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PubMed code 21920766

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 32n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant (His)6-tagged EGFR autophosphorylation pre-incubated for 10 mins by DELFIA/Time-resolved fluorometry


Bioorg Med Chem 19: 6069-76 (2011)


Article DOI: 10.1016/j.bmc.2011.08.038
BindingDB Entry DOI: 10.7270/Q2DF6RM8
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 (His)6-tagged HER-2 autophosphorylation pre-incubated for 10 mins by DELFIA/Time-resolved fluorometry


Bioorg Med Chem 19: 6069-76 (2011)


Article DOI: 10.1016/j.bmc.2011.08.038
BindingDB Entry DOI: 10.7270/Q2DF6RM8
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50353989
PNG
(CHEMBL1828862)
Show SMILES Cc1ncc(n1CC(=O)NS(=O)(=O)c1ccc(F)cc1)[N+]([O-])=O
Show InChI InChI=1S/C12H11FN4O5S/c1-8-14-6-12(17(19)20)16(8)7-11(18)15-23(21,22)10-4-2-9(13)3-5-10/h2-6H,7H2,1H3,(H,15,18)
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n/an/a 390n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant (His)6-tagged EGFR autophosphorylation pre-incubated for 10 mins by DELFIA/Time-resolved fluorometry


Bioorg Med Chem 19: 6069-76 (2011)


Article DOI: 10.1016/j.bmc.2011.08.038
BindingDB Entry DOI: 10.7270/Q2DF6RM8
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 EGFR


Bioorg Med Chem 19: 6069-76 (2011)


Article DOI: 10.1016/j.bmc.2011.08.038
BindingDB Entry DOI: 10.7270/Q2DF6RM8
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50353964
PNG
(CHEMBL1828863)
Show SMILES Cc1ncc(n1CC(=O)NS(=O)(=O)c1ccc(Cl)cc1)[N+]([O-])=O
Show InChI InChI=1S/C12H11ClN4O5S/c1-8-14-6-12(17(19)20)16(8)7-11(18)15-23(21,22)10-4-2-9(13)3-5-10/h2-6H,7H2,1H3,(H,15,18)
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n/an/a 1.51E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant (His)6-tagged EGFR autophosphorylation pre-incubated for 10 mins by DELFIA/Time-resolved fluorometry


Bioorg Med Chem 19: 6069-76 (2011)


Article DOI: 10.1016/j.bmc.2011.08.038
BindingDB Entry DOI: 10.7270/Q2DF6RM8
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50353989
PNG
(CHEMBL1828862)
Show SMILES Cc1ncc(n1CC(=O)NS(=O)(=O)c1ccc(F)cc1)[N+]([O-])=O
Show InChI InChI=1S/C12H11FN4O5S/c1-8-14-6-12(17(19)20)16(8)7-11(18)15-23(21,22)10-4-2-9(13)3-5-10/h2-6H,7H2,1H3,(H,15,18)
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n/an/a 1.53E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant (His)6-tagged HER-2 autophosphorylation pre-incubated for 10 mins by DELFIA/Time-resolved fluorometry


Bioorg Med Chem 19: 6069-76 (2011)


Article DOI: 10.1016/j.bmc.2011.08.038
BindingDB Entry DOI: 10.7270/Q2DF6RM8
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 HER-2


Bioorg Med Chem 19: 6069-76 (2011)


Article DOI: 10.1016/j.bmc.2011.08.038
BindingDB Entry DOI: 10.7270/Q2DF6RM8
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50353965
PNG
(CHEMBL1828864)
Show SMILES Cc1ncc(n1CC(=O)NS(=O)(=O)c1ccc(Br)cc1)[N+]([O-])=O
Show InChI InChI=1S/C12H11BrN4O5S/c1-8-14-6-12(17(19)20)16(8)7-11(18)15-23(21,22)10-4-2-9(13)3-5-10/h2-6H,7H2,1H3,(H,15,18)
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n/an/a 2.17E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant (His)6-tagged EGFR autophosphorylation pre-incubated for 10 mins by DELFIA/Time-resolved fluorometry


Bioorg Med Chem 19: 6069-76 (2011)


Article DOI: 10.1016/j.bmc.2011.08.038
BindingDB Entry DOI: 10.7270/Q2DF6RM8
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50353962
PNG
(CHEMBL1828860)
Show SMILES Cc1ncc(n1CC(=O)NS(=O)(=O)c1ccccc1)[N+]([O-])=O
Show InChI InChI=1S/C12H12N4O5S/c1-9-13-7-12(16(18)19)15(9)8-11(17)14-22(20,21)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,14,17)
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n/an/a 2.94E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant (His)6-tagged EGFR autophosphorylation pre-incubated for 10 mins by DELFIA/Time-resolved fluorometry


Bioorg Med Chem 19: 6069-76 (2011)


Article DOI: 10.1016/j.bmc.2011.08.038
BindingDB Entry DOI: 10.7270/Q2DF6RM8
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50353964
PNG
(CHEMBL1828863)
Show SMILES Cc1ncc(n1CC(=O)NS(=O)(=O)c1ccc(Cl)cc1)[N+]([O-])=O
Show InChI InChI=1S/C12H11ClN4O5S/c1-8-14-6-12(17(19)20)16(8)7-11(18)15-23(21,22)10-4-2-9(13)3-5-10/h2-6H,7H2,1H3,(H,15,18)
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n/an/a 3.41E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant (His)6-tagged HER-2 autophosphorylation pre-incubated for 10 mins by DELFIA/Time-resolved fluorometry


