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PubMed code 19914835

Compile data set for download or QSAR
Found 50 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 cloned EGFR autophosphorylation expressed in baculovirus-infected Sf9 cells by solid-phase ELISA

Bioorg Med Chem 18: 314-9 (2010)


Article DOI: 10.1016/j.bmc.2009.10.051
BindingDB Entry DOI: 10.7270/Q2GF0TMF
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50308605
PNG
(2-(2-(5-Bromo-2-hydroxybenzylidene)hydrazinyl)thia...)
Show SMILES Oc1csc(N=NCc2cc(Br)ccc2O)n1 |w:6.6|
Show InChI InChI=1S/C10H8BrN3O2S/c11-7-1-2-8(15)6(3-7)4-12-14-10-13-9(16)5-17-10/h1-3,5,15-16H,4H2
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n/an/a 90n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of cloned EGFR autophosphorylation expressed in baculovirus-infected Sf9 cells by solid-phase ELISA

Bioorg Med Chem 18: 314-9 (2010)


Article DOI: 10.1016/j.bmc.2009.10.051
BindingDB Entry DOI: 10.7270/Q2GF0TMF
More data for this
Ligand-Target Pair
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 cloned HER2 autophosphorylation expressed in baculovirus-infected Sf9 cells by solid-phase ELISA

Bioorg Med Chem 18: 314-9 (2010)


Article DOI: 10.1016/j.bmc.2009.10.051
BindingDB Entry DOI: 10.7270/Q2GF0TMF
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM50308605
PNG
(2-(2-(5-Bromo-2-hydroxybenzylidene)hydrazinyl)thia...)
Show SMILES Oc1csc(N=NCc2cc(Br)ccc2O)n1 |w:6.6|
Show InChI InChI=1S/C10H8BrN3O2S/c11-7-1-2-8(15)6(3-7)4-12-14-10-13-9(16)5-17-10/h1-3,5,15-16H,4H2
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n/an/a 420n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human cloned HER2 autophosphorylation expressed in baculovirus-infected Sf9 cells by solid-phase ELISA

Bioorg Med Chem 18: 314-9 (2010)


Article DOI: 10.1016/j.bmc.2009.10.051
BindingDB Entry DOI: 10.7270/Q2GF0TMF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50308606
PNG
(2-(2-(5-Chloro-2-hydroxybenzylidene)hydrazinyl)thi...)
Show SMILES Oc1csc(N=NCc2cc(Cl)ccc2O)n1 |w:6.6|
Show InChI InChI=1S/C10H8ClN3O2S/c11-7-1-2-8(15)6(3-7)4-12-14-10-13-9(16)5-17-10/h1-3,5,15-16H,4H2
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n/an/a 560n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of cloned EGFR autophosphorylation expressed in baculovirus-infected Sf9 cells by solid-phase ELISA

Bioorg Med Chem 18: 314-9 (2010)


Article DOI: 10.1016/j.bmc.2009.10.051
BindingDB Entry DOI: 10.7270/Q2GF0TMF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50308607
PNG
(2-(2-(5-Fluoro-2-hydroxybenzylidene)hydrazinyl)thi...)
Show SMILES Oc1csc(N=NCc2cc(F)ccc2O)n1 |w:6.6|
Show InChI InChI=1S/C10H8FN3O2S/c11-7-1-2-8(15)6(3-7)4-12-14-10-13-9(16)5-17-10/h1-3,5,15-16H,4H2
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n/an/a 970n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of cloned EGFR autophosphorylation expressed in baculovirus-infected Sf9 cells by solid-phase ELISA

Bioorg Med Chem 18: 314-9 (2010)


Article DOI: 10.1016/j.bmc.2009.10.051
BindingDB Entry DOI: 10.7270/Q2GF0TMF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50308608
PNG
(2-(2-(3,5-Dibromo-2-hydroxybenzylidene)hydrazinyl)...)
Show SMILES Oc1csc(N=NCc2cc(Br)cc(Br)c2O)n1 |w:6.6|
Show InChI InChI=1S/C10H7Br2N3O2S/c11-6-1-5(9(17)7(12)2-6)3-13-15-10-14-8(16)4-18-10/h1-2,4,16-17H,3H2
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n/an/a 1.24E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of cloned EGFR autophosphorylation expressed in baculovirus-infected Sf9 cells by solid-phase ELISA

Bioorg Med Chem 18: 314-9 (2010)


