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PubMed code 26652482

Compile data set for download or QSAR
Found 64 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 200n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged EGFR cytoplasmic domain (645-1186 aa) (unknown origin) assessed as inhibition of autophosphorylation by TR-fluorometry

Bioorg Med Chem Lett 26: 677-83 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.040
BindingDB Entry DOI: 10.7270/Q2K35WH9
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50134262
PNG
(CHEMBL3746557)
Show SMILES CC(=O)N1N=C(CC1c1ccc(cc1)C(=O)OCCn1c(C)ncc1[N+]([O-])=O)c1ccc(cc1)C(F)(F)F |c:4|
Show InChI InChI=1S/C25H22F3N5O5/c1-15-29-14-23(33(36)37)31(15)11-12-38-24(35)19-5-3-18(4-6-19)22-13-21(30-32(22)16(2)34)17-7-9-20(10-8-17)25(26,27)28/h3-10,14,22H,11-13H2,1-2H3
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n/an/a 260n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged EGFR cytoplasmic domain (645-1186 aa) (unknown origin) assessed as inhibition of autophosphorylation by TR-fluorometry

Bioorg Med Chem Lett 26: 677-83 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.040
BindingDB Entry DOI: 10.7270/Q2K35WH9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50134262
PNG
(CHEMBL3746557)
Show SMILES CC(=O)N1N=C(CC1c1ccc(cc1)C(=O)OCCn1c(C)ncc1[N+]([O-])=O)c1ccc(cc1)C(F)(F)F |c:4|
Show InChI InChI=1S/C25H22F3N5O5/c1-15-29-14-23(33(36)37)31(15)11-12-38-24(35)19-5-3-18(4-6-19)22-13-21(30-32(22)16(2)34)17-7-9-20(10-8-17)25(26,27)28/h3-10,14,22H,11-13H2,1-2H3
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n/an/a 260n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged EGFR cytoplasmic domain (645-1186 aa) (unknown origin) assessed as inhibition of autophosphorylation by TR-fluorometry

Bioorg Med Chem Lett 26: 677-83 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.040
BindingDB Entry DOI: 10.7270/Q2K35WH9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM5445
PNG
(CHEMBL554 | GW572016 | LAPATINIB DITOSYLATE | Lapa...)
Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Show InChI InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35)
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n/an/a 280n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged EGFR cytoplasmic domain (645-1186 aa) (unknown origin) assessed as inhibition of autophosphorylation by TR-fluorometry

Bioorg Med Chem Lett 26: 677-83 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.040
BindingDB Entry DOI: 10.7270/Q2K35WH9
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 410n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human HER-2 cytoplasmic domain (676-1245 aa) (unknown origin) assessed as inhibition of autophosphorylation by TR-fluorometr...

Bioorg Med Chem Lett 26: 677-83 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.040
BindingDB Entry DOI: 10.7270/Q2K35WH9
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM50134262
PNG
(CHEMBL3746557)
Show SMILES CC(=O)N1N=C(CC1c1ccc(cc1)C(=O)OCCn1c(C)ncc1[N+]([O-])=O)c1ccc(cc1)C(F)(F)F |c:4|
Show InChI InChI=1S/C25H22F3N5O5/c1-15-29-14-23(33(36)37)31(15)11-12-38-24(35)19-5-3-18(4-6-19)22-13-21(30-32(22)16(2)34)17-7-9-20(10-8-17)25(26,27)28/h3-10,14,22H,11-13H2,1-2H3
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n/an/a 510n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human HER-2 cytoplasmic domain (676-1245 aa) (unknown origin) assessed as inhibition of autophosphorylation by TR-fluorometr...

Bioorg Med Chem Lett 26: 677-83 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.040
BindingDB Entry DOI: 10.7270/Q2K35WH9
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM5445
PNG
(CHEMBL554 | GW572016 | LAPATINIB DITOSYLATE | Lapa...)
Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Show InChI InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35)
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n/an/a 540n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human HER-2 cytoplasmic domain (676-1245 aa) (unknown origin) assessed as inhibition of autophosphorylation by TR-fluorometr...

Bioorg Med Chem Lett 26: 677-83 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.040
BindingDB Entry DOI: 10.7270/Q2K35WH9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50134236
PNG
(CHEMBL3746473)
Show SMILES CC(=O)N1N=C(CC1c1ccc(cc1)C(=O)OCCn1c(C)ncc1[N+]([O-])=O)c1ccc(cc1)[N+]([O-])=O |c:4|
Show InChI InChI=1S/C24H22N6O7/c1-15-25-14-23(30(35)36)27(15)11-12-37-24(32)19-5-3-18(4-6-19)22-13-21(26-28(22)16(2)31)17-7-9-20(10-8-17)29(33)34/h3-10,14,22H,11-13H2,1-2H3
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n/an/a 600n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged EGFR cytoplasmic domain (645-1186 aa) (unknown origin) assessed as inhibition of autophosphorylation by TR-fluorometry

Bioorg Med Chem Lett 26: 677-83 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.040
BindingDB Entry DOI: 10.7270/Q2K35WH9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50134236
PNG
(CHEMBL3746473)
Show SMILES CC(=O)N1N=C(CC1c1ccc(cc1)C(=O)OCCn1c(C)ncc1[N+]([O-])=O)c1ccc(cc1)[N+]([O-])=O |c:4|
Show InChI InChI=1S/C24H22N6O7/c1-15-25-14-23(30(35)36)27(15)11-12-37-24(32)19-5-3-18(4-6-19)22-13-21(26-28(22)16(2)31)17-7-9-20(10-8-17)29(33)34/h3-10,14,22H,11-13H2,1-2H3
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n/an/a 601n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged EGFR cytoplasmic domain (645-1186 aa) (unknown origin) assessed as inhibition of autophosphorylation by TR-fluorometry

Bioorg Med Chem Lett 26: 677-83 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.040
BindingDB Entry DOI: 10.7270/Q2K35WH9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50134258
PNG
(CHEMBL3746711)
Show SMILES CC(=O)N1N=C(CC1c1ccc(cc1)C(=O)OCCn1c(C)ncc1[N+]([O-])=O)c1ccc(I)cc1 |c:4|
Show InChI InChI=1S/C24H22IN5O5/c1-15-26-14-23(30(33)34)28(15)11-12-35-24(32)19-5-3-18(4-6-19)22-13-21(27-29(22)16(2)31)17-7-9-20(25)10-8-17/h3-10,14,22H,11-13H2,1-2H3
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n/an/a 1.26E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged EGFR cytoplasmic domain (645-1186 aa) (unknown origin) assessed as inhibition of autophosphorylation by TR-fluorometry