Bioorg Med Chem 19: 6069-76 (2011)


Article DOI: 10.1016/j.bmc.2011.08.038
BindingDB Entry DOI: 10.7270/Q2DF6RM8
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50353963
PNG
(CHEMBL1828861)
Show SMILES Cc1ncc(n1CC(=O)NS(=O)(=O)c1ccc(C)cc1)[N+]([O-])=O
Show InChI InChI=1S/C13H14N4O5S/c1-9-3-5-11(6-4-9)23(21,22)15-12(18)8-16-10(2)14-7-13(16)17(19)20/h3-7H,8H2,1-2H3,(H,15,18)
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n/an/a 3.43E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant (His)6-tagged EGFR autophosphorylation pre-incubated for 10 mins by DELFIA/Time-resolved fluorometry


Bioorg Med Chem 19: 6069-76 (2011)


Article DOI: 10.1016/j.bmc.2011.08.038
BindingDB Entry DOI: 10.7270/Q2DF6RM8
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50353965
PNG
(CHEMBL1828864)
Show SMILES Cc1ncc(n1CC(=O)NS(=O)(=O)c1ccc(Br)cc1)[N+]([O-])=O
Show InChI InChI=1S/C12H11BrN4O5S/c1-8-14-6-12(17(19)20)16(8)7-11(18)15-23(21,22)10-4-2-9(13)3-5-10/h2-6H,7H2,1H3,(H,15,18)
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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 recombinant (His)6-tagged HER-2 autophosphorylation pre-incubated for 10 mins by DELFIA/Time-resolved fluorometry


Bioorg Med Chem 19: 6069-76 (2011)


Article DOI: 10.1016/j.bmc.2011.08.038
BindingDB Entry DOI: 10.7270/Q2DF6RM8
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50353962
PNG
(CHEMBL1828860)
Show SMILES Cc1ncc(n1CC(=O)NS(=O)(=O)c1ccccc1)[N+]([O-])=O
Show InChI InChI=1S/C12H12N4O5S/c1-9-13-7-12(16(18)19)15(9)8-11(17)14-22(20,21)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,14,17)
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n/an/a 4.21E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant (His)6-tagged HER-2 autophosphorylation pre-incubated for 10 mins by DELFIA/Time-resolved fluorometry


Bioorg Med Chem 19: 6069-76 (2011)


Article DOI: 10.1016/j.bmc.2011.08.038
BindingDB Entry DOI: 10.7270/Q2DF6RM8
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50353963
PNG
(CHEMBL1828861)
Show SMILES Cc1ncc(n1CC(=O)NS(=O)(=O)c1ccc(C)cc1)[N+]([O-])=O
Show InChI InChI=1S/C13H14N4O5S/c1-9-3-5-11(6-4-9)23(21,22)15-12(18)8-16-10(2)14-7-13(16)17(19)20/h3-7H,8H2,1-2H3,(H,15,18)
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n/an/a 4.76E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant (His)6-tagged HER-2 autophosphorylation pre-incubated for 10 mins by DELFIA/Time-resolved fluorometry


Bioorg Med Chem 19: 6069-76 (2011)


Article DOI: 10.1016/j.bmc.2011.08.038
BindingDB Entry DOI: 10.7270/Q2DF6RM8
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50353968
PNG
(CHEMBL1828867)
Show SMILES Fc1ccc(CC(=O)NS(=O)(=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C14H11F2NO3S/c15-11-3-1-10(2-4-11)9-14(18)17-21(19,20)13-7-5-12(16)6-8-13/h1-8H,9H2,(H,17,18)
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n/an/a 5.17E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant (His)6-tagged EGFR autophosphorylation pre-incubated for 10 mins by DELFIA/Time-resolved fluorometry


Bioorg Med Chem 19: 6069-76 (2011)


Article DOI: 10.1016/j.bmc.2011.08.038
BindingDB Entry DOI: 10.7270/Q2DF6RM8
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50353969
PNG
(CHEMBL1828868)
Show SMILES Fc1ccc(CC(=O)NS(=O)(=O)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C14H11ClFNO3S/c15-11-3-7-13(8-4-11)21(19,20)17-14(18)9-10-1-5-12(16)6-2-10/h1-8H,9H2,(H,17,18)
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n/an/a 5.93E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant (His)6-tagged EGFR autophosphorylation pre-incubated for 10 mins by DELFIA/Time-resolved fluorometry


Bioorg Med Chem 19: 6069-76 (2011)


Article DOI: 10.1016/j.bmc.2011.08.038
BindingDB Entry DOI: 10.7270/Q2DF6RM8
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50353970
PNG
(CHEMBL1828869)
Show SMILES Fc1ccc(CC(=O)NS(=O)(=O)c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C14H11BrFNO3S/c15-11-3-7-13(8-4-11)21(19,20)17-14(18)9-10-1-5-12(16)6-2-10/h1-8H,9H2,(H,17,18)
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n/an/a 6.41E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant (His)6-tagged EGFR autophosphorylation pre-incubated for 10 mins by DELFIA/Time-resolved fluorometry


Bioorg Med Chem 19: 6069-76 (2011)