Article DOI: 10.1016/j.bmc.2009.10.051
BindingDB Entry DOI: 10.7270/Q2GF0TMF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50308609
PNG
(2-(2-(3,5-Dichloro-2-hydroxybenzylidene)hydrazinyl...)
Show SMILES Oc1csc(N=NCc2cc(Cl)cc(Cl)c2O)n1 |w:6.6|
Show InChI InChI=1S/C10H7Cl2N3O2S/c11-6-1-5(9(17)7(12)2-6)3-13-15-10-14-8(16)4-18-10/h1-2,4,16-17H,3H2
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n/an/a 1.46E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of cloned EGFR autophosphorylation expressed in baculovirus-infected Sf9 cells by solid-phase ELISA

Bioorg Med Chem 18: 314-9 (2010)


Article DOI: 10.1016/j.bmc.2009.10.051
BindingDB Entry DOI: 10.7270/Q2GF0TMF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50308610
PNG
(2-(2-(4-Bromobenzylidene)hydrazinyl)thiazol-4(5H)-...)
Show SMILES Oc1csc(N=NCc2ccc(Br)cc2)n1 |w:6.6|
Show InChI InChI=1S/C10H8BrN3OS/c11-8-3-1-7(2-4-8)5-12-14-10-13-9(15)6-16-10/h1-4,6,15H,5H2
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n/an/a 1.72E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of cloned EGFR autophosphorylation expressed in baculovirus-infected Sf9 cells by solid-phase ELISA

Bioorg Med Chem 18: 314-9 (2010)


Article DOI: 10.1016/j.bmc.2009.10.051
BindingDB Entry DOI: 10.7270/Q2GF0TMF
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM50308606
PNG
(2-(2-(5-Chloro-2-hydroxybenzylidene)hydrazinyl)thi...)
Show SMILES Oc1csc(N=NCc2cc(Cl)ccc2O)n1 |w:6.6|
Show InChI InChI=1S/C10H8ClN3O2S/c11-7-1-2-8(15)6(3-7)4-12-14-10-13-9(16)5-17-10/h1-3,5,15-16H,4H2
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n/an/a 1.78E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human cloned HER2 autophosphorylation expressed in baculovirus-infected Sf9 cells by solid-phase ELISA

Bioorg Med Chem 18: 314-9 (2010)


Article DOI: 10.1016/j.bmc.2009.10.051
BindingDB Entry DOI: 10.7270/Q2GF0TMF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50308611
PNG
(2-(2-(4-Chlorobenzylidene)hydrazinyl)thiazol-4(5H)...)
Show SMILES Oc1csc(N=NCc2ccc(Cl)cc2)n1 |w:6.6|
Show InChI InChI=1S/C10H8ClN3OS/c11-8-3-1-7(2-4-8)5-12-14-10-13-9(15)6-16-10/h1-4,6,15H,5H2
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n/an/a 1.94E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of cloned EGFR autophosphorylation expressed in baculovirus-infected Sf9 cells by solid-phase ELISA

Bioorg Med Chem 18: 314-9 (2010)


Article DOI: 10.1016/j.bmc.2009.10.051
BindingDB Entry DOI: 10.7270/Q2GF0TMF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50308612
PNG
(2-(2-(4-Fluorobenzylidene)hydrazinyl)thiazol-4(5H)...)
Show SMILES Oc1csc(N=NCc2ccc(F)cc2)n1 |w:6.6|
Show InChI InChI=1S/C10H8FN3OS/c11-8-3-1-7(2-4-8)5-12-14-10-13-9(15)6-16-10/h1-4,6,15H,5H2
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n/an/a 2.18E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of cloned EGFR autophosphorylation expressed in baculovirus-infected Sf9 cells by solid-phase ELISA

Bioorg Med Chem 18: 314-9 (2010)


Article DOI: 10.1016/j.bmc.2009.10.051
BindingDB Entry DOI: 10.7270/Q2GF0TMF
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM50308610
PNG
(2-(2-(4-Bromobenzylidene)hydrazinyl)thiazol-4(5H)-...)
Show SMILES Oc1csc(N=NCc2ccc(Br)cc2)n1 |w:6.6|
Show InChI InChI=1S/C10H8BrN3OS/c11-8-3-1-7(2-4-8)5-12-14-10-13-9(15)6-16-10/h1-4,6,15H,5H2
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n/an/a 2.43E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human cloned HER2 autophosphorylation expressed in baculovirus-infected Sf9 cells by solid-phase ELISA

Bioorg Med Chem 18: 314-9 (2010)