Bioorg Med Chem Lett 26: 677-83 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.040
BindingDB Entry DOI: 10.7270/Q2K35WH9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50134258
PNG
(CHEMBL3746711)
Show SMILES CC(=O)N1N=C(CC1c1ccc(cc1)C(=O)OCCn1c(C)ncc1[N+]([O-])=O)c1ccc(I)cc1 |c:4|
Show InChI InChI=1S/C24H22IN5O5/c1-15-26-14-23(30(33)34)28(15)11-12-35-24(32)19-5-3-18(4-6-19)22-13-21(27-29(22)16(2)31)17-7-9-20(25)10-8-17/h3-10,14,22H,11-13H2,1-2H3
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n/an/a 1.26E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged EGFR cytoplasmic domain (645-1186 aa) (unknown origin) assessed as inhibition of autophosphorylation by TR-fluorometry

Bioorg Med Chem Lett 26: 677-83 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.040
BindingDB Entry DOI: 10.7270/Q2K35WH9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50134241
PNG
(CHEMBL3746642)
Show SMILES CC(Cn1c(C)ncc1[N+]([O-])=O)OC(=O)c1ccc(cc1)C1CC(=NN1C(C)=O)c1ccc(cc1)[N+]([O-])=O |c:25|
Show InChI InChI=1S/C25H24N6O7/c1-15(14-28-16(2)26-13-24(28)31(36)37)38-25(33)20-6-4-19(5-7-20)23-12-22(27-29(23)17(3)32)18-8-10-21(11-9-18)30(34)35/h4-11,13,15,23H,12,14H2,1-3H3
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n/an/a 1.45E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged EGFR cytoplasmic domain (645-1186 aa) (unknown origin) assessed as inhibition of autophosphorylation by TR-fluorometry

Bioorg Med Chem Lett 26: 677-83 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.040
BindingDB Entry DOI: 10.7270/Q2K35WH9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50134241
PNG
(CHEMBL3746642)
Show SMILES CC(Cn1c(C)ncc1[N+]([O-])=O)OC(=O)c1ccc(cc1)C1CC(=NN1C(C)=O)c1ccc(cc1)[N+]([O-])=O |c:25|
Show InChI InChI=1S/C25H24N6O7/c1-15(14-28-16(2)26-13-24(28)31(36)37)38-25(33)20-6-4-19(5-7-20)23-12-22(27-29(23)17(3)32)18-8-10-21(11-9-18)30(34)35/h4-11,13,15,23H,12,14H2,1-3H3
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n/an/a 1.45E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged EGFR cytoplasmic domain (645-1186 aa) (unknown origin) assessed as inhibition of autophosphorylation by TR-fluorometry

Bioorg Med Chem Lett 26: 677-83 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.040
BindingDB Entry DOI: 10.7270/Q2K35WH9
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM50134236
PNG
(CHEMBL3746473)
Show SMILES CC(=O)N1N=C(CC1c1ccc(cc1)C(=O)OCCn1c(C)ncc1[N+]([O-])=O)c1ccc(cc1)[N+]([O-])=O |c:4|
Show InChI InChI=1S/C24H22N6O7/c1-15-25-14-23(30(35)36)27(15)11-12-37-24(32)19-5-3-18(4-6-19)22-13-21(26-28(22)16(2)31)17-7-9-20(10-8-17)29(33)34/h3-10,14,22H,11-13H2,1-2H3
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n/an/a 2.06E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human HER-2 cytoplasmic domain (676-1245 aa) (unknown origin) assessed as inhibition of autophosphorylation by TR-fluorometr...

Bioorg Med Chem Lett 26: 677-83 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.040
BindingDB Entry DOI: 10.7270/Q2K35WH9
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM50134258
PNG
(CHEMBL3746711)
Show SMILES CC(=O)N1N=C(CC1c1ccc(cc1)C(=O)OCCn1c(C)ncc1[N+]([O-])=O)c1ccc(I)cc1 |c:4|
Show InChI InChI=1S/C24H22IN5O5/c1-15-26-14-23(30(33)34)28(15)11-12-35-24(32)19-5-3-18(4-6-19)22-13-21(27-29(22)16(2)31)17-7-9-20(25)10-8-17/h3-10,14,22H,11-13H2,1-2H3
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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 His-tagged human HER-2 cytoplasmic domain (676-1245 aa) (unknown origin) assessed as inhibition of autophosphorylation by TR-fluorometr...

Bioorg Med Chem Lett 26: 677-83 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.040
BindingDB Entry DOI: 10.7270/Q2K35WH9
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM50134264
PNG
(CHEMBL3746212)
Show SMILES CC(=O)N1N=C(CC1c1ccc(cc1)C(=O)OCCn1c(C)ncc1[N+]([O-])=O)c1ccc(Br)cc1 |c:4|
Show InChI InChI=1S/C24H22BrN5O5/c1-15-26-14-23(30(33)34)28(15)11-12-35-24(32)19-5-3-18(4-6-19)22-13-21(27-29(22)16(2)31)17-7-9-20(25)10-8-17/h3-10,14,22H,11-13H2,1-2H3
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n/an/a 3.45E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human HER-2 cytoplasmic domain (676-1245 aa) (unknown origin) assessed as inhibition of autophosphorylation by TR-fluorometr...

Bioorg Med Chem Lett 26: 677-83 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.040
BindingDB Entry DOI: 10.7270/Q2K35WH9
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM50134241
PNG
(CHEMBL3746642)
Show SMILES CC(Cn1c(C)ncc1[N+]([O-])=O)OC(=O)c1ccc(cc1)C1CC(=NN1C(C)=O)c1ccc(cc1)[N+]([O-])=O |c:25|
Show InChI InChI=1S/C25H24N6O7/c1-15(14-28-16(2)26-13-24(28)31(36)37)38-25(33)20-6-4-19(5-7-20)23-12-22(27-29(23)17(3)32)18-8-10-21(11-9-18)30(34)35/h4-11,13,15,23H,12,14H2,1-3H3
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n/an/a 3.53E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human HER-2 cytoplasmic domain (676-1245 aa) (unknown origin) assessed as inhibition of autophosphorylation by TR-fluorometr...

Bioorg Med Chem Lett 26: 677-83 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.040
BindingDB Entry DOI: 10.7270/Q2K35WH9
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM50134256
PNG
(CHEMBL3747281)
Show SMILES CC(=O)N1N=C(CC1c1ccc(cc1)C(=O)OCCn1c(C)ncc1[N+]([O-])=O)c1ccc(F)cc1 |c:4|
Show InChI InChI=1S/C24H22FN5O5/c1-15-26-14-23(30(33)34)28(15)11-12-35-24(32)19-5-3-18(4-6-19)22-13-21(27-29(22)16(2)31)17-7-9-20(25)10-8-17/h3-10,14,22H,11-13H2,1-2H3
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n/an/a 4.07E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human HER-2 cytoplasmic domain (676-1245 aa) (unknown origin) assessed as inhibition of autophosphorylation by TR-fluorometr...