Article DOI: 10.1016/j.bmc.2011.08.038
BindingDB Entry DOI: 10.7270/Q2DF6RM8
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50353966
PNG
(CHEMBL1828865)
Show SMILES Fc1ccc(CC(=O)NS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C14H12FNO3S/c15-12-8-6-11(7-9-12)10-14(17)16-20(18,19)13-4-2-1-3-5-13/h1-9H,10H2,(H,16,17)
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n/an/a 6.74E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant (His)6-tagged EGFR autophosphorylation pre-incubated for 10 mins by DELFIA/Time-resolved fluorometry


Bioorg Med Chem 19: 6069-76 (2011)


Article DOI: 10.1016/j.bmc.2011.08.038
BindingDB Entry DOI: 10.7270/Q2DF6RM8
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50353968
PNG
(CHEMBL1828867)
Show SMILES Fc1ccc(CC(=O)NS(=O)(=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C14H11F2NO3S/c15-11-3-1-10(2-4-11)9-14(18)17-21(19,20)13-7-5-12(16)6-8-13/h1-8H,9H2,(H,17,18)
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n/an/a 7.02E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant (His)6-tagged HER-2 autophosphorylation pre-incubated for 10 mins by DELFIA/Time-resolved fluorometry


Bioorg Med Chem 19: 6069-76 (2011)


Article DOI: 10.1016/j.bmc.2011.08.038
BindingDB Entry DOI: 10.7270/Q2DF6RM8
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50353969
PNG
(CHEMBL1828868)
Show SMILES Fc1ccc(CC(=O)NS(=O)(=O)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C14H11ClFNO3S/c15-11-3-7-13(8-4-11)21(19,20)17-14(18)9-10-1-5-12(16)6-2-10/h1-8H,9H2,(H,17,18)
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n/an/a 7.56E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant (His)6-tagged HER-2 autophosphorylation pre-incubated for 10 mins by DELFIA/Time-resolved fluorometry


Bioorg Med Chem 19: 6069-76 (2011)


Article DOI: 10.1016/j.bmc.2011.08.038
BindingDB Entry DOI: 10.7270/Q2DF6RM8
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50353970
PNG
(CHEMBL1828869)
Show SMILES Fc1ccc(CC(=O)NS(=O)(=O)c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C14H11BrFNO3S/c15-11-3-7-13(8-4-11)21(19,20)17-14(18)9-10-1-5-12(16)6-2-10/h1-8H,9H2,(H,17,18)
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n/an/a 8.18E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant (His)6-tagged HER-2 autophosphorylation pre-incubated for 10 mins by DELFIA/Time-resolved fluorometry


Bioorg Med Chem 19: 6069-76 (2011)


Article DOI: 10.1016/j.bmc.2011.08.038
BindingDB Entry DOI: 10.7270/Q2DF6RM8
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50353967
PNG
(CHEMBL1828866)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)Cc1ccc(F)cc1
Show InChI InChI=1S/C15H14FNO3S/c1-11-2-8-14(9-3-11)21(19,20)17-15(18)10-12-4-6-13(16)7-5-12/h2-9H,10H2,1H3,(H,17,18)
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n/an/a 8.28E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant (His)6-tagged EGFR autophosphorylation pre-incubated for 10 mins by DELFIA/Time-resolved fluorometry


Bioorg Med Chem 19: 6069-76 (2011)


Article DOI: 10.1016/j.bmc.2011.08.038
BindingDB Entry DOI: 10.7270/Q2DF6RM8
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50353966
PNG
(CHEMBL1828865)
Show SMILES Fc1ccc(CC(=O)NS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C14H12FNO3S/c15-12-8-6-11(7-9-12)10-14(17)16-20(18,19)13-4-2-1-3-5-13/h1-9H,10H2,(H,16,17)
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n/an/a 8.41E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant (His)6-tagged HER-2 autophosphorylation pre-incubated for 10 mins by DELFIA/Time-resolved fluorometry


Bioorg Med Chem 19: 6069-76 (2011)


Article DOI: 10.1016/j.bmc.2011.08.038
BindingDB Entry DOI: 10.7270/Q2DF6RM8
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50353973
PNG
(CHEMBL1828872)
Show SMILES Fc1ccc(cc1)S(=O)(=O)NC(=O)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C14H11ClFNO3S/c15-11-3-1-10(2-4-11)9-14(18)17-21(19,20)13-7-5-12(16)6-8-13/h1-8H,9H2,(H,17,18)
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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 human recombinant (His)6-tagged EGFR autophosphorylation pre-incubated for 10 mins by DELFIA/Time-resolved fluorometry


Bioorg Med Chem 19: 6069-76 (2011)


Article DOI: 10.1016/j.bmc.2011.08.038
BindingDB Entry DOI: 10.7270/Q2DF6RM8
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50353974
PNG
(CHEMBL1828873)
Show SMILES Clc1ccc(CC(=O)NS(=O)(=O)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C14H11Cl2NO3S/c15-11-3-1-10(2-4-11)9-14(18)17-21(19,20)13-7-5-12(16)6-8-13/h1-8H,9H2,(H,17,18)
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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 recombinant (His)6-tagged EGFR autophosphorylation pre-incubated for 10 mins by DELFIA/Time-resolved fluorometry


Bioorg Med Chem 19: 6069-76 (2011)