Article DOI: 10.1016/j.bmc.2009.10.051
BindingDB Entry DOI: 10.7270/Q2GF0TMF
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM50308611
PNG
(2-(2-(4-Chlorobenzylidene)hydrazinyl)thiazol-4(5H)...)
Show SMILES Oc1csc(N=NCc2ccc(Cl)cc2)n1 |w:6.6|
Show InChI InChI=1S/C10H8ClN3OS/c11-8-3-1-7(2-4-8)5-12-14-10-13-9(15)6-16-10/h1-4,6,15H,5H2
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n/an/a 2.75E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human cloned HER2 autophosphorylation expressed in baculovirus-infected Sf9 cells by solid-phase ELISA

Bioorg Med Chem 18: 314-9 (2010)


Article DOI: 10.1016/j.bmc.2009.10.051
BindingDB Entry DOI: 10.7270/Q2GF0TMF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50308613
PNG
(2-(2-(4-Methylbenzylidene)hydrazinyl)thiazol-4(5H)...)
Show SMILES Cc1ccc(CN=Nc2nc(O)cs2)cc1 |w:6.5|
Show InChI InChI=1S/C11H11N3OS/c1-8-2-4-9(5-3-8)6-12-14-11-13-10(15)7-16-11/h2-5,7,15H,6H2,1H3
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n/an/a 3.26E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of cloned EGFR autophosphorylation expressed in baculovirus-infected Sf9 cells by solid-phase ELISA

Bioorg Med Chem 18: 314-9 (2010)


Article DOI: 10.1016/j.bmc.2009.10.051
BindingDB Entry DOI: 10.7270/Q2GF0TMF
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM50308607
PNG
(2-(2-(5-Fluoro-2-hydroxybenzylidene)hydrazinyl)thi...)
Show SMILES Oc1csc(N=NCc2cc(F)ccc2O)n1 |w:6.6|
Show InChI InChI=1S/C10H8FN3O2S/c11-7-1-2-8(15)6(3-7)4-12-14-10-13-9(16)5-17-10/h1-3,5,15-16H,4H2
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n/an/a 3.59E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human cloned HER2 autophosphorylation expressed in baculovirus-infected Sf9 cells by solid-phase ELISA

Bioorg Med Chem 18: 314-9 (2010)


Article DOI: 10.1016/j.bmc.2009.10.051
BindingDB Entry DOI: 10.7270/Q2GF0TMF
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM50308608
PNG
(2-(2-(3,5-Dibromo-2-hydroxybenzylidene)hydrazinyl)...)
Show SMILES Oc1csc(N=NCc2cc(Br)cc(Br)c2O)n1 |w:6.6|
Show InChI InChI=1S/C10H7Br2N3O2S/c11-6-1-5(9(17)7(12)2-6)3-13-15-10-14-8(16)4-18-10/h1-2,4,16-17H,3H2
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n/an/a 3.73E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human cloned HER2 autophosphorylation expressed in baculovirus-infected Sf9 cells by solid-phase ELISA

Bioorg Med Chem 18: 314-9 (2010)


Article DOI: 10.1016/j.bmc.2009.10.051
BindingDB Entry DOI: 10.7270/Q2GF0TMF
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM50308612
PNG
(2-(2-(4-Fluorobenzylidene)hydrazinyl)thiazol-4(5H)...)
Show SMILES Oc1csc(N=NCc2ccc(F)cc2)n1 |w:6.6|
Show InChI InChI=1S/C10H8FN3OS/c11-8-3-1-7(2-4-8)5-12-14-10-13-9(15)6-16-10/h1-4,6,15H,5H2
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n/an/a 3.89E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human cloned HER2 autophosphorylation expressed in baculovirus-infected Sf9 cells by solid-phase ELISA

Bioorg Med Chem 18: 314-9 (2010)


Article DOI: 10.1016/j.bmc.2009.10.051
BindingDB Entry DOI: 10.7270/Q2GF0TMF
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM50308609
PNG
(2-(2-(3,5-Dichloro-2-hydroxybenzylidene)hydrazinyl...)
Show SMILES Oc1csc(N=NCc2cc(Cl)cc(Cl)c2O)n1 |w:6.6|
Show InChI InChI=1S/C10H7Cl2N3O2S/c11-6-1-5(9(17)7(12)2-6)3-13-15-10-14-8(16)4-18-10/h1-2,4,16-17H,3H2
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n/an/a 4.51E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human cloned HER2 autophosphorylation expressed in baculovirus-infected Sf9 cells by solid-phase ELISA

Bioorg Med Chem 18: 314-9 (2010)


Article DOI: 10.1016/j.bmc.2009.10.051
BindingDB Entry DOI: 10.7270/Q2GF0TMF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50308614
PNG
(2-(2-(4-Hydroxybenzylidene)hydrazinyl)thiazol-4(5H...)
Show SMILES Oc1csc(N=NCc2ccc(O)cc2)n1 |w:6.6|
Show InChI InChI=1S/C10H9N3O2S/c14-8-3-1-7(2-4-8)5-11-13-10-12-9(15)6-16-10/h1-4,6,14-15H,5H2
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n/an/a 4.71E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of cloned EGFR autophosphorylation expressed in baculovirus-infected Sf9 cells by solid-phase ELISA

