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PubMed code 20594859

Compile data set for download or QSAR
Found 40 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM5446
PNG
(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)
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n/an/a 30n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6x-tagged EGFR autophosphorylation expressed in Sf9 cells after 1 hr by ELISA

Bioorg Med Chem 18: 4991-6 (2010)


Article DOI: 10.1016/j.bmc.2010.06.003
BindingDB Entry DOI: 10.7270/Q2SB46QM
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM5446
PNG
(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)
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n/an/a 160n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6x-tagged HER2 autophosphorylation expressed in Sf9 cells after 1 hr by ELISA

Bioorg Med Chem 18: 4991-6 (2010)


Article DOI: 10.1016/j.bmc.2010.06.003
BindingDB Entry DOI: 10.7270/Q2SB46QM
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50322336
PNG
((E)-2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl3-(4...)
Show SMILES Cc1ncc(n1CCOC(=O)\C=C\c1ccc(cc1)-c1ccccc1)[N+]([O-])=O
Show InChI InChI=1S/C21H19N3O4/c1-16-22-15-20(24(26)27)23(16)13-14-28-21(25)12-9-17-7-10-19(11-8-17)18-5-3-2-4-6-18/h2-12,15H,13-14H2,1H3/b12-9+
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n/an/a 620n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6x-tagged EGFR autophosphorylation expressed in Sf9 cells after 1 hr by ELISA

Bioorg Med Chem 18: 4991-6 (2010)


Article DOI: 10.1016/j.bmc.2010.06.003
BindingDB Entry DOI: 10.7270/Q2SB46QM
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50322337
PNG
((E)-2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl3-(4...)
Show SMILES Cc1ncc(n1CCOC(=O)\C=C\c1ccc(OCc2ccccc2)cc1)[N+]([O-])=O
Show InChI InChI=1S/C22H21N3O5/c1-17-23-15-21(25(27)28)24(17)13-14-29-22(26)12-9-18-7-10-20(11-8-18)30-16-19-5-3-2-4-6-19/h2-12,15H,13-14,16H2,1H3/b12-9+
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n/an/a 1.27E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6x-tagged EGFR autophosphorylation expressed in Sf9 cells after 1 hr by ELISA

Bioorg Med Chem 18: 4991-6 (2010)


Article DOI: 10.1016/j.bmc.2010.06.003
BindingDB Entry DOI: 10.7270/Q2SB46QM
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM50322336
PNG
((E)-2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl3-(4...)
Show SMILES Cc1ncc(n1CCOC(=O)\C=C\c1ccc(cc1)-c1ccccc1)[N+]([O-])=O
Show InChI InChI=1S/C21H19N3O4/c1-16-22-15-20(24(26)27)23(16)13-14-28-21(25)12-9-17-7-10-19(11-8-17)18-5-3-2-4-6-18/h2-12,15H,13-14H2,1H3/b12-9+
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n/an/a 2.15E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6x-tagged HER2 autophosphorylation expressed in Sf9 cells after 1 hr by ELISA

Bioorg Med Chem 18: 4991-6 (2010)


Article DOI: 10.1016/j.bmc.2010.06.003
BindingDB Entry DOI: 10.7270/Q2SB46QM
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50322331
PNG
((E)-2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl3-(4...)
Show SMILES Cc1ncc(n1CCOC(=O)\C=C\c1ccc(Br)cc1)[N+]([O-])=O
Show InChI InChI=1S/C15H14BrN3O4/c1-11-17-10-14(19(21)22)18(11)8-9-23-15(20)7-4-12-2-5-13(16)6-3-12/h2-7,10H,8-9H2,1H3/b7-4+
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n/an/a 3.24E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6x-tagged EGFR autophosphorylation expressed in Sf9 cells after 1 hr by ELISA

Bioorg Med Chem 18: 4991-6 (2010)