Article DOI: 10.1016/j.bmc.2011.08.038
BindingDB Entry DOI: 10.7270/Q2DF6RM8
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50353967
PNG
(CHEMBL1828866)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)Cc1ccc(F)cc1
Show InChI InChI=1S/C15H14FNO3S/c1-11-2-8-14(9-3-11)21(19,20)17-15(18)10-12-4-6-13(16)7-5-12/h2-9H,10H2,1H3,(H,17,18)
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n/an/a 1.05E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant (His)6-tagged HER-2 autophosphorylation pre-incubated for 10 mins by DELFIA/Time-resolved fluorometry


Bioorg Med Chem 19: 6069-76 (2011)


Article DOI: 10.1016/j.bmc.2011.08.038
BindingDB Entry DOI: 10.7270/Q2DF6RM8
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50353973
PNG
(CHEMBL1828872)
Show SMILES Fc1ccc(cc1)S(=O)(=O)NC(=O)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C14H11ClFNO3S/c15-11-3-1-10(2-4-11)9-14(18)17-21(19,20)13-7-5-12(16)6-8-13/h1-8H,9H2,(H,17,18)
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n/an/a 1.11E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant (His)6-tagged HER-2 autophosphorylation pre-incubated for 10 mins by DELFIA/Time-resolved fluorometry


Bioorg Med Chem 19: 6069-76 (2011)


Article DOI: 10.1016/j.bmc.2011.08.038
BindingDB Entry DOI: 10.7270/Q2DF6RM8
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50353975
PNG
(CHEMBL1828874)
Show SMILES Clc1ccc(CC(=O)NS(=O)(=O)c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C14H11BrClNO3S/c15-11-3-7-13(8-4-11)21(19,20)17-14(18)9-10-1-5-12(16)6-2-10/h1-8H,9H2,(H,17,18)
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n/an/a 1.13E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant (His)6-tagged EGFR autophosphorylation pre-incubated for 10 mins by DELFIA/Time-resolved fluorometry


Bioorg Med Chem 19: 6069-76 (2011)


Article DOI: 10.1016/j.bmc.2011.08.038
BindingDB Entry DOI: 10.7270/Q2DF6RM8
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50353971
PNG
(CHEMBL1828870)
Show SMILES Clc1ccc(CC(=O)NS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C14H12ClNO3S/c15-12-8-6-11(7-9-12)10-14(17)16-20(18,19)13-4-2-1-3-5-13/h1-9H,10H2,(H,16,17)
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n/an/a 1.19E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant (His)6-tagged EGFR autophosphorylation pre-incubated for 10 mins by DELFIA/Time-resolved fluorometry


Bioorg Med Chem 19: 6069-76 (2011)


Article DOI: 10.1016/j.bmc.2011.08.038
BindingDB Entry DOI: 10.7270/Q2DF6RM8
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50353971
PNG
(CHEMBL1828870)
Show SMILES Clc1ccc(CC(=O)NS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C14H12ClNO3S/c15-12-8-6-11(7-9-12)10-14(17)16-20(18,19)13-4-2-1-3-5-13/h1-9H,10H2,(H,16,17)
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n/an/a 1.31E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant (His)6-tagged HER-2 autophosphorylation pre-incubated for 10 mins by DELFIA/Time-resolved fluorometry


Bioorg Med Chem 19: 6069-76 (2011)


Article DOI: 10.1016/j.bmc.2011.08.038
BindingDB Entry DOI: 10.7270/Q2DF6RM8
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50353974
PNG
(CHEMBL1828873)
Show SMILES Clc1ccc(CC(=O)NS(=O)(=O)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C14H11Cl2NO3S/c15-11-3-1-10(2-4-11)9-14(18)17-21(19,20)13-7-5-12(16)6-8-13/h1-8H,9H2,(H,17,18)
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n/an/a 1.33E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant (His)6-tagged HER-2 autophosphorylation pre-incubated for 10 mins by DELFIA/Time-resolved fluorometry


Bioorg Med Chem 19: 6069-76 (2011)


Article DOI: 10.1016/j.bmc.2011.08.038
BindingDB Entry DOI: 10.7270/Q2DF6RM8
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50353975
PNG
(CHEMBL1828874)
Show SMILES Clc1ccc(CC(=O)NS(=O)(=O)c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C14H11BrClNO3S/c15-11-3-7-13(8-4-11)21(19,20)17-14(18)9-10-1-5-12(16)6-2-10/h1-8H,9H2,(H,17,18)
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n/an/a 1.36E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant (His)6-tagged HER-2 autophosphorylation pre-incubated for 10 mins by DELFIA/Time-resolved fluorometry


Bioorg Med Chem 19: 6069-76 (2011)


Article DOI: 10.1016/j.bmc.2011.08.038
BindingDB Entry DOI: 10.7270/Q2DF6RM8
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50353972
PNG
(CHEMBL1828871)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C15H14ClNO3S/c1-11-2-8-14(9-3-11)21(19,20)17-15(18)10-12-4-6-13(16)7-5-12/h2-9H,10H2,1H3,(H,17,18)
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n/an/a 1.37E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant (His)6-tagged EGFR autophosphorylation pre-incubated for 10 mins by DELFIA/Time-resolved fluorometry


Bioorg Med Chem 19: 6069-76 (2011)