Bioorg Med Chem 18: 314-9 (2010)


Article DOI: 10.1016/j.bmc.2009.10.051
BindingDB Entry DOI: 10.7270/Q2GF0TMF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50308615
PNG
(2-(2-(4-Methoxybenzylidene)hydrazinyl)thiazol-4(5H...)
Show SMILES COc1ccc(CN=Nc2nc(O)cs2)cc1 |w:7.6|
Show InChI InChI=1S/C11H11N3O2S/c1-16-9-4-2-8(3-5-9)6-12-14-11-13-10(15)7-17-11/h2-5,7,15H,6H2,1H3
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n/an/a 5.78E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of cloned EGFR autophosphorylation expressed in baculovirus-infected Sf9 cells by solid-phase ELISA

Bioorg Med Chem 18: 314-9 (2010)


Article DOI: 10.1016/j.bmc.2009.10.051
BindingDB Entry DOI: 10.7270/Q2GF0TMF
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM50308613
PNG
(2-(2-(4-Methylbenzylidene)hydrazinyl)thiazol-4(5H)...)
Show SMILES Cc1ccc(CN=Nc2nc(O)cs2)cc1 |w:6.5|
Show InChI InChI=1S/C11H11N3OS/c1-8-2-4-9(5-3-8)6-12-14-11-13-10(15)7-16-11/h2-5,7,15H,6H2,1H3
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n/an/a 5.83E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human cloned HER2 autophosphorylation expressed in baculovirus-infected Sf9 cells by solid-phase ELISA

Bioorg Med Chem 18: 314-9 (2010)


Article DOI: 10.1016/j.bmc.2009.10.051
BindingDB Entry DOI: 10.7270/Q2GF0TMF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50308616
PNG
(2-(2-(4-Nitrobenzylidene)hydrazinyl)thiazol-4(5H)-...)
Show SMILES Oc1csc(N=NCc2ccc(cc2)[N+]([O-])=O)n1 |w:6.6|
Show InChI InChI=1S/C10H8N4O3S/c15-9-6-18-10(12-9)13-11-5-7-1-3-8(4-2-7)14(16)17/h1-4,6,15H,5H2
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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 cloned EGFR autophosphorylation expressed in baculovirus-infected Sf9 cells by solid-phase ELISA

Bioorg Med Chem 18: 314-9 (2010)


Article DOI: 10.1016/j.bmc.2009.10.051
BindingDB Entry DOI: 10.7270/Q2GF0TMF
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM50308614
PNG
(2-(2-(4-Hydroxybenzylidene)hydrazinyl)thiazol-4(5H...)
Show SMILES Oc1csc(N=NCc2ccc(O)cc2)n1 |w:6.6|
Show InChI InChI=1S/C10H9N3O2S/c14-8-3-1-7(2-4-8)5-11-13-10-12-9(15)6-16-10/h1-4,6,14-15H,5H2
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n/an/a 6.93E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human cloned HER2 autophosphorylation expressed in baculovirus-infected Sf9 cells by solid-phase ELISA

Bioorg Med Chem 18: 314-9 (2010)


Article DOI: 10.1016/j.bmc.2009.10.051
BindingDB Entry DOI: 10.7270/Q2GF0TMF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50308617
PNG
(2-(2-(3-Bromobenzylidene)hydrazinyl)thiazol-4(5H)-...)
Show SMILES Oc1csc(N=NCc2cccc(Br)c2)n1 |w:6.6|
Show InChI InChI=1S/C10H8BrN3OS/c11-8-3-1-2-7(4-8)5-12-14-10-13-9(15)6-16-10/h1-4,6,15H,5H2
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n/an/a 7.46E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of cloned EGFR autophosphorylation expressed in baculovirus-infected Sf9 cells by solid-phase ELISA

Bioorg Med Chem 18: 314-9 (2010)


Article DOI: 10.1016/j.bmc.2009.10.051
BindingDB Entry DOI: 10.7270/Q2GF0TMF
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM50308616
PNG
(2-(2-(4-Nitrobenzylidene)hydrazinyl)thiazol-4(5H)-...)
Show SMILES Oc1csc(N=NCc2ccc(cc2)[N+]([O-])=O)n1 |w:6.6|
Show InChI InChI=1S/C10H8N4O3S/c15-9-6-18-10(12-9)13-11-5-7-1-3-8(4-2-7)14(16)17/h1-4,6,15H,5H2
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n/an/a 8.46E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human cloned HER2 autophosphorylation expressed in baculovirus-infected Sf9 cells by solid-phase ELISA

