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PubMed code 23391364

Compile data set for download or QSAR
Found 78 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Epidermal growth factor receptor


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



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) autophosphorylation after 1 hr


Bioorg Med Chem 21: 1050-63 (2013)


Article DOI: 10.1016/j.bmc.2013.01.013
BindingDB Entry DOI: 10.7270/Q27S7Q3D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50427225
PNG
(CHEMBL2325101)
Show SMILES Clc1ccc(cc1Cl)C1=NN(C(C1)c1ccc2ccccc2c1)c1ccccc1 |t:9|
Show InChI InChI=1S/C25H18Cl2N2/c26-22-13-12-19(15-23(22)27)24-16-25(29(28-24)21-8-2-1-3-9-21)20-11-10-17-6-4-5-7-18(17)14-20/h1-15,25H,16H2
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Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) autophosphorylation after 1 hr


Bioorg Med Chem 21: 1050-63 (2013)


Article DOI: 10.1016/j.bmc.2013.01.013
BindingDB Entry DOI: 10.7270/Q27S7Q3D
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50427226
PNG
(CHEMBL2325100)
Show SMILES Cc1ccc(cc1)C1=NN(C(C1)c1ccc2ccccc2c1)c1ccccc1 |t:8|
Show InChI InChI=1S/C26H22N2/c1-19-11-13-21(14-12-19)25-18-26(28(27-25)24-9-3-2-4-10-24)23-16-15-20-7-5-6-8-22(20)17-23/h2-17,26H,18H2,1H3
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Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) autophosphorylation after 1 hr


Bioorg Med Chem 21: 1050-63 (2013)


Article DOI: 10.1016/j.bmc.2013.01.013
BindingDB Entry DOI: 10.7270/Q27S7Q3D
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50427227
PNG
(CHEMBL2325092)
Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1cccc2ccccc12)c1ccccc1 |t:9|
Show InChI InChI=1S/C26H22N2O/c1-29-22-16-14-20(15-17-22)25-18-26(28(27-25)21-10-3-2-4-11-21)24-13-7-9-19-8-5-6-12-23(19)24/h2-17,26H,18H2,1H3
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Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) autophosphorylation after 1 hr


Bioorg Med Chem 21: 1050-63 (2013)


Article DOI: 10.1016/j.bmc.2013.01.013
BindingDB Entry DOI: 10.7270/Q27S7Q3D
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50427233
PNG
(CHEMBL2325097)
Show SMILES Clc1ccc(cc1)C1=NN(C(C1)c1ccc2ccccc2c1)c1ccccc1 |t:8|
Show InChI InChI=1S/C25H19ClN2/c26-22-14-12-19(13-15-22)24-17-25(28(27-24)23-8-2-1-3-9-23)21-11-10-18-6-4-5-7-20(18)16-21/h1-16,25H,17H2
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Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) autophosphorylation after 1 hr


Bioorg Med Chem 21: 1050-63 (2013)


Article DOI: 10.1016/j.bmc.2013.01.013
BindingDB Entry DOI: 10.7270/Q27S7Q3D
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50427231
PNG
(CHEMBL2325099)
Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1ccc2ccccc2c1)c1ccccc1 |t:9|
Show InChI InChI=1S/C26H22N2O/c1-29-24-15-13-20(14-16-24)25-18-26(28(27-25)23-9-3-2-4-10-23)22-12-11-19-7-5-6-8-21(19)17-22/h2-17,26H,18H2,1H3
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Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) autophosphorylation after 1 hr


Bioorg Med Chem 21: 1050-63 (2013)


Article DOI: 10.1016/j.bmc.2013.01.013
BindingDB Entry DOI: 10.7270/Q27S7Q3D
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50427236
PNG
(CHEMBL2325094)
Show SMILES Clc1ccc(cc1Cl)C1=NN(C(C1)c1cccc2ccccc12)c1ccccc1 |t:9|
Show InChI InChI=1S/C25H18Cl2N2/c26-22-14-13-18(15-23(22)27)24-16-25(29(28-24)19-9-2-1-3-10-19)21-12-6-8-17-7-4-5-11-20(17)21/h1-15,25H,16H2
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Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) autophosphorylation after 1 hr


Bioorg Med Chem 21: 1050-63 (2013)