Article DOI: 10.1016/j.bmc.2010.06.003
BindingDB Entry DOI: 10.7270/Q2SB46QM
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM50322337
PNG
((E)-2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl3-(4...)
Show SMILES Cc1ncc(n1CCOC(=O)\C=C\c1ccc(OCc2ccccc2)cc1)[N+]([O-])=O
Show InChI InChI=1S/C22H21N3O5/c1-17-23-15-21(25(27)28)24(17)13-14-29-22(26)12-9-18-7-10-20(11-8-18)30-16-19-5-3-2-4-6-19/h2-12,15H,13-14,16H2,1H3/b12-9+
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n/an/a 3.46E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6x-tagged HER2 autophosphorylation expressed in Sf9 cells after 1 hr by ELISA

Bioorg Med Chem 18: 4991-6 (2010)


Article DOI: 10.1016/j.bmc.2010.06.003
BindingDB Entry DOI: 10.7270/Q2SB46QM
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50322330
PNG
((E)-2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl3-(4...)
Show SMILES Cc1ncc(n1CCOC(=O)\C=C\c1ccc(Cl)cc1)[N+]([O-])=O
Show InChI InChI=1S/C15H14ClN3O4/c1-11-17-10-14(19(21)22)18(11)8-9-23-15(20)7-4-12-2-5-13(16)6-3-12/h2-7,10H,8-9H2,1H3/b7-4+
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n/an/a 3.62E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6x-tagged EGFR autophosphorylation expressed in Sf9 cells after 1 hr by ELISA

Bioorg Med Chem 18: 4991-6 (2010)


Article DOI: 10.1016/j.bmc.2010.06.003
BindingDB Entry DOI: 10.7270/Q2SB46QM
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50322327
PNG
((E)-2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 3-(...)
Show SMILES Cc1ncc(n1CCOC(=O)\C=C\c1cccc2ccccc12)[N+]([O-])=O
Show InChI InChI=1S/C19H17N3O4/c1-14-20-13-18(22(24)25)21(14)11-12-26-19(23)10-9-16-7-4-6-15-5-2-3-8-17(15)16/h2-10,13H,11-12H2,1H3/b10-9+
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n/an/a 3.88E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6x-tagged EGFR autophosphorylation expressed in Sf9 cells after 1 hr by ELISA

Bioorg Med Chem 18: 4991-6 (2010)


Article DOI: 10.1016/j.bmc.2010.06.003
BindingDB Entry DOI: 10.7270/Q2SB46QM
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50322329
PNG
((E)-2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl3-(4...)
Show SMILES Cc1ncc(n1CCOC(=O)\C=C\c1ccc(F)cc1)[N+]([O-])=O
Show InChI InChI=1S/C15H14FN3O4/c1-11-17-10-14(19(21)22)18(11)8-9-23-15(20)7-4-12-2-5-13(16)6-3-12/h2-7,10H,8-9H2,1H3/b7-4+
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n/an/a 4.12E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6x-tagged EGFR autophosphorylation expressed in Sf9 cells after 1 hr by ELISA

Bioorg Med Chem 18: 4991-6 (2010)


Article DOI: 10.1016/j.bmc.2010.06.003
BindingDB Entry DOI: 10.7270/Q2SB46QM
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM50322331
PNG
((E)-2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl3-(4...)
Show SMILES Cc1ncc(n1CCOC(=O)\C=C\c1ccc(Br)cc1)[N+]([O-])=O
Show InChI InChI=1S/C15H14BrN3O4/c1-11-17-10-14(19(21)22)18(11)8-9-23-15(20)7-4-12-2-5-13(16)6-3-12/h2-7,10H,8-9H2,1H3/b7-4+
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n/an/a 4.65E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6x-tagged HER2 autophosphorylation expressed in Sf9 cells after 1 hr by ELISA

Bioorg Med Chem 18: 4991-6 (2010)


Article DOI: 10.1016/j.bmc.2010.06.003
BindingDB Entry DOI: 10.7270/Q2SB46QM
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM50322330
PNG
((E)-2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl3-(4...)
Show SMILES Cc1ncc(n1CCOC(=O)\C=C\c1ccc(Cl)cc1)[N+]([O-])=O
Show InChI InChI=1S/C15H14ClN3O4/c1-11-17-10-14(19(21)22)18(11)8-9-23-15(20)7-4-12-2-5-13(16)6-3-12/h2-7,10H,8-9H2,1H3/b7-4+
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n/an/a 4.77E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6x-tagged HER2 autophosphorylation expressed in Sf9 cells after 1 hr by ELISA