Bioorg Med Chem 18: 314-9 (2010)


Article DOI: 10.1016/j.bmc.2009.10.051
BindingDB Entry DOI: 10.7270/Q2GF0TMF
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM50308615
PNG
(2-(2-(4-Methoxybenzylidene)hydrazinyl)thiazol-4(5H...)
Show SMILES COc1ccc(CN=Nc2nc(O)cs2)cc1 |w:7.6|
Show InChI InChI=1S/C11H11N3O2S/c1-16-9-4-2-8(3-5-9)6-12-14-11-13-10(15)7-17-11/h2-5,7,15H,6H2,1H3
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n/an/a 9.17E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human cloned HER2 autophosphorylation expressed in baculovirus-infected Sf9 cells by solid-phase ELISA

Bioorg Med Chem 18: 314-9 (2010)


Article DOI: 10.1016/j.bmc.2009.10.051
BindingDB Entry DOI: 10.7270/Q2GF0TMF
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM50308617
PNG
(2-(2-(3-Bromobenzylidene)hydrazinyl)thiazol-4(5H)-...)
Show SMILES Oc1csc(N=NCc2cccc(Br)c2)n1 |w:6.6|
Show InChI InChI=1S/C10H8BrN3OS/c11-8-3-1-2-7(4-8)5-12-14-10-13-9(15)6-16-10/h1-4,6,15H,5H2
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n/an/a 1.03E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human cloned HER2 autophosphorylation expressed in baculovirus-infected Sf9 cells by solid-phase ELISA

Bioorg Med Chem 18: 314-9 (2010)


Article DOI: 10.1016/j.bmc.2009.10.051
BindingDB Entry DOI: 10.7270/Q2GF0TMF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50308618
PNG
(2-(2-(3-Chlorobenzylidene)hydrazinyl)thiazol-4(5H)...)
Show SMILES Oc1csc(N=NCc2cccc(Cl)c2)n1 |w:6.6|
Show InChI InChI=1S/C10H8ClN3OS/c11-8-3-1-2-7(4-8)5-12-14-10-13-9(15)6-16-10/h1-4,6,15H,5H2
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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 cloned EGFR autophosphorylation expressed in baculovirus-infected Sf9 cells by solid-phase ELISA

Bioorg Med Chem 18: 314-9 (2010)


Article DOI: 10.1016/j.bmc.2009.10.051
BindingDB Entry DOI: 10.7270/Q2GF0TMF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50308619
PNG
(2-(2-(3-Fluorobenzylidene)hydrazinyl)thiazol-4(5H)...)
Show SMILES Oc1csc(N=NCc2cccc(F)c2)n1 |w:6.6|
Show InChI InChI=1S/C10H8FN3OS/c11-8-3-1-2-7(4-8)5-12-14-10-13-9(15)6-16-10/h1-4,6,15H,5H2
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n/an/a 1.35E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of cloned EGFR autophosphorylation expressed in baculovirus-infected Sf9 cells by solid-phase ELISA

Bioorg Med Chem 18: 314-9 (2010)


Article DOI: 10.1016/j.bmc.2009.10.051
BindingDB Entry DOI: 10.7270/Q2GF0TMF
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM50308618
PNG
(2-(2-(3-Chlorobenzylidene)hydrazinyl)thiazol-4(5H)...)
Show SMILES Oc1csc(N=NCc2cccc(Cl)c2)n1 |w:6.6|
Show InChI InChI=1S/C10H8ClN3OS/c11-8-3-1-2-7(4-8)5-12-14-10-13-9(15)6-16-10/h1-4,6,15H,5H2
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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 cloned HER2 autophosphorylation expressed in baculovirus-infected Sf9 cells by solid-phase ELISA

Bioorg Med Chem 18: 314-9 (2010)


Article DOI: 10.1016/j.bmc.2009.10.051
BindingDB Entry DOI: 10.7270/Q2GF0TMF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50308620
PNG
(2-(2-(3-Hydroxybenzylidene)hydrazinyl)thiazol-4(5H...)
Show SMILES Oc1csc(N=NCc2cccc(O)c2)n1 |w:6.6|
Show InChI InChI=1S/C10H9N3O2S/c14-8-3-1-2-7(4-8)5-11-13-10-12-9(15)6-16-10/h1-4,6,14-15H,5H2
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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 cloned EGFR autophosphorylation expressed in baculovirus-infected Sf9 cells by solid-phase ELISA