Article DOI: 10.1016/j.bmc.2013.01.013
BindingDB Entry DOI: 10.7270/Q27S7Q3D
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50427230
PNG
(CHEMBL2325106)
Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1cccc2ccccc12)C(N)=S |t:9|
Show InChI InChI=1S/C21H19N3OS/c1-25-16-11-9-15(10-12-16)19-13-20(24(23-19)21(22)26)18-8-4-6-14-5-2-3-7-17(14)18/h2-12,20H,13H2,1H3,(H2,22,26)
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Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) autophosphorylation after 1 hr


Bioorg Med Chem 21: 1050-63 (2013)


Article DOI: 10.1016/j.bmc.2013.01.013
BindingDB Entry DOI: 10.7270/Q27S7Q3D
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


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

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HER-2 cytoplasmic domain (676 to 1245) autophosphorylation after 1 hr


Bioorg Med Chem 21: 1050-63 (2013)


Article DOI: 10.1016/j.bmc.2013.01.013
BindingDB Entry DOI: 10.7270/Q27S7Q3D
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50427237
PNG
(CHEMBL2325093)
Show SMILES Cc1ccc(cc1)C1=NN(C(C1)c1cccc2ccccc12)c1ccccc1 |t:8|
Show InChI InChI=1S/C26H22N2/c1-19-14-16-21(17-15-19)25-18-26(28(27-25)22-10-3-2-4-11-22)24-13-7-9-20-8-5-6-12-23(20)24/h2-17,26H,18H2,1H3
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Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) autophosphorylation after 1 hr


Bioorg Med Chem 21: 1050-63 (2013)


Article DOI: 10.1016/j.bmc.2013.01.013
BindingDB Entry DOI: 10.7270/Q27S7Q3D
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50427247
PNG
(CHEMBL2325108)
Show SMILES NC(=S)N1N=C(CC1c1cccc2ccccc12)c1ccc(Cl)c(Cl)c1 |c:4|
Show InChI InChI=1S/C20H15Cl2N3S/c21-16-9-8-13(10-17(16)22)18-11-19(25(24-18)20(23)26)15-7-3-5-12-4-1-2-6-14(12)15/h1-10,19H,11H2,(H2,23,26)
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Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) autophosphorylation after 1 hr


Bioorg Med Chem 21: 1050-63 (2013)


Article DOI: 10.1016/j.bmc.2013.01.013
BindingDB Entry DOI: 10.7270/Q27S7Q3D
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50427235
PNG
(CHEMBL2325095)
Show SMILES C1C(N(N=C1c1ccccc1)c1ccccc1)c1ccc2ccccc2c1 |c:3|
Show InChI InChI=1S/C25H20N2/c1-3-10-20(11-4-1)24-18-25(27(26-24)23-13-5-2-6-14-23)22-16-15-19-9-7-8-12-21(19)17-22/h1-17,25H,18H2
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Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) autophosphorylation after 1 hr


Bioorg Med Chem 21: 1050-63 (2013)


Article DOI: 10.1016/j.bmc.2013.01.013
BindingDB Entry DOI: 10.7270/Q27S7Q3D
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50427234
PNG
(CHEMBL2325096)
Show SMILES Fc1ccc(cc1)C1=NN(C(C1)c1ccc2ccccc2c1)c1ccccc1 |t:8|
Show InChI InChI=1S/C25H19FN2/c26-22-14-12-19(13-15-22)24-17-25(28(27-24)23-8-2-1-3-9-23)21-11-10-18-6-4-5-7-20(18)16-21/h1-16,25H,17H2
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Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) autophosphorylation after 1 hr


Bioorg Med Chem 21: 1050-63 (2013)


Article DOI: 10.1016/j.bmc.2013.01.013
BindingDB Entry DOI: 10.7270/Q27S7Q3D
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50427243
PNG
(CHEMBL2324871)
Show SMILES NC(=S)N1N=C(CC1c1ccc2ccccc2c1)c1ccc(Br)cc1 |c:4|
Show InChI InChI=1S/C20H16BrN3S/c21-17-9-7-14(8-10-17)18-12-19(24(23-18)20(22)25)16-6-5-13-3-1-2-4-15(13)11-16/h1-11,19H,12H2,(H2,22,25)
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Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) autophosphorylation after 1 hr