Bioorg Med Chem 18: 4991-6 (2010)


Article DOI: 10.1016/j.bmc.2010.06.003
BindingDB Entry DOI: 10.7270/Q2SB46QM
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM50322327
PNG
((E)-2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 3-(...)
Show SMILES Cc1ncc(n1CCOC(=O)\C=C\c1cccc2ccccc12)[N+]([O-])=O
Show InChI InChI=1S/C19H17N3O4/c1-14-20-13-18(22(24)25)21(14)11-12-26-19(23)10-9-16-7-4-6-15-5-2-3-8-17(15)16/h2-10,13H,11-12H2,1H3/b10-9+
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n/an/a 5.03E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6x-tagged HER2 autophosphorylation expressed in Sf9 cells after 1 hr by ELISA

Bioorg Med Chem 18: 4991-6 (2010)


Article DOI: 10.1016/j.bmc.2010.06.003
BindingDB Entry DOI: 10.7270/Q2SB46QM
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50322328
PNG
((E)-2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 3-(...)
Show SMILES Cc1ncc(n1CCOC(=O)\C=C\c1ccc2ccccc2c1)[N+]([O-])=O
Show InChI InChI=1S/C19H17N3O4/c1-14-20-13-18(22(24)25)21(14)10-11-26-19(23)9-7-15-6-8-16-4-2-3-5-17(16)12-15/h2-9,12-13H,10-11H2,1H3/b9-7+
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n/an/a 5.76E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6x-tagged EGFR autophosphorylation expressed in Sf9 cells after 1 hr by ELISA

Bioorg Med Chem 18: 4991-6 (2010)


Article DOI: 10.1016/j.bmc.2010.06.003
BindingDB Entry DOI: 10.7270/Q2SB46QM
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM50322329
PNG
((E)-2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl3-(4...)
Show SMILES Cc1ncc(n1CCOC(=O)\C=C\c1ccc(F)cc1)[N+]([O-])=O
Show InChI InChI=1S/C15H14FN3O4/c1-11-17-10-14(19(21)22)18(11)8-9-23-15(20)7-4-12-2-5-13(16)6-3-12/h2-7,10H,8-9H2,1H3/b7-4+
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n/an/a 5.84E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6x-tagged HER2 autophosphorylation expressed in Sf9 cells after 1 hr by ELISA

Bioorg Med Chem 18: 4991-6 (2010)


Article DOI: 10.1016/j.bmc.2010.06.003
BindingDB Entry DOI: 10.7270/Q2SB46QM
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50322335
PNG
((E)-2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl3-(4...)
Show SMILES CC(C)c1ccc(\C=C\C(=O)OCCn2c(C)ncc2[N+]([O-])=O)cc1
Show InChI InChI=1S/C18H21N3O4/c1-13(2)16-7-4-15(5-8-16)6-9-18(22)25-11-10-20-14(3)19-12-17(20)21(23)24/h4-9,12-13H,10-11H2,1-3H3/b9-6+
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n/an/a 6.82E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6x-tagged EGFR autophosphorylation expressed in Sf9 cells after 1 hr by ELISA

Bioorg Med Chem 18: 4991-6 (2010)


Article DOI: 10.1016/j.bmc.2010.06.003
BindingDB Entry DOI: 10.7270/Q2SB46QM
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50322332
PNG
((E)-2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethylcinn...)
Show SMILES Cc1ncc(n1CCOC(=O)\C=C\c1ccccc1)[N+]([O-])=O
Show InChI InChI=1S/C15H15N3O4/c1-12-16-11-14(18(20)21)17(12)9-10-22-15(19)8-7-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3/b8-7+
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n/an/a 7.83E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6x-tagged EGFR autophosphorylation expressed in Sf9 cells after 1 hr by ELISA

Bioorg Med Chem 18: 4991-6 (2010)


Article DOI: 10.1016/j.bmc.2010.06.003
BindingDB Entry DOI: 10.7270/Q2SB46QM
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50322333
PNG
((E)-2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl3-p-...)
Show SMILES Cc1ncc(n1CCOC(=O)\C=C\c1ccc(C)cc1)[N+]([O-])=O
Show InChI InChI=1S/C16H17N3O4/c1-12-3-5-14(6-4-12)7-8-16(20)23-10-9-18-13(2)17-11-15(18)19(21)22/h3-8,11H,9-10H2,1-2H3/b8-7+
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n/an/a 8.11E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6x-tagged EGFR autophosphorylation expressed in Sf9 cells after 1 hr by ELISA