Bioorg Med Chem 18: 314-9 (2010)


Article DOI: 10.1016/j.bmc.2009.10.051
BindingDB Entry DOI: 10.7270/Q2GF0TMF
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM50308619
PNG
(2-(2-(3-Fluorobenzylidene)hydrazinyl)thiazol-4(5H)...)
Show SMILES Oc1csc(N=NCc2cccc(F)c2)n1 |w:6.6|
Show InChI InChI=1S/C10H8FN3OS/c11-8-3-1-2-7(4-8)5-12-14-10-13-9(15)6-16-10/h1-4,6,15H,5H2
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n/an/a 2.18E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human cloned HER2 autophosphorylation expressed in baculovirus-infected Sf9 cells by solid-phase ELISA

Bioorg Med Chem 18: 314-9 (2010)


Article DOI: 10.1016/j.bmc.2009.10.051
BindingDB Entry DOI: 10.7270/Q2GF0TMF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50308621
PNG
(2-(2-(3-Methylbenzylidene)hydrazinyl)thiazol-4(5H)...)
Show SMILES Cc1cccc(CN=Nc2nc(O)cs2)c1 |w:7.6|
Show InChI InChI=1S/C11H11N3OS/c1-8-3-2-4-9(5-8)6-12-14-11-13-10(15)7-16-11/h2-5,7,15H,6H2,1H3
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n/an/a 2.35E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of cloned EGFR autophosphorylation expressed in baculovirus-infected Sf9 cells by solid-phase ELISA

Bioorg Med Chem 18: 314-9 (2010)


Article DOI: 10.1016/j.bmc.2009.10.051
BindingDB Entry DOI: 10.7270/Q2GF0TMF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50308622
PNG
(2-(2-(3-Nitrobenzylidene)hydrazinyl)thiazol-4(5H)-...)
Show SMILES Oc1csc(N=NCc2cccc(c2)[N+]([O-])=O)n1 |w:6.6|
Show InChI InChI=1S/C10H8N4O3S/c15-9-6-18-10(12-9)13-11-5-7-2-1-3-8(4-7)14(16)17/h1-4,6,15H,5H2
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n/an/a 2.66E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of cloned EGFR autophosphorylation expressed in baculovirus-infected Sf9 cells by solid-phase ELISA

Bioorg Med Chem 18: 314-9 (2010)


Article DOI: 10.1016/j.bmc.2009.10.051
BindingDB Entry DOI: 10.7270/Q2GF0TMF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50308623
PNG
(2-(2-Cyclooctylidenehydrazinyl)thiazol-4(5H)-one |...)
Show SMILES [#8]-c1csc(-[#7]\[#7]=[#6]-2\[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)n1
Show InChI InChI=1S/C11H17N3OS/c15-10-8-16-11(12-10)14-13-9-6-4-2-1-3-5-7-9/h8,15H,1-7H2,(H,12,14)
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n/an/a 2.70E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of cloned EGFR autophosphorylation expressed in baculovirus-infected Sf9 cells by solid-phase ELISA

Bioorg Med Chem 18: 314-9 (2010)


Article DOI: 10.1016/j.bmc.2009.10.051
BindingDB Entry DOI: 10.7270/Q2GF0TMF
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM50308620
PNG
(2-(2-(3-Hydroxybenzylidene)hydrazinyl)thiazol-4(5H...)
Show SMILES Oc1csc(N=NCc2cccc(O)c2)n1 |w:6.6|
Show InChI InChI=1S/C10H9N3O2S/c14-8-3-1-2-7(4-8)5-11-13-10-12-9(15)6-16-10/h1-4,6,14-15H,5H2
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n/an/a 2.78E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human cloned HER2 autophosphorylation expressed in baculovirus-infected Sf9 cells by solid-phase ELISA

Bioorg Med Chem 18: 314-9 (2010)


Article DOI: 10.1016/j.bmc.2009.10.051
BindingDB Entry DOI: 10.7270/Q2GF0TMF
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM50308623
PNG
(2-(2-Cyclooctylidenehydrazinyl)thiazol-4(5H)-one |...)
Show SMILES [#8]-c1csc(-[#7]\[#7]=[#6]-2\[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)n1
Show InChI InChI=1S/C11H17N3OS/c15-10-8-16-11(12-10)14-13-9-6-4-2-1-3-5-7-9/h8,15H,1-7H2,(H,12,14)
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n/an/a 3.10E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human cloned HER2 autophosphorylation expressed in baculovirus-infected Sf9 cells by solid-phase ELISA

Bioorg Med Chem 18: 314-9 (2010)