Bioorg Med Chem Lett 26: 677-83 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.040
BindingDB Entry DOI: 10.7270/Q2K35WH9
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM50134254
PNG
(CHEMBL3747277)
Show SMILES CC(=O)N1N=C(CC1c1ccc(cc1)C(=O)OCCn1c(C)ncc1[N+]([O-])=O)c1ccc(Cl)cc1 |c:4|
Show InChI InChI=1S/C24H22ClN5O5/c1-15-26-14-23(30(33)34)28(15)11-12-35-24(32)19-5-3-18(4-6-19)22-13-21(27-29(22)16(2)31)17-7-9-20(25)10-8-17/h3-10,14,22H,11-13H2,1-2H3
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n/an/a 4.10E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human HER-2 cytoplasmic domain (676-1245 aa) (unknown origin) assessed as inhibition of autophosphorylation by TR-fluorometr...

Bioorg Med Chem Lett 26: 677-83 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.040
BindingDB Entry DOI: 10.7270/Q2K35WH9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50134264
PNG
(CHEMBL3746212)
Show SMILES CC(=O)N1N=C(CC1c1ccc(cc1)C(=O)OCCn1c(C)ncc1[N+]([O-])=O)c1ccc(Br)cc1 |c:4|
Show InChI InChI=1S/C24H22BrN5O5/c1-15-26-14-23(30(33)34)28(15)11-12-35-24(32)19-5-3-18(4-6-19)22-13-21(27-29(22)16(2)31)17-7-9-20(25)10-8-17/h3-10,14,22H,11-13H2,1-2H3
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n/an/a 4.13E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged EGFR cytoplasmic domain (645-1186 aa) (unknown origin) assessed as inhibition of autophosphorylation by TR-fluorometry

Bioorg Med Chem Lett 26: 677-83 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.040
BindingDB Entry DOI: 10.7270/Q2K35WH9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50134264
PNG
(CHEMBL3746212)
Show SMILES CC(=O)N1N=C(CC1c1ccc(cc1)C(=O)OCCn1c(C)ncc1[N+]([O-])=O)c1ccc(Br)cc1 |c:4|
Show InChI InChI=1S/C24H22BrN5O5/c1-15-26-14-23(30(33)34)28(15)11-12-35-24(32)19-5-3-18(4-6-19)22-13-21(27-29(22)16(2)31)17-7-9-20(25)10-8-17/h3-10,14,22H,11-13H2,1-2H3
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n/an/a 4.13E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged EGFR cytoplasmic domain (645-1186 aa) (unknown origin) assessed as inhibition of autophosphorylation by TR-fluorometry

Bioorg Med Chem Lett 26: 677-83 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.040
BindingDB Entry DOI: 10.7270/Q2K35WH9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50134256
PNG
(CHEMBL3747281)
Show SMILES CC(=O)N1N=C(CC1c1ccc(cc1)C(=O)OCCn1c(C)ncc1[N+]([O-])=O)c1ccc(F)cc1 |c:4|
Show InChI InChI=1S/C24H22FN5O5/c1-15-26-14-23(30(33)34)28(15)11-12-35-24(32)19-5-3-18(4-6-19)22-13-21(27-29(22)16(2)31)17-7-9-20(25)10-8-17/h3-10,14,22H,11-13H2,1-2H3
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n/an/a 5.02E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged EGFR cytoplasmic domain (645-1186 aa) (unknown origin) assessed as inhibition of autophosphorylation by TR-fluorometry

Bioorg Med Chem Lett 26: 677-83 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.040
BindingDB Entry DOI: 10.7270/Q2K35WH9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50134256
PNG
(CHEMBL3747281)
Show SMILES CC(=O)N1N=C(CC1c1ccc(cc1)C(=O)OCCn1c(C)ncc1[N+]([O-])=O)c1ccc(F)cc1 |c:4|
Show InChI InChI=1S/C24H22FN5O5/c1-15-26-14-23(30(33)34)28(15)11-12-35-24(32)19-5-3-18(4-6-19)22-13-21(27-29(22)16(2)31)17-7-9-20(25)10-8-17/h3-10,14,22H,11-13H2,1-2H3
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n/an/a 5.02E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged EGFR cytoplasmic domain (645-1186 aa) (unknown origin) assessed as inhibition of autophosphorylation by TR-fluorometry

Bioorg Med Chem Lett 26: 677-83 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.040
BindingDB Entry DOI: 10.7270/Q2K35WH9
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM50134263
PNG
(CHEMBL3746421)
Show SMILES CC(Cn1c(C)ncc1[N+]([O-])=O)OC(=O)c1ccc(cc1)C1CC(=NN1C(C)=O)c1ccc(cc1)C(F)(F)F |c:25|
Show InChI InChI=1S/C26H24F3N5O5/c1-15(14-32-16(2)30-13-24(32)34(37)38)39-25(36)20-6-4-19(5-7-20)23-12-22(31-33(23)17(3)35)18-8-10-21(11-9-18)26(27,28)29/h4-11,13,15,23H,12,14H2,1-3H3
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n/an/a 5.62E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human HER-2 cytoplasmic domain (676-1245 aa) (unknown origin) assessed as inhibition of autophosphorylation by TR-fluorometr...

Bioorg Med Chem Lett 26: 677-83 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.040
BindingDB Entry DOI: 10.7270/Q2K35WH9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50134267
PNG
(CHEMBL3747776)
Show SMILES CC(Cn1c(C)ncc1[N+]([O-])=O)OC(=O)c1ccc(cc1)C1CC(=NN1C(C)=O)c1ccc(Br)cc1 |c:25|
Show InChI InChI=1S/C25H24BrN5O5/c1-15(14-29-16(2)27-13-24(29)31(34)35)36-25(33)20-6-4-19(5-7-20)23-12-22(28-30(23)17(3)32)18-8-10-21(26)11-9-18/h4-11,13,15,23H,12,14H2,1-3H3
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n/an/a 5.96E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged EGFR cytoplasmic domain (645-1186 aa) (unknown origin) assessed as inhibition of autophosphorylation by TR-fluorometry