Bioorg Med Chem 18: 4991-6 (2010)


Article DOI: 10.1016/j.bmc.2010.06.003
BindingDB Entry DOI: 10.7270/Q2SB46QM
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM50322328
PNG
((E)-2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 3-(...)
Show SMILES Cc1ncc(n1CCOC(=O)\C=C\c1ccc2ccccc2c1)[N+]([O-])=O
Show InChI InChI=1S/C19H17N3O4/c1-14-20-13-18(22(24)25)21(14)10-11-26-19(23)9-7-15-6-8-16-4-2-3-5-17(16)12-15/h2-9,12-13H,10-11H2,1H3/b9-7+
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n/an/a 9.24E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6x-tagged HER2 autophosphorylation expressed in Sf9 cells after 1 hr by ELISA

Bioorg Med Chem 18: 4991-6 (2010)


Article DOI: 10.1016/j.bmc.2010.06.003
BindingDB Entry DOI: 10.7270/Q2SB46QM
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM50322333
PNG
((E)-2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl3-p-...)
Show SMILES Cc1ncc(n1CCOC(=O)\C=C\c1ccc(C)cc1)[N+]([O-])=O
Show InChI InChI=1S/C16H17N3O4/c1-12-3-5-14(6-4-12)7-8-16(20)23-10-9-18-13(2)17-11-15(18)19(21)22/h3-8,11H,9-10H2,1-2H3/b8-7+
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n/an/a 9.65E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6x-tagged HER2 autophosphorylation expressed in Sf9 cells after 1 hr by ELISA

Bioorg Med Chem 18: 4991-6 (2010)


Article DOI: 10.1016/j.bmc.2010.06.003
BindingDB Entry DOI: 10.7270/Q2SB46QM
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM50322335
PNG
((E)-2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl3-(4...)
Show SMILES CC(C)c1ccc(\C=C\C(=O)OCCn2c(C)ncc2[N+]([O-])=O)cc1
Show InChI InChI=1S/C18H21N3O4/c1-13(2)16-7-4-15(5-8-16)6-9-18(22)25-11-10-20-14(3)19-12-17(20)21(23)24/h4-9,12-13H,10-11H2,1-3H3/b9-6+
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n/an/a 9.97E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6x-tagged HER2 autophosphorylation expressed in Sf9 cells after 1 hr by ELISA

Bioorg Med Chem 18: 4991-6 (2010)


Article DOI: 10.1016/j.bmc.2010.06.003
BindingDB Entry DOI: 10.7270/Q2SB46QM
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM50322332
PNG
((E)-2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethylcinn...)
Show SMILES Cc1ncc(n1CCOC(=O)\C=C\c1ccccc1)[N+]([O-])=O
Show InChI InChI=1S/C15H15N3O4/c1-12-16-11-14(18(20)21)17(12)9-10-22-15(19)8-7-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3/b8-7+
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n/an/a 1.08E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6x-tagged HER2 autophosphorylation expressed in Sf9 cells after 1 hr by ELISA

Bioorg Med Chem 18: 4991-6 (2010)


Article DOI: 10.1016/j.bmc.2010.06.003
BindingDB Entry DOI: 10.7270/Q2SB46QM
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50322334
PNG
((E)-2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl3-(4...)
Show SMILES COc1ccc(\C=C\C(=O)OCCn2c(C)ncc2[N+]([O-])=O)cc1
Show InChI InChI=1S/C16H17N3O5/c1-12-17-11-15(19(21)22)18(12)9-10-24-16(20)8-5-13-3-6-14(23-2)7-4-13/h3-8,11H,9-10H2,1-2H3/b8-5+
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n/an/a 1.09E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6x-tagged EGFR autophosphorylation expressed in Sf9 cells after 1 hr by ELISA

Bioorg Med Chem 18: 4991-6 (2010)