Article DOI: 10.1016/j.bmc.2011.08.038
BindingDB Entry DOI: 10.7270/Q2DF6RM8
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50353978
PNG
(CHEMBL1828877)
Show SMILES Fc1ccc(cc1)S(=O)(=O)NC(=O)Cc1ccc(Br)cc1
Show InChI InChI=1S/C14H11BrFNO3S/c15-11-3-1-10(2-4-11)9-14(18)17-21(19,20)13-7-5-12(16)6-8-13/h1-8H,9H2,(H,17,18)
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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 (His)6-tagged EGFR autophosphorylation pre-incubated for 10 mins by DELFIA/Time-resolved fluorometry


Bioorg Med Chem 19: 6069-76 (2011)


Article DOI: 10.1016/j.bmc.2011.08.038
BindingDB Entry DOI: 10.7270/Q2DF6RM8
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50353972
PNG
(CHEMBL1828871)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C15H14ClNO3S/c1-11-2-8-14(9-3-11)21(19,20)17-15(18)10-12-4-6-13(16)7-5-12/h2-9H,10H2,1H3,(H,17,18)
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n/an/a 1.56E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant (His)6-tagged HER-2 autophosphorylation pre-incubated for 10 mins by DELFIA/Time-resolved fluorometry


Bioorg Med Chem 19: 6069-76 (2011)


Article DOI: 10.1016/j.bmc.2011.08.038
BindingDB Entry DOI: 10.7270/Q2DF6RM8
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50353979
PNG
(CHEMBL1828878)
Show SMILES Clc1ccc(cc1)S(=O)(=O)NC(=O)Cc1ccc(Br)cc1
Show InChI InChI=1S/C14H11BrClNO3S/c15-11-3-1-10(2-4-11)9-14(18)17-21(19,20)13-7-5-12(16)6-8-13/h1-8H,9H2,(H,17,18)
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n/an/a 1.59E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant (His)6-tagged EGFR autophosphorylation pre-incubated for 10 mins by DELFIA/Time-resolved fluorometry


Bioorg Med Chem 19: 6069-76 (2011)


Article DOI: 10.1016/j.bmc.2011.08.038
BindingDB Entry DOI: 10.7270/Q2DF6RM8
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50353978
PNG
(CHEMBL1828877)
Show SMILES Fc1ccc(cc1)S(=O)(=O)NC(=O)Cc1ccc(Br)cc1
Show InChI InChI=1S/C14H11BrFNO3S/c15-11-3-1-10(2-4-11)9-14(18)17-21(19,20)13-7-5-12(16)6-8-13/h1-8H,9H2,(H,17,18)
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n/an/a 1.63E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant (His)6-tagged HER-2 autophosphorylation pre-incubated for 10 mins by DELFIA/Time-resolved fluorometry


Bioorg Med Chem 19: 6069-76 (2011)


Article DOI: 10.1016/j.bmc.2011.08.038
BindingDB Entry DOI: 10.7270/Q2DF6RM8
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50353990
PNG
(CHEMBL1828879)
Show SMILES Brc1ccc(CC(=O)NS(=O)(=O)c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C14H11Br2NO3S/c15-11-3-1-10(2-4-11)9-14(18)17-21(19,20)13-7-5-12(16)6-8-13/h1-8H,9H2,(H,17,18)
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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 human recombinant (His)6-tagged EGFR autophosphorylation pre-incubated for 10 mins by DELFIA/Time-resolved fluorometry


Bioorg Med Chem 19: 6069-76 (2011)


Article DOI: 10.1016/j.bmc.2011.08.038
BindingDB Entry DOI: 10.7270/Q2DF6RM8
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50353976
PNG
(CHEMBL1828875)
Show SMILES Brc1ccc(CC(=O)NS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C14H12BrNO3S/c15-12-8-6-11(7-9-12)10-14(17)16-20(18,19)13-4-2-1-3-5-13/h1-9H,10H2,(H,16,17)
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n/an/a 1.78E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant (His)6-tagged EGFR autophosphorylation pre-incubated for 10 mins by DELFIA/Time-resolved fluorometry


Bioorg Med Chem 19: 6069-76 (2011)


Article DOI: 10.1016/j.bmc.2011.08.038
BindingDB Entry DOI: 10.7270/Q2DF6RM8
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50353977
PNG
(CHEMBL1828876)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)Cc1ccc(Br)cc1
Show InChI InChI=1S/C15H14BrNO3S/c1-11-2-8-14(9-3-11)21(19,20)17-15(18)10-12-4-6-13(16)7-5-12/h2-9H,10H2,1H3,(H,17,18)
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n/an/a 1.84E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant (His)6-tagged EGFR autophosphorylation pre-incubated for 10 mins by DELFIA/Time-resolved fluorometry


Bioorg Med Chem 19: 6069-76 (2011)


Article DOI: 10.1016/j.bmc.2011.08.038
BindingDB Entry DOI: 10.7270/Q2DF6RM8
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50353991
PNG
(CHEMBL1829273)
Show SMILES Fc1ccc(cc1)S(=O)(=O)NC(=O)Cc1cccc(Br)c1
Show InChI InChI=1S/C14H11BrFNO3S/c15-11-3-1-2-10(8-11)9-14(18)17-21(19,20)13-6-4-12(16)5-7-13/h1-8H,9H2,(H,17,18)
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n/an/a 1.87E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant (His)6-tagged EGFR autophosphorylation pre-incubated for 10 mins by DELFIA/Time-resolved fluorometry