Bioorg Med Chem Lett 26: 677-83 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.040
BindingDB Entry DOI: 10.7270/Q2K35WH9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50134267
PNG
(CHEMBL3747776)
Show SMILES CC(Cn1c(C)ncc1[N+]([O-])=O)OC(=O)c1ccc(cc1)C1CC(=NN1C(C)=O)c1ccc(Br)cc1 |c:25|
Show InChI InChI=1S/C25H24BrN5O5/c1-15(14-29-16(2)27-13-24(29)31(34)35)36-25(33)20-6-4-19(5-7-20)23-12-22(28-30(23)17(3)32)18-8-10-21(26)11-9-18/h4-11,13,15,23H,12,14H2,1-3H3
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n/an/a 5.97E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged EGFR cytoplasmic domain (645-1186 aa) (unknown origin) assessed as inhibition of autophosphorylation by TR-fluorometry

Bioorg Med Chem Lett 26: 677-83 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.040
BindingDB Entry DOI: 10.7270/Q2K35WH9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50134257
PNG
(CHEMBL3747152)
Show SMILES CC(Cn1c(C)ncc1[N+]([O-])=O)OC(=O)c1ccc(cc1)C1CC(=NN1C(C)=O)c1ccc(F)cc1 |c:25|
Show InChI InChI=1S/C25H24FN5O5/c1-15(14-29-16(2)27-13-24(29)31(34)35)36-25(33)20-6-4-19(5-7-20)23-12-22(28-30(23)17(3)32)18-8-10-21(26)11-9-18/h4-11,13,15,23H,12,14H2,1-3H3
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n/an/a 6.58E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged EGFR cytoplasmic domain (645-1186 aa) (unknown origin) assessed as inhibition of autophosphorylation by TR-fluorometry

Bioorg Med Chem Lett 26: 677-83 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.040
BindingDB Entry DOI: 10.7270/Q2K35WH9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50134257
PNG
(CHEMBL3747152)
Show SMILES CC(Cn1c(C)ncc1[N+]([O-])=O)OC(=O)c1ccc(cc1)C1CC(=NN1C(C)=O)c1ccc(F)cc1 |c:25|
Show InChI InChI=1S/C25H24FN5O5/c1-15(14-29-16(2)27-13-24(29)31(34)35)36-25(33)20-6-4-19(5-7-20)23-12-22(28-30(23)17(3)32)18-8-10-21(26)11-9-18/h4-11,13,15,23H,12,14H2,1-3H3
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n/an/a 6.59E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged EGFR cytoplasmic domain (645-1186 aa) (unknown origin) assessed as inhibition of autophosphorylation by TR-fluorometry

Bioorg Med Chem Lett 26: 677-83 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.040
BindingDB Entry DOI: 10.7270/Q2K35WH9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50134263
PNG
(CHEMBL3746421)
Show SMILES CC(Cn1c(C)ncc1[N+]([O-])=O)OC(=O)c1ccc(cc1)C1CC(=NN1C(C)=O)c1ccc(cc1)C(F)(F)F |c:25|
Show InChI InChI=1S/C26H24F3N5O5/c1-15(14-32-16(2)30-13-24(32)34(37)38)39-25(36)20-6-4-19(5-7-20)23-12-22(31-33(23)17(3)35)18-8-10-21(11-9-18)26(27,28)29/h4-11,13,15,23H,12,14H2,1-3H3
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n/an/a 6.67E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged EGFR cytoplasmic domain (645-1186 aa) (unknown origin) assessed as inhibition of autophosphorylation by TR-fluorometry

Bioorg Med Chem Lett 26: 677-83 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.040
BindingDB Entry DOI: 10.7270/Q2K35WH9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50134263
PNG
(CHEMBL3746421)
Show SMILES CC(Cn1c(C)ncc1[N+]([O-])=O)OC(=O)c1ccc(cc1)C1CC(=NN1C(C)=O)c1ccc(cc1)C(F)(F)F |c:25|
Show InChI InChI=1S/C26H24F3N5O5/c1-15(14-32-16(2)30-13-24(32)34(37)38)39-25(36)20-6-4-19(5-7-20)23-12-22(31-33(23)17(3)35)18-8-10-21(11-9-18)26(27,28)29/h4-11,13,15,23H,12,14H2,1-3H3
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n/an/a 6.68E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged EGFR cytoplasmic domain (645-1186 aa) (unknown origin) assessed as inhibition of autophosphorylation by TR-fluorometry

Bioorg Med Chem Lett 26: 677-83 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.040
BindingDB Entry DOI: 10.7270/Q2K35WH9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50134254
PNG
(CHEMBL3747277)
Show SMILES CC(=O)N1N=C(CC1c1ccc(cc1)C(=O)OCCn1c(C)ncc1[N+]([O-])=O)c1ccc(Cl)cc1 |c:4|
Show InChI InChI=1S/C24H22ClN5O5/c1-15-26-14-23(30(33)34)28(15)11-12-35-24(32)19-5-3-18(4-6-19)22-13-21(27-29(22)16(2)31)17-7-9-20(25)10-8-17/h3-10,14,22H,11-13H2,1-2H3
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n/an/a 7.37E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged EGFR cytoplasmic domain (645-1186 aa) (unknown origin) assessed as inhibition of autophosphorylation by TR-fluorometry

Bioorg Med Chem Lett 26: 677-83 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.040
BindingDB Entry DOI: 10.7270/Q2K35WH9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50134254
PNG
(CHEMBL3747277)
Show SMILES CC(=O)N1N=C(CC1c1ccc(cc1)C(=O)OCCn1c(C)ncc1[N+]([O-])=O)c1ccc(Cl)cc1 |c:4|
Show InChI InChI=1S/C24H22ClN5O5/c1-15-26-14-23(30(33)34)28(15)11-12-35-24(32)19-5-3-18(4-6-19)22-13-21(27-29(22)16(2)31)17-7-9-20(25)10-8-17/h3-10,14,22H,11-13H2,1-2H3
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n/an/a 7.38E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged EGFR cytoplasmic domain (645-1186 aa) (unknown origin) assessed as inhibition of autophosphorylation by TR-fluorometry

Bioorg Med Chem Lett 26: 677-83 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.040
BindingDB Entry DOI: 10.7270/Q2K35WH9
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM50134267
PNG
(CHEMBL3747776)
Show SMILES CC(Cn1c(C)ncc1[N+]([O-])=O)OC(=O)c1ccc(cc1)C1CC(=NN1C(C)=O)c1ccc(Br)cc1 |c:25|
Show InChI InChI=1S/C25H24BrN5O5/c1-15(14-29-16(2)27-13-24(29)31(34)35)36-25(33)20-6-4-19(5-7-20)23-12-22(28-30(23)17(3)32)18-8-10-21(26)11-9-18/h4-11,13,15,23H,12,14H2,1-3H3
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n/an/a 8.27E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human HER-2 cytoplasmic domain (676-1245 aa) (unknown origin) assessed as inhibition of autophosphorylation by TR-fluorometr...