Article DOI: 10.1016/j.bmc.2009.10.051
BindingDB Entry DOI: 10.7270/Q2GF0TMF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50308624
PNG
(2-(2-(3-Methoxybenzylidene)hydrazinyl)thiazol-4(5H...)
Show SMILES COc1cccc(CN=Nc2nc(O)cs2)c1 |w:8.7|
Show InChI InChI=1S/C11H11N3O2S/c1-16-9-4-2-3-8(5-9)6-12-14-11-13-10(15)7-17-11/h2-5,7,15H,6H2,1H3
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n/an/a 3.13E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of cloned EGFR autophosphorylation expressed in baculovirus-infected Sf9 cells by solid-phase ELISA

Bioorg Med Chem 18: 314-9 (2010)


Article DOI: 10.1016/j.bmc.2009.10.051
BindingDB Entry DOI: 10.7270/Q2GF0TMF
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM50308621
PNG
(2-(2-(3-Methylbenzylidene)hydrazinyl)thiazol-4(5H)...)
Show SMILES Cc1cccc(CN=Nc2nc(O)cs2)c1 |w:7.6|
Show InChI InChI=1S/C11H11N3OS/c1-8-3-2-4-9(5-8)6-12-14-11-13-10(15)7-16-11/h2-5,7,15H,6H2,1H3
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n/an/a 3.18E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human cloned HER2 autophosphorylation expressed in baculovirus-infected Sf9 cells by solid-phase ELISA

Bioorg Med Chem 18: 314-9 (2010)


Article DOI: 10.1016/j.bmc.2009.10.051
BindingDB Entry DOI: 10.7270/Q2GF0TMF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50308625
PNG
(2-(2-Cycloheptylidenehydrazinyl)thiazol-4(5H)-one ...)
Show SMILES [#8]-c1csc(-[#7]\[#7]=[#6]-2/[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)n1
Show InChI InChI=1S/C10H15N3OS/c14-9-7-15-10(11-9)13-12-8-5-3-1-2-4-6-8/h7,14H,1-6H2,(H,11,13)
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n/an/a 3.60E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of cloned EGFR autophosphorylation expressed in baculovirus-infected Sf9 cells by solid-phase ELISA

Bioorg Med Chem 18: 314-9 (2010)


Article DOI: 10.1016/j.bmc.2009.10.051
BindingDB Entry DOI: 10.7270/Q2GF0TMF
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM50308622
PNG
(2-(2-(3-Nitrobenzylidene)hydrazinyl)thiazol-4(5H)-...)
Show SMILES Oc1csc(N=NCc2cccc(c2)[N+]([O-])=O)n1 |w:6.6|
Show InChI InChI=1S/C10H8N4O3S/c15-9-6-18-10(12-9)13-11-5-7-2-1-3-8(4-7)14(16)17/h1-4,6,15H,5H2
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n/an/a 3.76E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human cloned HER2 autophosphorylation expressed in baculovirus-infected Sf9 cells by solid-phase ELISA

Bioorg Med Chem 18: 314-9 (2010)


Article DOI: 10.1016/j.bmc.2009.10.051
BindingDB Entry DOI: 10.7270/Q2GF0TMF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50308626
PNG
(2-(2-Cyclohexylidenehydrazinyl)thiazol-4(5H)-one |...)
Show SMILES [#8]-c1csc(-[#7]\[#7]=[#6]-2\[#6]-[#6]-[#6]-[#6]-[#6]-2)n1
Show InChI InChI=1S/C9H13N3OS/c13-8-6-14-9(10-8)12-11-7-4-2-1-3-5-7/h6,13H,1-5H2,(H,10,12)
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n/an/a 4.10E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of cloned EGFR autophosphorylation expressed in baculovirus-infected Sf9 cells by solid-phase ELISA

Bioorg Med Chem 18: 314-9 (2010)


Article DOI: 10.1016/j.bmc.2009.10.051
BindingDB Entry DOI: 10.7270/Q2GF0TMF
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM50308624
PNG
(2-(2-(3-Methoxybenzylidene)hydrazinyl)thiazol-4(5H...)
Show SMILES COc1cccc(CN=Nc2nc(O)cs2)c1 |w:8.7|
Show InChI InChI=1S/C11H11N3O2S/c1-16-9-4-2-3-8(5-9)6-12-14-11-13-10(15)7-17-11/h2-5,7,15H,6H2,1H3
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n/an/a 4.55E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human cloned HER2 autophosphorylation expressed in baculovirus-infected Sf9 cells by solid-phase ELISA

Bioorg Med Chem 18: 314-9 (2010)


