc2)cc1
Show InChI InChI=1S/C21H17N3O3/c1-27-15-9-7-14(8-10-15)23-19-12-17-16(20(25)24-21(17)26)11-18(19)22-13-5-3-2-4-6-13/h2-12,22-23H,1H3,(H,24,25,26)
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n/an/a 1.80E+4n/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
Inhibition of EGF-dependent autophosphorylation of EGF-R in human A431 cells


J Med Chem 37: 1015-27 (1994)


BindingDB Entry DOI: 10.7270/Q2M32TTP
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2


(Homo sapiens (Human))
BDBM2583
PNG
(3,4-Bis(3-indolyl)-1H-pyrrole-2,5-dione | 3,4-bis(...)
Show SMILES O=C1NC(=O)C(=C1c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 |c:5|
Show InChI InChI=1S/C20H13N3O2/c24-19-17(13-9-21-15-7-3-1-5-11(13)15)18(20(25)23-19)14-10-22-16-8-4-2-6-12(14)16/h1-10,21-22H,(H,23,24,25)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
Inhibitory activity against v-abl tyrosine kinase


J Med Chem 37: 1015-27 (1994)


BindingDB Entry DOI: 10.7270/Q2M32TTP
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2


(Homo sapiens (Human))
BDBM50007064
PNG
(2-Hydroxy-4-[4-(2-nitro-vinyl)-phenoxysulfonyl]-be...)
Show SMILES OC(=O)c1ccc(cc1O)[S+]([O-])(=O)Oc1ccc(\C=C\[N+]([O-])=O)cc1
Show InChI InChI=1S/C15H11NO8S/c17-14-9-12(5-6-13(14)15(18)19)25(22,23)24-11-3-1-10(2-4-11)7-8-16(20)21/h1-9H,(H2-,17,18,19,22,23)/b8-7+
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n/an/a 2.70E+4n/an/an/an/an/an/a



Ciba-Geigy Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant v-Abl tyrosine kinase.


J Med Chem 34: 2328-37 (1991)


BindingDB Entry DOI: 10.7270/Q24F1RB9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2


(Homo sapiens (Human))
BDBM50007067
PNG
(2-[1-(4-{4-[2-nitro-(E)-1-ethenyl]phenyloxysulfony...)
Show SMILES C[C@@H](NC(=O)[C@@H](C)NC(=O)c1ccc(cc1)S(=O)(=O)Oc1ccc(\C=C\[N+]([O-])=O)cc1)C(O)=O
Show InChI InChI=1S/C21H21N3O9S/c1-13(19(25)23-14(2)21(27)28)22-20(26)16-5-9-18(10-6-16)34(31,32)33-17-7-3-15(4-8-17)11-12-24(29)30/h3-14H,1-2H3,(H,22,26)(H,23,25)(H,27,28)/b12-11+/t13-,14-/m1/s1
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n/an/a 3.50E+4n/an/an/an/an/an/a



Ciba-Geigy Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant v-Abl tyrosine kinase.


J Med Chem 34: 2328-37 (1991)


BindingDB Entry DOI: 10.7270/Q24F1RB9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2


(Homo sapiens (Human))
BDBM50007072
PNG
(4-(2-nitrovinyl)phenyl 4-(methylcarbamoyl)benzenes...)
Show SMILES CNC(=O)c1ccc(cc1)[S+]([O-])(=O)Oc1ccc(\C=C\[N+]([O-])=O)cc1
Show InChI InChI=1S/C16H14N2O6S/c1-17-16(19)13-4-8-15(9-5-13)25(22,23)24-14-6-2-12(3-7-14)10-11-18(20)21/h2-11H,1H3,(H-,17,19,22,23)/b11-10+
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n/an/a 3.50E+4n/an/an/an/an/an/a



Ciba-Geigy Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant v-Abl tyrosine kinase.