Bioorg Med Chem Lett 26: 677-83 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.040
BindingDB Entry DOI: 10.7270/Q2K35WH9
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM50134257
PNG
(CHEMBL3747152)
Show SMILES CC(Cn1c(C)ncc1[N+]([O-])=O)OC(=O)c1ccc(cc1)C1CC(=NN1C(C)=O)c1ccc(F)cc1 |c:25|
Show InChI InChI=1S/C25H24FN5O5/c1-15(14-29-16(2)27-13-24(29)31(34)35)36-25(33)20-6-4-19(5-7-20)23-12-22(28-30(23)17(3)32)18-8-10-21(26)11-9-18/h4-11,13,15,23H,12,14H2,1-3H3
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n/an/a 8.54E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human HER-2 cytoplasmic domain (676-1245 aa) (unknown origin) assessed as inhibition of autophosphorylation by TR-fluorometr...

Bioorg Med Chem Lett 26: 677-83 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.040
BindingDB Entry DOI: 10.7270/Q2K35WH9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50134266
PNG
(CHEMBL3747055)
Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1ccc(cc1)C(=O)OCCn1c(C)ncc1[N+]([O-])=O)C(C)=O |t:9|
Show InChI InChI=1S/C25H25N5O6/c1-16-26-15-24(30(33)34)28(16)12-13-36-25(32)20-6-4-19(5-7-20)23-14-22(27-29(23)17(2)31)18-8-10-21(35-3)11-9-18/h4-11,15,23H,12-14H2,1-3H3
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n/an/a 8.54E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged EGFR cytoplasmic domain (645-1186 aa) (unknown origin) assessed as inhibition of autophosphorylation by TR-fluorometry

Bioorg Med Chem Lett 26: 677-83 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.040
BindingDB Entry DOI: 10.7270/Q2K35WH9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50134266
PNG
(CHEMBL3747055)
Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1ccc(cc1)C(=O)OCCn1c(C)ncc1[N+]([O-])=O)C(C)=O |t:9|
Show InChI InChI=1S/C25H25N5O6/c1-16-26-15-24(30(33)34)28(16)12-13-36-25(32)20-6-4-19(5-7-20)23-14-22(27-29(23)17(2)31)18-8-10-21(35-3)11-9-18/h4-11,15,23H,12-14H2,1-3H3
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n/an/a 8.55E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged EGFR cytoplasmic domain (645-1186 aa) (unknown origin) assessed as inhibition of autophosphorylation by TR-fluorometry

Bioorg Med Chem Lett 26: 677-83 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.040
BindingDB Entry DOI: 10.7270/Q2K35WH9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50134255
PNG
(CHEMBL3746168)
Show SMILES CC(Cn1c(C)ncc1[N+]([O-])=O)OC(=O)c1ccc(cc1)C1CC(=NN1C(C)=O)c1ccc(Cl)cc1 |c:25|
Show InChI InChI=1S/C25H24ClN5O5/c1-15(14-29-16(2)27-13-24(29)31(34)35)36-25(33)20-6-4-19(5-7-20)23-12-22(28-30(23)17(3)32)18-8-10-21(26)11-9-18/h4-11,13,15,23H,12,14H2,1-3H3
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n/an/a 9.26E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged EGFR cytoplasmic domain (645-1186 aa) (unknown origin) assessed as inhibition of autophosphorylation by TR-fluorometry

Bioorg Med Chem Lett 26: 677-83 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.040
BindingDB Entry DOI: 10.7270/Q2K35WH9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50134255
PNG
(CHEMBL3746168)
Show SMILES CC(Cn1c(C)ncc1[N+]([O-])=O)OC(=O)c1ccc(cc1)C1CC(=NN1C(C)=O)c1ccc(Cl)cc1 |c:25|
Show InChI InChI=1S/C25H24ClN5O5/c1-15(14-29-16(2)27-13-24(29)31(34)35)36-25(33)20-6-4-19(5-7-20)23-12-22(28-30(23)17(3)32)18-8-10-21(26)11-9-18/h4-11,13,15,23H,12,14H2,1-3H3
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n/an/a 9.27E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged EGFR cytoplasmic domain (645-1186 aa) (unknown origin) assessed as inhibition of autophosphorylation by TR-fluorometry

Bioorg Med Chem Lett 26: 677-83 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.040
BindingDB Entry DOI: 10.7270/Q2K35WH9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50134265
PNG
(CHEMBL3747079)
Show SMILES CC(=O)N1N=C(CC1c1ccc(cc1)C(=O)OCCn1c(C)ncc1[N+]([O-])=O)c1ccccc1 |c:4|
Show InChI InChI=1S/C24H23N5O5/c1-16-25-15-23(29(32)33)27(16)12-13-34-24(31)20-10-8-19(9-11-20)22-14-21(26-28(22)17(2)30)18-6-4-3-5-7-18/h3-11,15,22H,12-14H2,1-2H3
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n/an/a 9.58E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged EGFR cytoplasmic domain (645-1186 aa) (unknown origin) assessed as inhibition of autophosphorylation by TR-fluorometry

Bioorg Med Chem Lett 26: 677-83 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.040
BindingDB Entry DOI: 10.7270/Q2K35WH9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50134265
PNG
(CHEMBL3747079)
Show SMILES CC(=O)N1N=C(CC1c1ccc(cc1)C(=O)OCCn1c(C)ncc1[N+]([O-])=O)c1ccccc1 |c:4|
Show InChI InChI=1S/C24H23N5O5/c1-16-25-15-23(29(32)33)27(16)12-13-34-24(31)20-10-8-19(9-11-20)22-14-21(26-28(22)17(2)30)18-6-4-3-5-7-18/h3-11,15,22H,12-14H2,1-2H3
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n/an/a 9.59E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged EGFR cytoplasmic domain (645-1186 aa) (unknown origin) assessed as inhibition of autophosphorylation by TR-fluorometry

Bioorg Med Chem Lett 26: 677-83 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.040
BindingDB Entry DOI: 10.7270/Q2K35WH9
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM50134255
PNG
(CHEMBL3746168)
Show SMILES CC(Cn1c(C)ncc1[N+]([O-])=O)OC(=O)c1ccc(cc1)C1CC(=NN1C(C)=O)c1ccc(Cl)cc1 |c:25|
Show InChI InChI=1S/C25H24ClN5O5/c1-15(14-29-16(2)27-13-24(29)31(34)35)36-25(33)20-6-4-19(5-7-20)23-12-22(28-30(23)17(3)32)18-8-10-21(26)11-9-18/h4-11,13,15,23H,12,14H2,1-3H3
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n/an/a 9.96E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human HER-2 cytoplasmic domain (676-1245 aa) (unknown origin) assessed as inhibition of autophosphorylation by TR-fluorometr...