Article DOI: 10.1016/j.bmc.2009.10.051
BindingDB Entry DOI: 10.7270/Q2GF0TMF
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM50308625
PNG
(2-(2-Cycloheptylidenehydrazinyl)thiazol-4(5H)-one ...)
Show SMILES [#8]-c1csc(-[#7]\[#7]=[#6]-2/[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)n1
Show InChI InChI=1S/C10H15N3OS/c14-9-7-15-10(11-9)13-12-8-5-3-1-2-4-6-8/h7,14H,1-6H2,(H,11,13)
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n/an/a 4.70E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human cloned HER2 autophosphorylation expressed in baculovirus-infected Sf9 cells by solid-phase ELISA

Bioorg Med Chem 18: 314-9 (2010)


Article DOI: 10.1016/j.bmc.2009.10.051
BindingDB Entry DOI: 10.7270/Q2GF0TMF
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM50308626
PNG
(2-(2-Cyclohexylidenehydrazinyl)thiazol-4(5H)-one |...)
Show SMILES [#8]-c1csc(-[#7]\[#7]=[#6]-2\[#6]-[#6]-[#6]-[#6]-[#6]-2)n1
Show InChI InChI=1S/C9H13N3OS/c13-8-6-14-9(10-8)12-11-7-4-2-1-3-5-7/h6,13H,1-5H2,(H,10,12)
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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 cloned HER2 autophosphorylation expressed in baculovirus-infected Sf9 cells by solid-phase ELISA

Bioorg Med Chem 18: 314-9 (2010)


Article DOI: 10.1016/j.bmc.2009.10.051
BindingDB Entry DOI: 10.7270/Q2GF0TMF
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM50308628
PNG
(2-(2-Cyclopentylidenehydrazinyl)thiazol-4(5H)-one ...)
Show SMILES [#8]-c1csc(-[#7]\[#7]=[#6]-2\[#6]-[#6]-[#6]-[#6]-2)n1
Show InChI InChI=1S/C8H11N3OS/c12-7-5-13-8(9-7)11-10-6-3-1-2-4-6/h5,12H,1-4H2,(H,9,11)
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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 cloned HER2 autophosphorylation expressed in baculovirus-infected Sf9 cells by solid-phase ELISA

Bioorg Med Chem 18: 314-9 (2010)


Article DOI: 10.1016/j.bmc.2009.10.051
BindingDB Entry DOI: 10.7270/Q2GF0TMF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50308628
PNG
(2-(2-Cyclopentylidenehydrazinyl)thiazol-4(5H)-one ...)
Show SMILES [#8]-c1csc(-[#7]\[#7]=[#6]-2\[#6]-[#6]-[#6]-[#6]-2)n1
Show InChI InChI=1S/C8H11N3OS/c12-7-5-13-8(9-7)11-10-6-3-1-2-4-6/h5,12H,1-4H2,(H,9,11)
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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 cloned EGFR autophosphorylation expressed in baculovirus-infected Sf9 cells by solid-phase ELISA

Bioorg Med Chem 18: 314-9 (2010)


Article DOI: 10.1016/j.bmc.2009.10.051
BindingDB Entry DOI: 10.7270/Q2GF0TMF
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM50308627
PNG
(2-(2-Cyclobutylidenehydrazinyl)thiazol-4(5H)-one |...)
Show SMILES [#8]-c1csc(-[#7]\[#7]=[#6]-2\[#6]-[#6]-[#6]-2)n1
Show InChI InChI=1S/C7H9N3OS/c11-6-4-12-7(8-6)10-9-5-2-1-3-5/h4,11H,1-3H2,(H,8,10)
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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 cloned HER2 autophosphorylation expressed in baculovirus-infected Sf9 cells by solid-phase ELISA

Bioorg Med Chem 18: 314-9 (2010)


Article DOI: 10.1016/j.bmc.2009.10.051
BindingDB Entry DOI: 10.7270/Q2GF0TMF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50308627
PNG
(2-(2-Cyclobutylidenehydrazinyl)thiazol-4(5H)-one |...)
Show SMILES [#8]-c1csc(-[#7]\[#7]=[#6]-2\[#6]-[#6]-[#6]-2)n1
Show InChI InChI=1S/C7H9N3OS/c11-6-4-12-7(8-6)10-9-5-2-1-3-5/h4,11H,1-3H2,(H,8,10)
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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 cloned EGFR autophosphorylation expressed in baculovirus-infected Sf9 cells by solid-phase ELISA

Bioorg Med Chem 18: 314-9 (2010)


Article DOI: 10.1016/j.bmc.2009.10.051
BindingDB Entry DOI: 10.7270/Q2GF0TMF
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%