J Med Chem 34: 2328-37 (1991)


BindingDB Entry DOI: 10.7270/Q24F1RB9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50007071
PNG
(CHEMBL312451 | tert-butyl 2-[1-(4-{4-[2-nitro-(E)-...)
Show SMILES C[C@@H](NC(=O)c1ccc(cc1)S(=O)(=O)Oc1ccc(\C=C\[N+]([O-])=O)cc1)C(=O)N[C@H](C)C(=O)OC(C)(C)C
Show InChI InChI=1S/C25H29N3O9S/c1-16(22(29)27-17(2)24(31)36-25(3,4)5)26-23(30)19-8-12-21(13-9-19)38(34,35)37-20-10-6-18(7-11-20)14-15-28(32)33/h6-17H,1-5H3,(H,26,30)(H,27,29)/b15-14+/t16-,17-/m1/s1
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n/an/a 4.00E+4n/an/an/an/an/an/a



Ciba-Geigy Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the epidermal growth factor receptor expressed in A431 cell line


J Med Chem 34: 2328-37 (1991)


BindingDB Entry DOI: 10.7270/Q24F1RB9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2


(Homo sapiens (Human))
BDBM50007077
PNG
(4-(2-methoxy-4-(2-nitrovinyl)phenoxysulfonyl)benzo...)
Show SMILES COc1cc(\C=C\[N+]([O-])=O)ccc1O[S+]([O-])(=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C16H13NO8S/c1-24-15-10-11(8-9-17(20)21)2-7-14(15)25-26(22,23)13-5-3-12(4-6-13)16(18)19/h2-10H,1H3,(H-,18,19,22,23)/b9-8+
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n/an/a 4.00E+4n/an/an/an/an/an/a



Ciba-Geigy Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant v-Abl tyrosine kinase.


J Med Chem 34: 2328-37 (1991)


BindingDB Entry DOI: 10.7270/Q24F1RB9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50040923
PNG
(2-Methyl-5,6-bis-phenylamino-isoindole-1,3-dione |...)
Show SMILES CN1C(=O)c2cc(Nc3ccccc3)c(Nc3ccccc3)cc2C1=O
Show InChI InChI=1S/C21H17N3O2/c1-24-20(25)16-12-18(22-14-8-4-2-5-9-14)19(13-17(16)21(24)26)23-15-10-6-3-7-11-15/h2-13,22-23H,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
Inhibition of EGF-dependent autophosphorylation of EGF-R in human A431 cells


J Med Chem 37: 1015-27 (1994)


BindingDB Entry DOI: 10.7270/Q2M32TTP
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50040919
PNG
(5,6-Bis-(biphenyl-4-ylamino)-isoindole-1,3-dione |...)
Show SMILES O=C1NC(=O)c2cc(Nc3ccc(cc3)-c3ccccc3)c(Nc3ccc(cc3)-c3ccccc3)cc12
Show InChI InChI=1S/C32H23N3O2/c36-31-27-19-29(33-25-15-11-23(12-16-25)21-7-3-1-4-8-21)30(20-28(27)32(37)35-31)34-26-17-13-24(14-18-26)22-9-5-2-6-10-22/h1-20,33-34H,(H,35,36,37)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant tyrosine kinase EGF-R (EGF-R ICD)


J Med Chem 37: 1015-27 (1994)


BindingDB Entry DOI: 10.7270/Q2M32TTP
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50040922
PNG
(2-Phenyl-5,6-bis-phenylamino-isoindole-1,3-dione |...)
Show SMILES O=C1N(C(=O)c2cc(Nc3ccccc3)c(Nc3ccccc3)cc12)c1ccccc1
Show InChI InChI=1S/C26H19N3O2/c30-25-21-16-23(27-18-10-4-1-5-11-18)24(28-19-12-6-2-7-13-19)17-22(21)26(31)29(25)20-14-8-3-9-15-20/h1-17,27-28H
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n/an/a>5.00E+4n/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
Inhibition of EGF-dependent autophosphorylation of EGF-R in human A431 cells


J Med Chem 37: 1015-27 (1994)


BindingDB Entry DOI: 10.7270/Q2M32TTP
More data for this
Ligand-Target Pair
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