Bioorg Med Chem 21: 1050-63 (2013)


Article DOI: 10.1016/j.bmc.2013.01.013
BindingDB Entry DOI: 10.7270/Q27S7Q3D
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50427238
PNG
(CHEMBL2325091)
Show SMILES Brc1ccc(cc1)C1=NN(C(C1)c1cccc2ccccc12)c1ccccc1 |t:8|
Show InChI InChI=1S/C25H19BrN2/c26-20-15-13-19(14-16-20)24-17-25(28(27-24)21-9-2-1-3-10-21)23-12-6-8-18-7-4-5-11-22(18)23/h1-16,25H,17H2
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Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) autophosphorylation after 1 hr


Bioorg Med Chem 21: 1050-63 (2013)


Article DOI: 10.1016/j.bmc.2013.01.013
BindingDB Entry DOI: 10.7270/Q27S7Q3D
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50427229
PNG
(CHEMBL2324873)
Show SMILES Cc1ccc(cc1)C1=NN(C(C1)c1ccc2ccccc2c1)C(N)=S |t:8|
Show InChI InChI=1S/C21H19N3S/c1-14-6-8-16(9-7-14)19-13-20(24(23-19)21(22)25)18-11-10-15-4-2-3-5-17(15)12-18/h2-12,20H,13H2,1H3,(H2,22,25)
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Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) autophosphorylation after 1 hr


Bioorg Med Chem 21: 1050-63 (2013)


Article DOI: 10.1016/j.bmc.2013.01.013
BindingDB Entry DOI: 10.7270/Q27S7Q3D
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50427244
PNG
(CHEMBL2324870)
Show SMILES NC(=S)N1N=C(CC1c1ccc2ccccc2c1)c1ccc(Cl)cc1 |c:4|
Show InChI InChI=1S/C20H16ClN3S/c21-17-9-7-14(8-10-17)18-12-19(24(23-18)20(22)25)16-6-5-13-3-1-2-4-15(13)11-16/h1-11,19H,12H2,(H2,22,25)
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Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) autophosphorylation after 1 hr


Bioorg Med Chem 21: 1050-63 (2013)


Article DOI: 10.1016/j.bmc.2013.01.013
BindingDB Entry DOI: 10.7270/Q27S7Q3D
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50427228
PNG
(CHEMBL2325087)
Show SMILES NC(=S)N1N=C(CC1c1ccc2ccccc2c1)c1ccc(Cl)c(Cl)c1 |c:4|
Show InChI InChI=1S/C20H15Cl2N3S/c21-16-8-7-14(10-17(16)22)18-11-19(25(24-18)20(23)26)15-6-5-12-3-1-2-4-13(12)9-15/h1-10,19H,11H2,(H2,23,26)
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Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) autophosphorylation after 1 hr


Bioorg Med Chem 21: 1050-63 (2013)


Article DOI: 10.1016/j.bmc.2013.01.013
BindingDB Entry DOI: 10.7270/Q27S7Q3D
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50427239
PNG
(CHEMBL2325090)
Show SMILES Clc1ccc(cc1)C1=NN(C(C1)c1cccc2ccccc12)c1ccccc1 |t:8|
Show InChI InChI=1S/C25H19ClN2/c26-20-15-13-19(14-16-20)24-17-25(28(27-24)21-9-2-1-3-10-21)23-12-6-8-18-7-4-5-11-22(18)23/h1-16,25H,17H2
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Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) autophosphorylation after 1 hr


Bioorg Med Chem 21: 1050-63 (2013)


Article DOI: 10.1016/j.bmc.2013.01.013
BindingDB Entry DOI: 10.7270/Q27S7Q3D
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50427232
PNG
(CHEMBL2325098)
Show SMILES Brc1ccc(cc1)C1=NN(C(C1)c1ccc2ccccc2c1)c1ccccc1 |t:8|
Show InChI InChI=1S/C25H19BrN2/c26-22-14-12-19(13-15-22)24-17-25(28(27-24)23-8-2-1-3-9-23)21-11-10-18-6-4-5-7-20(18)16-21/h1-16,25H,17H2
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Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) autophosphorylation after 1 hr