Bioorg Med Chem Lett 26: 677-83 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.040
BindingDB Entry DOI: 10.7270/Q2K35WH9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50134259
PNG
(CHEMBL3746564)
Show SMILES CC(Cn1c(C)ncc1[N+]([O-])=O)OC(=O)c1ccc(cc1)C1CC(=NN1C(C)=O)c1ccc(I)cc1 |c:25|
Show InChI InChI=1S/C25H24IN5O5/c1-15(14-29-16(2)27-13-24(29)31(34)35)36-25(33)20-6-4-19(5-7-20)23-12-22(28-30(23)17(3)32)18-8-10-21(26)11-9-18/h4-11,13,15,23H,12,14H2,1-3H3
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n/an/a 1.07E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged EGFR cytoplasmic domain (645-1186 aa) (unknown origin) assessed as inhibition of autophosphorylation by TR-fluorometry

Bioorg Med Chem Lett 26: 677-83 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.040
BindingDB Entry DOI: 10.7270/Q2K35WH9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50134259
PNG
(CHEMBL3746564)
Show SMILES CC(Cn1c(C)ncc1[N+]([O-])=O)OC(=O)c1ccc(cc1)C1CC(=NN1C(C)=O)c1ccc(I)cc1 |c:25|
Show InChI InChI=1S/C25H24IN5O5/c1-15(14-29-16(2)27-13-24(29)31(34)35)36-25(33)20-6-4-19(5-7-20)23-12-22(28-30(23)17(3)32)18-8-10-21(26)11-9-18/h4-11,13,15,23H,12,14H2,1-3H3
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n/an/a 1.07E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged EGFR cytoplasmic domain (645-1186 aa) (unknown origin) assessed as inhibition of autophosphorylation by TR-fluorometry

Bioorg Med Chem Lett 26: 677-83 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.040
BindingDB Entry DOI: 10.7270/Q2K35WH9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50134260
PNG
(CHEMBL3746268)
Show SMILES CC(=O)N1N=C(CC1c1ccc(cc1)C(=O)OCCn1c(C)ncc1[N+]([O-])=O)c1ccc(C)cc1 |c:4|
Show InChI InChI=1S/C25H25N5O5/c1-16-4-6-19(7-5-16)22-14-23(29(27-22)18(3)31)20-8-10-21(11-9-20)25(32)35-13-12-28-17(2)26-15-24(28)30(33)34/h4-11,15,23H,12-14H2,1-3H3
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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 His-tagged EGFR cytoplasmic domain (645-1186 aa) (unknown origin) assessed as inhibition of autophosphorylation by TR-fluorometry

Bioorg Med Chem Lett 26: 677-83 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.040
BindingDB Entry DOI: 10.7270/Q2K35WH9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50134260
PNG
(CHEMBL3746268)
Show SMILES CC(=O)N1N=C(CC1c1ccc(cc1)C(=O)OCCn1c(C)ncc1[N+]([O-])=O)c1ccc(C)cc1 |c:4|
Show InChI InChI=1S/C25H25N5O5/c1-16-4-6-19(7-5-16)22-14-23(29(27-22)18(3)31)20-8-10-21(11-9-20)25(32)35-13-12-28-17(2)26-15-24(28)30(33)34/h4-11,15,23H,12-14H2,1-3H3
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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 His-tagged EGFR cytoplasmic domain (645-1186 aa) (unknown origin) assessed as inhibition of autophosphorylation by TR-fluorometry

Bioorg Med Chem Lett 26: 677-83 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.040
BindingDB Entry DOI: 10.7270/Q2K35WH9
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM50134226
PNG
(CHEMBL3746387)
Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1ccc(cc1)C(=O)OC(C)Cn1c(C)ncc1[N+]([O-])=O)C(C)=O |t:9|
Show InChI InChI=1S/C26H27N5O6/c1-16(15-29-17(2)27-14-25(29)31(34)35)37-26(33)21-7-5-20(6-8-21)24-13-23(28-30(24)18(3)32)19-9-11-22(36-4)12-10-19/h5-12,14,16,24H,13,15H2,1-4H3
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n/an/a 1.21E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human HER-2 cytoplasmic domain (676-1245 aa) (unknown origin) assessed as inhibition of autophosphorylation by TR-fluorometr...

Bioorg Med Chem Lett 26: 677-83 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.040
BindingDB Entry DOI: 10.7270/Q2K35WH9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50134268
PNG
(CHEMBL3747570)
Show SMILES CC(Cn1c(C)ncc1[N+]([O-])=O)OC(=O)c1ccc(cc1)C1CC(=NN1C(C)=O)c1ccccc1 |c:25|
Show InChI InChI=1S/C25H25N5O5/c1-16(15-28-17(2)26-14-24(28)30(33)34)35-25(32)21-11-9-20(10-12-21)23-13-22(27-29(23)18(3)31)19-7-5-4-6-8-19/h4-12,14,16,23H,13,15H2,1-3H3
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n/an/a 1.22E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged EGFR cytoplasmic domain (645-1186 aa) (unknown origin) assessed as inhibition of autophosphorylation by TR-fluorometry

Bioorg Med Chem Lett 26: 677-83 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.040
BindingDB Entry DOI: 10.7270/Q2K35WH9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50134268
PNG
(CHEMBL3747570)
Show SMILES CC(Cn1c(C)ncc1[N+]([O-])=O)OC(=O)c1ccc(cc1)C1CC(=NN1C(C)=O)c1ccccc1 |c:25|
Show InChI InChI=1S/C25H25N5O5/c1-16(15-28-17(2)26-14-24(28)30(33)34)35-25(32)21-11-9-20(10-12-21)23-13-22(27-29(23)18(3)31)19-7-5-4-6-8-19/h4-12,14,16,23H,13,15H2,1-3H3
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n/an/a 1.22E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged EGFR cytoplasmic domain (645-1186 aa) (unknown origin) assessed as inhibition of autophosphorylation by TR-fluorometry

Bioorg Med Chem Lett 26: 677-83 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.040
BindingDB Entry DOI: 10.7270/Q2K35WH9
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM50134259
PNG
(CHEMBL3746564)
Show SMILES CC(Cn1c(C)ncc1[N+]([O-])=O)OC(=O)c1ccc(cc1)C1CC(=NN1C(C)=O)c1ccc(I)cc1 |c:25|
Show InChI InChI=1S/C25H24IN5O5/c1-15(14-29-16(2)27-13-24(29)31(34)35)36-25(33)20-6-4-19(5-7-20)23-12-22(28-30(23)17(3)32)18-8-10-21(26)11-9-18/h4-11,13,15,23H,12,14H2,1-3H3
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n/an/a 1.27E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human HER-2 cytoplasmic domain (676-1245 aa) (unknown origin) assessed as inhibition of autophosphorylation by TR-fluorometr...