Bioorg Med Chem 19: 6069-76 (2011)


Article DOI: 10.1016/j.bmc.2011.08.038
BindingDB Entry DOI: 10.7270/Q2DF6RM8
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50353979
PNG
(CHEMBL1828878)
Show SMILES Clc1ccc(cc1)S(=O)(=O)NC(=O)Cc1ccc(Br)cc1
Show InChI InChI=1S/C14H11BrClNO3S/c15-11-3-1-10(2-4-11)9-14(18)17-21(19,20)13-7-5-12(16)6-8-13/h1-8H,9H2,(H,17,18)
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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 human recombinant (His)6-tagged HER-2 autophosphorylation pre-incubated for 10 mins by DELFIA/Time-resolved fluorometry


Bioorg Med Chem 19: 6069-76 (2011)


Article DOI: 10.1016/j.bmc.2011.08.038
BindingDB Entry DOI: 10.7270/Q2DF6RM8
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50353976
PNG
(CHEMBL1828875)
Show SMILES Brc1ccc(CC(=O)NS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C14H12BrNO3S/c15-12-8-6-11(7-9-12)10-14(17)16-20(18,19)13-4-2-1-3-5-13/h1-9H,10H2,(H,16,17)
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n/an/a 1.91E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant (His)6-tagged HER-2 autophosphorylation pre-incubated for 10 mins by DELFIA/Time-resolved fluorometry


Bioorg Med Chem 19: 6069-76 (2011)


Article DOI: 10.1016/j.bmc.2011.08.038
BindingDB Entry DOI: 10.7270/Q2DF6RM8
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50353990
PNG
(CHEMBL1828879)
Show SMILES Brc1ccc(CC(=O)NS(=O)(=O)c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C14H11Br2NO3S/c15-11-3-1-10(2-4-11)9-14(18)17-21(19,20)13-7-5-12(16)6-8-13/h1-8H,9H2,(H,17,18)
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n/an/a 1.98E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant (His)6-tagged HER-2 autophosphorylation pre-incubated for 10 mins by DELFIA/Time-resolved fluorometry


Bioorg Med Chem 19: 6069-76 (2011)


Article DOI: 10.1016/j.bmc.2011.08.038
BindingDB Entry DOI: 10.7270/Q2DF6RM8
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50353977
PNG
(CHEMBL1828876)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)Cc1ccc(Br)cc1
Show InChI InChI=1S/C15H14BrNO3S/c1-11-2-8-14(9-3-11)21(19,20)17-15(18)10-12-4-6-13(16)7-5-12/h2-9H,10H2,1H3,(H,17,18)
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n/an/a 2.03E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant (His)6-tagged HER-2 autophosphorylation pre-incubated for 10 mins by DELFIA/Time-resolved fluorometry


Bioorg Med Chem 19: 6069-76 (2011)


Article DOI: 10.1016/j.bmc.2011.08.038
BindingDB Entry DOI: 10.7270/Q2DF6RM8
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50353991
PNG
(CHEMBL1829273)
Show SMILES Fc1ccc(cc1)S(=O)(=O)NC(=O)Cc1cccc(Br)c1
Show InChI InChI=1S/C14H11BrFNO3S/c15-11-3-1-2-10(8-11)9-14(18)17-21(19,20)13-6-4-12(16)5-7-13/h1-8H,9H2,(H,17,18)
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n/an/a 2.05E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant (His)6-tagged HER-2 autophosphorylation pre-incubated for 10 mins by DELFIA/Time-resolved fluorometry


Bioorg Med Chem 19: 6069-76 (2011)


Article DOI: 10.1016/j.bmc.2011.08.038
BindingDB Entry DOI: 10.7270/Q2DF6RM8
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50353987
PNG
(CHEMBL1829274)
Show SMILES Clc1ccc(cc1)S(=O)(=O)NC(=O)Cc1cccc(Br)c1
Show InChI InChI=1S/C14H11BrClNO3S/c15-11-3-1-2-10(8-11)9-14(18)17-21(19,20)13-6-4-12(16)5-7-13/h1-8H,9H2,(H,17,18)
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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 human recombinant (His)6-tagged EGFR autophosphorylation pre-incubated for 10 mins by DELFIA/Time-resolved fluorometry


Bioorg Med Chem 19: 6069-76 (2011)


Article DOI: 10.1016/j.bmc.2011.08.038
BindingDB Entry DOI: 10.7270/Q2DF6RM8
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50353982
PNG
(CHEMBL1828882)
Show SMILES COc1ccc(CC(=O)NS(=O)(=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C15H14FNO4S/c1-21-13-6-2-11(3-7-13)10-15(18)17-22(19,20)14-8-4-12(16)5-9-14/h2-9H,10H2,1H3,(H,17,18)
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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 recombinant (His)6-tagged EGFR autophosphorylation pre-incubated for 10 mins by DELFIA/Time-resolved fluorometry


Bioorg Med Chem 19: 6069-76 (2011)


Article DOI: 10.1016/j.bmc.2011.08.038
BindingDB Entry DOI: 10.7270/Q2DF6RM8
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50353982
PNG
(CHEMBL1828882)
Show SMILES COc1ccc(CC(=O)NS(=O)(=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C15H14FNO4S/c1-21-13-6-2-11(3-7-13)10-15(18)17-22(19,20)14-8-4-12(16)5-9-14/h2-9H,10H2,1H3,(H,17,18)
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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 human recombinant (His)6-tagged HER-2 autophosphorylation pre-incubated for 10 mins by DELFIA/Time-resolved fluorometry