Bioorg Med Chem 21: 1050-63 (2013)


Article DOI: 10.1016/j.bmc.2013.01.013
BindingDB Entry DOI: 10.7270/Q27S7Q3D
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50427228
PNG
(CHEMBL2325087)
Show SMILES NC(=S)N1N=C(CC1c1ccc2ccccc2c1)c1ccc(Cl)c(Cl)c1 |c:4|
Show InChI InChI=1S/C20H15Cl2N3S/c21-16-8-7-14(10-17(16)22)18-11-19(25(24-18)20(23)26)15-6-5-12-3-1-2-4-13(12)9-15/h1-10,19H,11H2,(H2,23,26)
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n/an/a 880n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HER-2 cytoplasmic domain (676 to 1245) autophosphorylation after 1 hr


Bioorg Med Chem 21: 1050-63 (2013)


Article DOI: 10.1016/j.bmc.2013.01.013
BindingDB Entry DOI: 10.7270/Q27S7Q3D
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50427250
PNG
(CHEMBL2325104)
Show SMILES NC(=S)N1N=C(CC1c1cccc2ccccc12)c1ccc(Cl)cc1 |c:4|
Show InChI InChI=1S/C20H16ClN3S/c21-15-10-8-14(9-11-15)18-12-19(24(23-18)20(22)25)17-7-3-5-13-4-1-2-6-16(13)17/h1-11,19H,12H2,(H2,22,25)
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n/an/a 940n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) autophosphorylation after 1 hr


Bioorg Med Chem 21: 1050-63 (2013)


Article DOI: 10.1016/j.bmc.2013.01.013
BindingDB Entry DOI: 10.7270/Q27S7Q3D
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50427225
PNG
(CHEMBL2325101)
Show SMILES Clc1ccc(cc1Cl)C1=NN(C(C1)c1ccc2ccccc2c1)c1ccccc1 |t:9|
Show InChI InChI=1S/C25H18Cl2N2/c26-22-13-12-19(15-23(22)27)24-16-25(29(28-24)21-8-2-1-3-9-21)20-11-10-17-6-4-5-7-18(17)14-20/h1-15,25H,16H2
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n/an/a 1.02E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HER-2 cytoplasmic domain (676 to 1245) autophosphorylation after 1 hr


Bioorg Med Chem 21: 1050-63 (2013)


Article DOI: 10.1016/j.bmc.2013.01.013
BindingDB Entry DOI: 10.7270/Q27S7Q3D
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50427242
PNG
(CHEMBL2324872)
Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1ccc2ccccc2c1)C(N)=S |t:9|
Show InChI InChI=1S/C21H19N3OS/c1-25-18-10-8-15(9-11-18)19-13-20(24(23-19)21(22)26)17-7-6-14-4-2-3-5-16(14)12-17/h2-12,20H,13H2,1H3,(H2,22,26)
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n/an/a 1.04E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) autophosphorylation after 1 hr


Bioorg Med Chem 21: 1050-63 (2013)


Article DOI: 10.1016/j.bmc.2013.01.013
BindingDB Entry DOI: 10.7270/Q27S7Q3D
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50427229
PNG
(CHEMBL2324873)
Show SMILES Cc1ccc(cc1)C1=NN(C(C1)c1ccc2ccccc2c1)C(N)=S |t:8|
Show InChI InChI=1S/C21H19N3S/c1-14-6-8-16(9-7-14)19-13-20(24(23-19)21(22)25)18-11-10-15-4-2-3-5-17(15)12-18/h2-12,20H,13H2,1H3,(H2,22,25)
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n/an/a 1.04E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HER-2 cytoplasmic domain (676 to 1245) autophosphorylation after 1 hr


Bioorg Med Chem 21: 1050-63 (2013)


Article DOI: 10.1016/j.bmc.2013.01.013
BindingDB Entry DOI: 10.7270/Q27S7Q3D
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50427240
PNG
(CHEMBL2325089)
Show SMILES Fc1ccc(cc1)C1=NN(C(C1)c1cccc2ccccc12)c1ccccc1 |t:8|
Show InChI InChI=1S/C25H19FN2/c26-20-15-13-19(14-16-20)24-17-25(28(27-24)21-9-2-1-3-10-21)23-12-6-8-18-7-4-5-11-22(18)23/h1-16,25H,17H2
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n/an/a 1.07E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) autophosphorylation after 1 hr