Bioorg Med Chem Lett 26: 677-83 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.040
BindingDB Entry DOI: 10.7270/Q2K35WH9
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM50134260
PNG
(CHEMBL3746268)
Show SMILES CC(=O)N1N=C(CC1c1ccc(cc1)C(=O)OCCn1c(C)ncc1[N+]([O-])=O)c1ccc(C)cc1 |c:4|
Show InChI InChI=1S/C25H25N5O5/c1-16-4-6-19(7-5-16)22-14-23(29(27-22)18(3)31)20-8-10-21(11-9-20)25(32)35-13-12-28-17(2)26-15-24(28)30(33)34/h4-11,15,23H,12-14H2,1-3H3
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n/an/a 1.32E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human HER-2 cytoplasmic domain (676-1245 aa) (unknown origin) assessed as inhibition of autophosphorylation by TR-fluorometr...

Bioorg Med Chem Lett 26: 677-83 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.040
BindingDB Entry DOI: 10.7270/Q2K35WH9
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM50134265
PNG
(CHEMBL3747079)
Show SMILES CC(=O)N1N=C(CC1c1ccc(cc1)C(=O)OCCn1c(C)ncc1[N+]([O-])=O)c1ccccc1 |c:4|
Show InChI InChI=1S/C24H23N5O5/c1-16-25-15-23(29(32)33)27(16)12-13-34-24(31)20-10-8-19(9-11-20)22-14-21(26-28(22)17(2)30)18-6-4-3-5-7-18/h3-11,15,22H,12-14H2,1-2H3
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n/an/a 1.40E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human HER-2 cytoplasmic domain (676-1245 aa) (unknown origin) assessed as inhibition of autophosphorylation by TR-fluorometr...

Bioorg Med Chem Lett 26: 677-83 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.040
BindingDB Entry DOI: 10.7270/Q2K35WH9
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM50134252
PNG
(CHEMBL3747407)
Show SMILES CCOc1ccc(cc1)C1=NN(C(C1)c1ccc(cc1)C(=O)OCCn1c(C)ncc1[N+]([O-])=O)C(C)=O |t:10|
Show InChI InChI=1S/C26H27N5O6/c1-4-36-22-11-9-19(10-12-22)23-15-24(30(28-23)18(3)32)20-5-7-21(8-6-20)26(33)37-14-13-29-17(2)27-16-25(29)31(34)35/h5-12,16,24H,4,13-15H2,1-3H3
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n/an/a 1.49E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human HER-2 cytoplasmic domain (676-1245 aa) (unknown origin) assessed as inhibition of autophosphorylation by TR-fluorometr...

Bioorg Med Chem Lett 26: 677-83 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.040
BindingDB Entry DOI: 10.7270/Q2K35WH9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50134252
PNG
(CHEMBL3747407)
Show SMILES CCOc1ccc(cc1)C1=NN(C(C1)c1ccc(cc1)C(=O)OCCn1c(C)ncc1[N+]([O-])=O)C(C)=O |t:10|
Show InChI InChI=1S/C26H27N5O6/c1-4-36-22-11-9-19(10-12-22)23-15-24(30(28-23)18(3)32)20-5-7-21(8-6-20)26(33)37-14-13-29-17(2)27-16-25(29)31(34)35/h5-12,16,24H,4,13-15H2,1-3H3
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n/an/a 1.52E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged EGFR cytoplasmic domain (645-1186 aa) (unknown origin) assessed as inhibition of autophosphorylation by TR-fluorometry

Bioorg Med Chem Lett 26: 677-83 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.040
BindingDB Entry DOI: 10.7270/Q2K35WH9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50134252
PNG
(CHEMBL3747407)
Show SMILES CCOc1ccc(cc1)C1=NN(C(C1)c1ccc(cc1)C(=O)OCCn1c(C)ncc1[N+]([O-])=O)C(C)=O |t:10|
Show InChI InChI=1S/C26H27N5O6/c1-4-36-22-11-9-19(10-12-22)23-15-24(30(28-23)18(3)32)20-5-7-21(8-6-20)26(33)37-14-13-29-17(2)27-16-25(29)31(34)35/h5-12,16,24H,4,13-15H2,1-3H3
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n/an/a 1.52E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged EGFR cytoplasmic domain (645-1186 aa) (unknown origin) assessed as inhibition of autophosphorylation by TR-fluorometry

Bioorg Med Chem Lett 26: 677-83 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.040
BindingDB Entry DOI: 10.7270/Q2K35WH9
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM50134268
PNG
(CHEMBL3747570)
Show SMILES CC(Cn1c(C)ncc1[N+]([O-])=O)OC(=O)c1ccc(cc1)C1CC(=NN1C(C)=O)c1ccccc1 |c:25|
Show InChI InChI=1S/C25H25N5O5/c1-16(15-28-17(2)26-14-24(28)30(33)34)35-25(32)21-11-9-20(10-12-21)23-13-22(27-29(23)18(3)31)19-7-5-4-6-8-19/h4-12,14,16,23H,13,15H2,1-3H3
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n/an/a 1.70E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human HER-2 cytoplasmic domain (676-1245 aa) (unknown origin) assessed as inhibition of autophosphorylation by TR-fluorometr...

Bioorg Med Chem Lett 26: 677-83 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.040
BindingDB Entry DOI: 10.7270/Q2K35WH9
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM50134266
PNG
(CHEMBL3747055)
Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1ccc(cc1)C(=O)OCCn1c(C)ncc1[N+]([O-])=O)C(C)=O |t:9|
Show InChI InChI=1S/C25H25N5O6/c1-16-26-15-24(30(33)34)28(16)12-13-36-25(32)20-6-4-19(5-7-20)23-14-22(27-29(23)17(2)31)18-8-10-21(35-3)11-9-18/h4-11,15,23H,12-14H2,1-3H3
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n/an/a 1.73E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human HER-2 cytoplasmic domain (676-1245 aa) (unknown origin) assessed as inhibition of autophosphorylation by TR-fluorometr...