Article DOI: 10.1016/j.bmc.2010.06.003
BindingDB Entry DOI: 10.7270/Q2SB46QM
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50322325
PNG
((E)-2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 3-(...)
Show SMILES Cc1ncc(n1CCOC(=O)\C=C\c1cccc(F)c1)[N+]([O-])=O
Show InChI InChI=1S/C15H14FN3O4/c1-11-17-10-14(19(21)22)18(11)7-8-23-15(20)6-5-12-3-2-4-13(16)9-12/h2-6,9-10H,7-8H2,1H3/b6-5+
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n/an/a 1.24E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6x-tagged EGFR autophosphorylation expressed in Sf9 cells after 1 hr by ELISA

Bioorg Med Chem 18: 4991-6 (2010)


Article DOI: 10.1016/j.bmc.2010.06.003
BindingDB Entry DOI: 10.7270/Q2SB46QM
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50322326
PNG
((E)-2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 3-(...)
Show SMILES COc1cccc(\C=C\C(=O)OCCn2c(C)ncc2[N+]([O-])=O)c1
Show InChI InChI=1S/C16H17N3O5/c1-12-17-11-15(19(21)22)18(12)8-9-24-16(20)7-6-13-4-3-5-14(10-13)23-2/h3-7,10-11H,8-9H2,1-2H3/b7-6+
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n/an/a 1.39E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6x-tagged EGFR autophosphorylation expressed in Sf9 cells after 1 hr by ELISA

Bioorg Med Chem 18: 4991-6 (2010)


Article DOI: 10.1016/j.bmc.2010.06.003
BindingDB Entry DOI: 10.7270/Q2SB46QM
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM50322334
PNG
((E)-2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl3-(4...)
Show SMILES COc1ccc(\C=C\C(=O)OCCn2c(C)ncc2[N+]([O-])=O)cc1
Show InChI InChI=1S/C16H17N3O5/c1-12-17-11-15(19(21)22)18(12)9-10-24-16(20)8-5-13-3-6-14(23-2)7-4-13/h3-8,11H,9-10H2,1-2H3/b8-5+
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n/an/a 1.43E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6x-tagged HER2 autophosphorylation expressed in Sf9 cells after 1 hr by ELISA

Bioorg Med Chem 18: 4991-6 (2010)


Article DOI: 10.1016/j.bmc.2010.06.003
BindingDB Entry DOI: 10.7270/Q2SB46QM
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50322324
PNG
((E)-2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 3-(...)
Show SMILES Cc1ncc(n1CCOC(=O)\C=C\c1cccc(c1)[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C15H14N4O6/c1-11-16-10-14(19(23)24)17(11)7-8-25-15(20)6-5-12-3-2-4-13(9-12)18(21)22/h2-6,9-10H,7-8H2,1H3/b6-5+
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n/an/a 1.45E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6x-tagged EGFR autophosphorylation expressed in Sf9 cells after 1 hr by ELISA

Bioorg Med Chem 18: 4991-6 (2010)


Article DOI: 10.1016/j.bmc.2010.06.003
BindingDB Entry DOI: 10.7270/Q2SB46QM
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM50322325
PNG
((E)-2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 3-(...)
Show SMILES Cc1ncc(n1CCOC(=O)\C=C\c1cccc(F)c1)[N+]([O-])=O
Show InChI InChI=1S/C15H14FN3O4/c1-11-17-10-14(19(21)22)18(11)7-8-23-15(20)6-5-12-3-2-4-13(16)9-12/h2-6,9-10H,7-8H2,1H3/b6-5+
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n/an/a 1.68E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6x-tagged HER2 autophosphorylation expressed in Sf9 cells after 1 hr by ELISA

Bioorg Med Chem 18: 4991-6 (2010)


Article DOI: 10.1016/j.bmc.2010.06.003
BindingDB Entry DOI: 10.7270/Q2SB46QM
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM50322326
PNG
((E)-2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 3-(...)
Show SMILES COc1cccc(\C=C\C(=O)OCCn2c(C)ncc2[N+]([O-])=O)c1
Show InChI InChI=1S/C16H17N3O5/c1-12-17-11-15(19(21)22)18(12)8-9-24-16(20)7-6-13-4-3-5-14(10-13)23-2/h3-7,10-11H,8-9H2,1-2H3/b7-6+
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n/an/a 1.88E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6x-tagged HER2 autophosphorylation expressed in Sf9 cells after 1 hr by ELISA