Bioorg Med Chem 19: 6069-76 (2011)


Article DOI: 10.1016/j.bmc.2011.08.038
BindingDB Entry DOI: 10.7270/Q2DF6RM8
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50353987
PNG
(CHEMBL1829274)
Show SMILES Clc1ccc(cc1)S(=O)(=O)NC(=O)Cc1cccc(Br)c1
Show InChI InChI=1S/C14H11BrClNO3S/c15-11-3-1-2-10(8-11)9-14(18)17-21(19,20)13-6-4-12(16)5-7-13/h1-8H,9H2,(H,17,18)
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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 human recombinant (His)6-tagged HER-2 autophosphorylation pre-incubated for 10 mins by DELFIA/Time-resolved fluorometry


Bioorg Med Chem 19: 6069-76 (2011)


Article DOI: 10.1016/j.bmc.2011.08.038
BindingDB Entry DOI: 10.7270/Q2DF6RM8
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50353984
PNG
(CHEMBL1828884)
Show SMILES COc1ccc(CC(=O)NS(=O)(=O)c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C15H14BrNO4S/c1-21-13-6-2-11(3-7-13)10-15(18)17-22(19,20)14-8-4-12(16)5-9-14/h2-9H,10H2,1H3,(H,17,18)
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n/an/a 2.42E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant (His)6-tagged EGFR autophosphorylation pre-incubated for 10 mins by DELFIA/Time-resolved fluorometry


Bioorg Med Chem 19: 6069-76 (2011)


Article DOI: 10.1016/j.bmc.2011.08.038
BindingDB Entry DOI: 10.7270/Q2DF6RM8
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50353988
PNG
(CHEMBL1829275)
Show SMILES Brc1ccc(cc1)S(=O)(=O)NC(=O)Cc1cccc(Br)c1
Show InChI InChI=1S/C14H11Br2NO3S/c15-11-4-6-13(7-5-11)21(19,20)17-14(18)9-10-2-1-3-12(16)8-10/h1-8H,9H2,(H,17,18)
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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 (His)6-tagged EGFR autophosphorylation pre-incubated for 10 mins by DELFIA/Time-resolved fluorometry


Bioorg Med Chem 19: 6069-76 (2011)


Article DOI: 10.1016/j.bmc.2011.08.038
BindingDB Entry DOI: 10.7270/Q2DF6RM8
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50353985
PNG
(CHEMBL1829271)
Show SMILES Brc1cccc(CC(=O)NS(=O)(=O)c2ccccc2)c1
Show InChI InChI=1S/C14H12BrNO3S/c15-12-6-4-5-11(9-12)10-14(17)16-20(18,19)13-7-2-1-3-8-13/h1-9H,10H2,(H,16,17)
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n/an/a 2.47E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant (His)6-tagged EGFR autophosphorylation pre-incubated for 10 mins by DELFIA/Time-resolved fluorometry


Bioorg Med Chem 19: 6069-76 (2011)


Article DOI: 10.1016/j.bmc.2011.08.038
BindingDB Entry DOI: 10.7270/Q2DF6RM8
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50353984
PNG
(CHEMBL1828884)
Show SMILES COc1ccc(CC(=O)NS(=O)(=O)c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C15H14BrNO4S/c1-21-13-6-2-11(3-7-13)10-15(18)17-22(19,20)14-8-4-12(16)5-9-14/h2-9H,10H2,1H3,(H,17,18)
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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 (His)6-tagged HER-2 autophosphorylation pre-incubated for 10 mins by DELFIA/Time-resolved fluorometry


Bioorg Med Chem 19: 6069-76 (2011)


Article DOI: 10.1016/j.bmc.2011.08.038
BindingDB Entry DOI: 10.7270/Q2DF6RM8
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50353986
PNG
(CHEMBL1829272)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)Cc1cccc(Br)c1
Show InChI InChI=1S/C15H14BrNO3S/c1-11-5-7-14(8-6-11)21(19,20)17-15(18)10-12-3-2-4-13(16)9-12/h2-9H,10H2,1H3,(H,17,18)
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n/an/a 2.62E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant (His)6-tagged EGFR autophosphorylation pre-incubated for 10 mins by DELFIA/Time-resolved fluorometry


Bioorg Med Chem 19: 6069-76 (2011)


Article DOI: 10.1016/j.bmc.2011.08.038
BindingDB Entry DOI: 10.7270/Q2DF6RM8
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50353980
PNG
(CHEMBL1828880)
Show SMILES COc1ccc(CC(=O)NS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C15H15NO4S/c1-20-13-9-7-12(8-10-13)11-15(17)16-21(18,19)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,16,17)
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n/an/a 2.62E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant (His)6-tagged EGFR autophosphorylation pre-incubated for 10 mins by DELFIA/Time-resolved fluorometry


Bioorg Med Chem 19: 6069-76 (2011)