Bioorg Med Chem 21: 1050-63 (2013)


Article DOI: 10.1016/j.bmc.2013.01.013
BindingDB Entry DOI: 10.7270/Q27S7Q3D
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50427226
PNG
(CHEMBL2325100)
Show SMILES Cc1ccc(cc1)C1=NN(C(C1)c1ccc2ccccc2c1)c1ccccc1 |t:8|
Show InChI InChI=1S/C26H22N2/c1-19-11-13-21(14-12-19)25-18-26(28(27-25)24-9-3-2-4-10-24)23-16-15-20-7-5-6-8-22(20)17-23/h2-17,26H,18H2,1H3
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n/an/a 1.13E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HER-2 cytoplasmic domain (676 to 1245) autophosphorylation after 1 hr


Bioorg Med Chem 21: 1050-63 (2013)


Article DOI: 10.1016/j.bmc.2013.01.013
BindingDB Entry DOI: 10.7270/Q27S7Q3D
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50427243
PNG
(CHEMBL2324871)
Show SMILES NC(=S)N1N=C(CC1c1ccc2ccccc2c1)c1ccc(Br)cc1 |c:4|
Show InChI InChI=1S/C20H16BrN3S/c21-17-9-7-14(8-10-17)18-12-19(24(23-18)20(22)25)16-6-5-13-3-1-2-4-15(13)11-16/h1-11,19H,12H2,(H2,22,25)
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n/an/a 1.21E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HER-2 cytoplasmic domain (676 to 1245) autophosphorylation after 1 hr


Bioorg Med Chem 21: 1050-63 (2013)


Article DOI: 10.1016/j.bmc.2013.01.013
BindingDB Entry DOI: 10.7270/Q27S7Q3D
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50427232
PNG
(CHEMBL2325098)
Show SMILES Brc1ccc(cc1)C1=NN(C(C1)c1ccc2ccccc2c1)c1ccccc1 |t:8|
Show InChI InChI=1S/C25H19BrN2/c26-22-14-12-19(13-15-22)24-17-25(28(27-24)23-8-2-1-3-9-23)21-11-10-18-6-4-5-7-20(18)16-21/h1-16,25H,17H2
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n/an/a 1.28E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HER-2 cytoplasmic domain (676 to 1245) autophosphorylation after 1 hr


Bioorg Med Chem 21: 1050-63 (2013)


Article DOI: 10.1016/j.bmc.2013.01.013
BindingDB Entry DOI: 10.7270/Q27S7Q3D
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50427231
PNG
(CHEMBL2325099)
Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1ccc2ccccc2c1)c1ccccc1 |t:9|
Show InChI InChI=1S/C26H22N2O/c1-29-24-15-13-20(14-16-24)25-18-26(28(27-25)23-9-3-2-4-10-23)22-12-11-19-7-5-6-8-21(19)17-22/h2-17,26H,18H2,1H3
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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 human recombinant HER-2 cytoplasmic domain (676 to 1245) autophosphorylation after 1 hr


Bioorg Med Chem 21: 1050-63 (2013)


Article DOI: 10.1016/j.bmc.2013.01.013
BindingDB Entry DOI: 10.7270/Q27S7Q3D
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50427233
PNG
(CHEMBL2325097)
Show SMILES Clc1ccc(cc1)C1=NN(C(C1)c1ccc2ccccc2c1)c1ccccc1 |t:8|
Show InChI InChI=1S/C25H19ClN2/c26-22-14-12-19(13-15-22)24-17-25(28(27-24)23-8-2-1-3-9-23)21-11-10-18-6-4-5-7-20(18)16-21/h1-16,25H,17H2
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n/an/a 1.46E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HER-2 cytoplasmic domain (676 to 1245) autophosphorylation after 1 hr


Bioorg Med Chem 21: 1050-63 (2013)