Bioorg Med Chem 18: 4991-6 (2010)


Article DOI: 10.1016/j.bmc.2010.06.003
BindingDB Entry DOI: 10.7270/Q2SB46QM
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM50322324
PNG
((E)-2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 3-(...)
Show SMILES Cc1ncc(n1CCOC(=O)\C=C\c1cccc(c1)[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C15H14N4O6/c1-11-16-10-14(19(23)24)17(11)7-8-25-15(20)6-5-12-3-2-4-13(9-12)18(21)22/h2-6,9-10H,7-8H2,1H3/b6-5+
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n/an/a 1.93E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6x-tagged HER2 autophosphorylation expressed in Sf9 cells after 1 hr by ELISA

Bioorg Med Chem 18: 4991-6 (2010)


Article DOI: 10.1016/j.bmc.2010.06.003
BindingDB Entry DOI: 10.7270/Q2SB46QM
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50322339
PNG
((E)-2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl3-(2...)
Show SMILES Cc1ncc(n1CCOC(=O)\C=C\c1ccccc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C15H14ClN3O4/c1-11-17-10-14(19(21)22)18(11)8-9-23-15(20)7-6-12-4-2-3-5-13(12)16/h2-7,10H,8-9H2,1H3/b7-6+
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n/an/a 2.08E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6x-tagged EGFR autophosphorylation expressed in Sf9 cells after 1 hr by ELISA

Bioorg Med Chem 18: 4991-6 (2010)


Article DOI: 10.1016/j.bmc.2010.06.003
BindingDB Entry DOI: 10.7270/Q2SB46QM
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50322340
PNG
((E)-2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl3-(2...)
Show SMILES Cc1ncc(n1CCOC(=O)\C=C\c1ccccc1Br)[N+]([O-])=O
Show InChI InChI=1S/C15H14BrN3O4/c1-11-17-10-14(19(21)22)18(11)8-9-23-15(20)7-6-12-4-2-3-5-13(12)16/h2-7,10H,8-9H2,1H3/b7-6+
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n/an/a 2.43E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6x-tagged EGFR autophosphorylation expressed in Sf9 cells after 1 hr by ELISA

Bioorg Med Chem 18: 4991-6 (2010)


Article DOI: 10.1016/j.bmc.2010.06.003
BindingDB Entry DOI: 10.7270/Q2SB46QM
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50322322
PNG
((E)-2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 3-(...)
Show SMILES Cc1ncc(n1CCOC(=O)\C=C\c1ccccc1[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C15H14N4O6/c1-11-16-10-14(19(23)24)17(11)8-9-25-15(20)7-6-12-4-2-3-5-13(12)18(21)22/h2-7,10H,8-9H2,1H3/b7-6+
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n/an/a 2.50E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6x-tagged EGFR autophosphorylation expressed in Sf9 cells after 1 hr by ELISA

Bioorg Med Chem 18: 4991-6 (2010)


Article DOI: 10.1016/j.bmc.2010.06.003
BindingDB Entry DOI: 10.7270/Q2SB46QM
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50322338
PNG
((E)-2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl3-(2...)
Show SMILES Cc1ncc(n1CCOC(=O)\C=C\c1ccccc1F)[N+]([O-])=O
Show InChI InChI=1S/C15H14FN3O4/c1-11-17-10-14(19(21)22)18(11)8-9-23-15(20)7-6-12-4-2-3-5-13(12)16/h2-7,10H,8-9H2,1H3/b7-6+
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n/an/a 2.67E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6x-tagged EGFR autophosphorylation expressed in Sf9 cells after 1 hr by ELISA

Bioorg Med Chem 18: 4991-6 (2010)