Article DOI: 10.1016/j.bmc.2011.08.038
BindingDB Entry DOI: 10.7270/Q2DF6RM8
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50353985
PNG
(CHEMBL1829271)
Show SMILES Brc1cccc(CC(=O)NS(=O)(=O)c2ccccc2)c1
Show InChI InChI=1S/C14H12BrNO3S/c15-12-6-4-5-11(9-12)10-14(17)16-20(18,19)13-7-2-1-3-8-13/h1-9H,10H2,(H,16,17)
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n/an/a 2.63E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant (His)6-tagged HER-2 autophosphorylation pre-incubated for 10 mins by DELFIA/Time-resolved fluorometry


Bioorg Med Chem 19: 6069-76 (2011)


Article DOI: 10.1016/j.bmc.2011.08.038
BindingDB Entry DOI: 10.7270/Q2DF6RM8
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50353988
PNG
(CHEMBL1829275)
Show SMILES Brc1ccc(cc1)S(=O)(=O)NC(=O)Cc1cccc(Br)c1
Show InChI InChI=1S/C14H11Br2NO3S/c15-11-4-6-13(7-5-11)21(19,20)17-14(18)9-10-2-1-3-12(16)8-10/h1-8H,9H2,(H,17,18)
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n/an/a 2.74E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant (His)6-tagged HER-2 autophosphorylation pre-incubated for 10 mins by DELFIA/Time-resolved fluorometry


Bioorg Med Chem 19: 6069-76 (2011)


Article DOI: 10.1016/j.bmc.2011.08.038
BindingDB Entry DOI: 10.7270/Q2DF6RM8
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50353986
PNG
(CHEMBL1829272)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)Cc1cccc(Br)c1
Show InChI InChI=1S/C15H14BrNO3S/c1-11-5-7-14(8-6-11)21(19,20)17-15(18)10-12-3-2-4-13(16)9-12/h2-9H,10H2,1H3,(H,17,18)
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n/an/a 2.79E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant (His)6-tagged HER-2 autophosphorylation pre-incubated for 10 mins by DELFIA/Time-resolved fluorometry


Bioorg Med Chem 19: 6069-76 (2011)


Article DOI: 10.1016/j.bmc.2011.08.038
BindingDB Entry DOI: 10.7270/Q2DF6RM8
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50353980
PNG
(CHEMBL1828880)
Show SMILES COc1ccc(CC(=O)NS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C15H15NO4S/c1-20-13-9-7-12(8-10-13)11-15(17)16-21(18,19)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,16,17)
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n/an/a 2.91E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant (His)6-tagged HER-2 autophosphorylation pre-incubated for 10 mins by DELFIA/Time-resolved fluorometry


Bioorg Med Chem 19: 6069-76 (2011)


Article DOI: 10.1016/j.bmc.2011.08.038
BindingDB Entry DOI: 10.7270/Q2DF6RM8
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50353983
PNG
(CHEMBL1828883)
Show SMILES COc1ccc(CC(=O)NS(=O)(=O)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C15H14ClNO4S/c1-21-13-6-2-11(3-7-13)10-15(18)17-22(19,20)14-8-4-12(16)5-9-14/h2-9H,10H2,1H3,(H,17,18)
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n/an/a 3.29E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant (His)6-tagged EGFR autophosphorylation pre-incubated for 10 mins by DELFIA/Time-resolved fluorometry


Bioorg Med Chem 19: 6069-76 (2011)


Article DOI: 10.1016/j.bmc.2011.08.038
BindingDB Entry DOI: 10.7270/Q2DF6RM8
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50353983
PNG
(CHEMBL1828883)
Show SMILES COc1ccc(CC(=O)NS(=O)(=O)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C15H14ClNO4S/c1-21-13-6-2-11(3-7-13)10-15(18)17-22(19,20)14-8-4-12(16)5-9-14/h2-9H,10H2,1H3,(H,17,18)
PDB
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CHEMBL
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UniChem

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Article
PubMed
n/an/a 3.79E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant (His)6-tagged HER-2 autophosphorylation pre-incubated for 10 mins by DELFIA/Time-resolved fluorometry


Bioorg Med Chem 19: 6069-76 (2011)


Article DOI: 10.1016/j.bmc.2011.08.038
BindingDB Entry DOI: 10.7270/Q2DF6RM8
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50353981
PNG
(CHEMBL1828881)
Show SMILES COc1ccc(CC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C16H17NO4S/c1-12-3-9-15(10-4-12)22(19,20)17-16(18)11-13-5-7-14(21-2)8-6-13/h3-10H,11H2,1-2H3,(H,17,18)
PDB
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KEGG

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PubMed
n/an/a 3.85E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant (His)6-tagged EGFR autophosphorylation pre-incubated for 10 mins by DELFIA/Time-resolved fluorometry


Bioorg Med Chem 19: 6069-76 (2011)


Article DOI: 10.1016/j.bmc.2011.08.038
BindingDB Entry DOI: 10.7270/Q2DF6RM8
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50353981
PNG
(CHEMBL1828881)
Show SMILES COc1ccc(CC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C16H17NO4S/c1-12-3-9-15(10-4-12)22(19,20)17-16(18)11-13-5-7-14(21-2)8-6-13/h3-10H,11H2,1-2H3,(H,17,18)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant (His)6-tagged HER-2 autophosphorylation pre-incubated for 10 mins by DELFIA/Time-resolved fluorometry


Bioorg Med Chem 19: 6069-76 (2011)


Article DOI: 10.1016/j.bmc.2011.08.038
BindingDB Entry DOI: 10.7270/Q2DF6RM8
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%