Bioorg Med Chem Lett 26: 677-83 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.040
BindingDB Entry DOI: 10.7270/Q2K35WH9
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM50134253
PNG
(CHEMBL3745929)
Show SMILES CCOc1ccc(cc1)C1=NN(C(C1)c1ccc(cc1)C(=O)OC(C)Cn1c(C)ncc1[N+]([O-])=O)C(C)=O |t:10|
Show InChI InChI=1S/C27H29N5O6/c1-5-37-23-12-10-20(11-13-23)24-14-25(31(29-24)19(4)33)21-6-8-22(9-7-21)27(34)38-17(2)16-30-18(3)28-15-26(30)32(35)36/h6-13,15,17,25H,5,14,16H2,1-4H3
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n/an/a 1.81E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human HER-2 cytoplasmic domain (676-1245 aa) (unknown origin) assessed as inhibition of autophosphorylation by TR-fluorometr...

Bioorg Med Chem Lett 26: 677-83 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.040
BindingDB Entry DOI: 10.7270/Q2K35WH9
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM50134261
PNG
(CHEMBL3746980)
Show SMILES CC(Cn1c(C)ncc1[N+]([O-])=O)OC(=O)c1ccc(cc1)C1CC(=NN1C(C)=O)c1ccc(C)cc1 |c:25|
Show InChI InChI=1S/C26H27N5O5/c1-16-5-7-20(8-6-16)23-13-24(30(28-23)19(4)32)21-9-11-22(12-10-21)26(33)36-17(2)15-29-18(3)27-14-25(29)31(34)35/h5-12,14,17,24H,13,15H2,1-4H3
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n/an/a 1.89E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human HER-2 cytoplasmic domain (676-1245 aa) (unknown origin) assessed as inhibition of autophosphorylation by TR-fluorometr...

Bioorg Med Chem Lett 26: 677-83 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.040
BindingDB Entry DOI: 10.7270/Q2K35WH9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50134226
PNG
(CHEMBL3746387)
Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1ccc(cc1)C(=O)OC(C)Cn1c(C)ncc1[N+]([O-])=O)C(C)=O |t:9|
Show InChI InChI=1S/C26H27N5O6/c1-16(15-29-17(2)27-14-25(29)31(34)35)37-26(33)21-7-5-20(6-8-21)24-13-23(28-30(24)18(3)32)19-9-11-22(36-4)12-10-19/h5-12,14,16,24H,13,15H2,1-4H3
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n/an/a 2.13E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged EGFR cytoplasmic domain (645-1186 aa) (unknown origin) assessed as inhibition of autophosphorylation by TR-fluorometry

Bioorg Med Chem Lett 26: 677-83 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.040
BindingDB Entry DOI: 10.7270/Q2K35WH9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50134226
PNG
(CHEMBL3746387)
Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1ccc(cc1)C(=O)OC(C)Cn1c(C)ncc1[N+]([O-])=O)C(C)=O |t:9|
Show InChI InChI=1S/C26H27N5O6/c1-16(15-29-17(2)27-14-25(29)31(34)35)37-26(33)21-7-5-20(6-8-21)24-13-23(28-30(24)18(3)32)19-9-11-22(36-4)12-10-19/h5-12,14,16,24H,13,15H2,1-4H3
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n/an/a 2.13E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged EGFR cytoplasmic domain (645-1186 aa) (unknown origin) assessed as inhibition of autophosphorylation by TR-fluorometry

Bioorg Med Chem Lett 26: 677-83 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.040
BindingDB Entry DOI: 10.7270/Q2K35WH9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50134261
PNG
(CHEMBL3746980)
Show SMILES CC(Cn1c(C)ncc1[N+]([O-])=O)OC(=O)c1ccc(cc1)C1CC(=NN1C(C)=O)c1ccc(C)cc1 |c:25|
Show InChI InChI=1S/C26H27N5O5/c1-16-5-7-20(8-6-16)23-13-24(30(28-23)19(4)32)21-9-11-22(12-10-21)26(33)36-17(2)15-29-18(3)27-14-25(29)31(34)35/h5-12,14,17,24H,13,15H2,1-4H3
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n/an/a 2.56E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged EGFR cytoplasmic domain (645-1186 aa) (unknown origin) assessed as inhibition of autophosphorylation by TR-fluorometry

Bioorg Med Chem Lett 26: 677-83 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.040
BindingDB Entry DOI: 10.7270/Q2K35WH9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50134261
PNG
(CHEMBL3746980)
Show SMILES CC(Cn1c(C)ncc1[N+]([O-])=O)OC(=O)c1ccc(cc1)C1CC(=NN1C(C)=O)c1ccc(C)cc1 |c:25|
Show InChI InChI=1S/C26H27N5O5/c1-16-5-7-20(8-6-16)23-13-24(30(28-23)19(4)32)21-9-11-22(12-10-21)26(33)36-17(2)15-29-18(3)27-14-25(29)31(34)35/h5-12,14,17,24H,13,15H2,1-4H3
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n/an/a 2.56E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged EGFR cytoplasmic domain (645-1186 aa) (unknown origin) assessed as inhibition of autophosphorylation by TR-fluorometry

Bioorg Med Chem Lett 26: 677-83 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.040
BindingDB Entry DOI: 10.7270/Q2K35WH9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50134253
PNG
(CHEMBL3745929)
Show SMILES CCOc1ccc(cc1)C1=NN(C(C1)c1ccc(cc1)C(=O)OC(C)Cn1c(C)ncc1[N+]([O-])=O)C(C)=O |t:10|
Show InChI InChI=1S/C27H29N5O6/c1-5-37-23-12-10-20(11-13-23)24-14-25(31(29-24)19(4)33)21-6-8-22(9-7-21)27(34)38-17(2)16-30-18(3)28-15-26(30)32(35)36/h6-13,15,17,25H,5,14,16H2,1-4H3
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n/an/a 2.69E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged EGFR cytoplasmic domain (645-1186 aa) (unknown origin) assessed as inhibition of autophosphorylation by TR-fluorometry

Bioorg Med Chem Lett 26: 677-83 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.040
BindingDB Entry DOI: 10.7270/Q2K35WH9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50134253
PNG
(CHEMBL3745929)
Show SMILES CCOc1ccc(cc1)C1=NN(C(C1)c1ccc(cc1)C(=O)OC(C)Cn1c(C)ncc1[N+]([O-])=O)C(C)=O |t:10|
Show InChI InChI=1S/C27H29N5O6/c1-5-37-23-12-10-20(11-13-23)24-14-25(31(29-24)19(4)33)21-6-8-22(9-7-21)27(34)38-17(2)16-30-18(3)28-15-26(30)32(35)36/h6-13,15,17,25H,5,14,16H2,1-4H3
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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 His-tagged EGFR cytoplasmic domain (645-1186 aa) (unknown origin) assessed as inhibition of autophosphorylation by TR-fluorometry

Bioorg Med Chem Lett 26: 677-83 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.040
BindingDB Entry DOI: 10.7270/Q2K35WH9
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%