Article DOI: 10.1016/j.bmc.2010.06.003
BindingDB Entry DOI: 10.7270/Q2SB46QM
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50322323
PNG
((E)-2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 3-(...)
Show SMILES COc1ccccc1\C=C\C(=O)OCCn1c(C)ncc1[N+]([O-])=O
Show InChI InChI=1S/C16H17N3O5/c1-12-17-11-15(19(21)22)18(12)9-10-24-16(20)8-7-13-5-3-4-6-14(13)23-2/h3-8,11H,9-10H2,1-2H3/b8-7+
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n/an/a 3.20E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6x-tagged EGFR autophosphorylation expressed in Sf9 cells after 1 hr by ELISA

Bioorg Med Chem 18: 4991-6 (2010)


Article DOI: 10.1016/j.bmc.2010.06.003
BindingDB Entry DOI: 10.7270/Q2SB46QM
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM50322339
PNG
((E)-2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl3-(2...)
Show SMILES Cc1ncc(n1CCOC(=O)\C=C\c1ccccc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C15H14ClN3O4/c1-11-17-10-14(19(21)22)18(11)8-9-23-15(20)7-6-12-4-2-3-5-13(12)16/h2-7,10H,8-9H2,1H3/b7-6+
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n/an/a 3.65E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6x-tagged HER2 autophosphorylation expressed in Sf9 cells after 1 hr by ELISA

Bioorg Med Chem 18: 4991-6 (2010)


Article DOI: 10.1016/j.bmc.2010.06.003
BindingDB Entry DOI: 10.7270/Q2SB46QM
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM50322322
PNG
((E)-2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 3-(...)
Show SMILES Cc1ncc(n1CCOC(=O)\C=C\c1ccccc1[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C15H14N4O6/c1-11-16-10-14(19(23)24)17(11)8-9-25-15(20)7-6-12-4-2-3-5-13(12)18(21)22/h2-7,10H,8-9H2,1H3/b7-6+
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n/an/a 4.00E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6x-tagged HER2 autophosphorylation expressed in Sf9 cells after 1 hr by ELISA

Bioorg Med Chem 18: 4991-6 (2010)


Article DOI: 10.1016/j.bmc.2010.06.003
BindingDB Entry DOI: 10.7270/Q2SB46QM
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM50322338
PNG
((E)-2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl3-(2...)
Show SMILES Cc1ncc(n1CCOC(=O)\C=C\c1ccccc1F)[N+]([O-])=O
Show InChI InChI=1S/C15H14FN3O4/c1-11-17-10-14(19(21)22)18(11)8-9-23-15(20)7-6-12-4-2-3-5-13(12)16/h2-7,10H,8-9H2,1H3/b7-6+
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n/an/a 4.13E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6x-tagged HER2 autophosphorylation expressed in Sf9 cells after 1 hr by ELISA

Bioorg Med Chem 18: 4991-6 (2010)


Article DOI: 10.1016/j.bmc.2010.06.003
BindingDB Entry DOI: 10.7270/Q2SB46QM
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM50322340
PNG
((E)-2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl3-(2...)
Show SMILES Cc1ncc(n1CCOC(=O)\C=C\c1ccccc1Br)[N+]([O-])=O
Show InChI InChI=1S/C15H14BrN3O4/c1-11-17-10-14(19(21)22)18(11)8-9-23-15(20)7-6-12-4-2-3-5-13(12)16/h2-7,10H,8-9H2,1H3/b7-6+
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n/an/a 4.49E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6x-tagged HER2 autophosphorylation expressed in Sf9 cells after 1 hr by ELISA

Bioorg Med Chem 18: 4991-6 (2010)


Article DOI: 10.1016/j.bmc.2010.06.003
BindingDB Entry DOI: 10.7270/Q2SB46QM
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM50322323
PNG
((E)-2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 3-(...)
Show SMILES COc1ccccc1\C=C\C(=O)OCCn1c(C)ncc1[N+]([O-])=O
Show InChI InChI=1S/C16H17N3O5/c1-12-17-11-15(19(21)22)18(12)9-10-24-16(20)8-7-13-5-3-4-6-14(13)23-2/h3-8,11H,9-10H2,1-2H3/b8-7+
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n/an/a>5.00E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6x-tagged HER2 autophosphorylation expressed in Sf9 cells after 1 hr by ELISA

Bioorg Med Chem 18: 4991-6 (2010)


Article DOI: 10.1016/j.bmc.2010.06.003
BindingDB Entry DOI: 10.7270/Q2SB46QM
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%