Article DOI: 10.1016/j.bmc.2013.01.013
BindingDB Entry DOI: 10.7270/Q27S7Q3D
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50427226
PNG
(CHEMBL2325100)
Show SMILES Cc1ccc(cc1)C1=NN(C(C1)c1ccc2ccccc2c1)c1ccccc1 |t:8|
Show InChI InChI=1S/C26H22N2/c1-19-11-13-21(14-12-19)25-18-26(28(27-25)24-9-3-2-4-10-24)23-16-15-20-7-5-6-8-22(20)17-23/h2-17,26H,18H2,1H3
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n/an/a 1.56E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR-2 (unknown origin) using gastrin as substrate after 1 hr by fluorescence assay


Bioorg Med Chem 21: 1050-63 (2013)


Article DOI: 10.1016/j.bmc.2013.01.013
BindingDB Entry DOI: 10.7270/Q27S7Q3D
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50427245
PNG
(CHEMBL2325110)
Show SMILES NC(=S)N1N=C(CC1c1ccc2ccccc2c1)c1ccc(F)cc1 |c:4|
Show InChI InChI=1S/C20H16FN3S/c21-17-9-7-14(8-10-17)18-12-19(24(23-18)20(22)25)16-6-5-13-3-1-2-4-15(13)11-16/h1-11,19H,12H2,(H2,22,25)
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n/an/a 1.75E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HER-2 cytoplasmic domain (676 to 1245) autophosphorylation after 1 hr


Bioorg Med Chem 21: 1050-63 (2013)


Article DOI: 10.1016/j.bmc.2013.01.013
BindingDB Entry DOI: 10.7270/Q27S7Q3D
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50427225
PNG
(CHEMBL2325101)
Show SMILES Clc1ccc(cc1Cl)C1=NN(C(C1)c1ccc2ccccc2c1)c1ccccc1 |t:9|
Show InChI InChI=1S/C25H18Cl2N2/c26-22-13-12-19(15-23(22)27)24-16-25(29(28-24)21-8-2-1-3-9-21)20-11-10-17-6-4-5-7-18(17)14-20/h1-15,25H,16H2
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n/an/a 1.83E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR-2 (unknown origin) using gastrin as substrate after 1 hr by fluorescence assay


Bioorg Med Chem 21: 1050-63 (2013)


Article DOI: 10.1016/j.bmc.2013.01.013
BindingDB Entry DOI: 10.7270/Q27S7Q3D
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50427235
PNG
(CHEMBL2325095)
Show SMILES C1C(N(N=C1c1ccccc1)c1ccccc1)c1ccc2ccccc2c1 |c:3|
Show InChI InChI=1S/C25H20N2/c1-3-10-20(11-4-1)24-18-25(27(26-24)23-13-5-2-6-14-23)22-16-15-19-9-7-8-12-21(19)17-22/h1-17,25H,18H2
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n/an/a 1.89E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HER-2 cytoplasmic domain (676 to 1245) autophosphorylation after 1 hr


Bioorg Med Chem 21: 1050-63 (2013)


Article DOI: 10.1016/j.bmc.2013.01.013
BindingDB Entry DOI: 10.7270/Q27S7Q3D
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50427237
PNG
(CHEMBL2325093)
Show SMILES Cc1ccc(cc1)C1=NN(C(C1)c1cccc2ccccc12)c1ccccc1 |t:8|
Show InChI InChI=1S/C26H22N2/c1-19-14-16-21(17-15-19)25-18-26(28(27-25)22-10-3-2-4-11-22)24-13-7-9-20-8-5-6-12-23(20)24/h2-17,26H,18H2,1H3
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n/an/a 1.91E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HER-2 cytoplasmic domain (676 to 1245) autophosphorylation after 1 hr


Bioorg Med Chem 21: 1050-63 (2013)


Article DOI: 10.1016/j.bmc.2013.01.013
BindingDB Entry DOI: 10.7270/Q27S7Q3D
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50427236
PNG
(CHEMBL2325094)
Show SMILES Clc1ccc(cc1Cl)C1=NN(C(C1)c1cccc2ccccc12)c1ccccc1 |t:9|
Show InChI InChI=1S/C25H18Cl2N2/c26-22-14-13-18(15-23(22)27)24-16-25(29(28-24)19-9-2-1-3-10-19)21-12-6-8-17-7-4-5-11-20(17)21/h1-15,25H,16H2
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n/an/a 1.98E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HER-2 cytoplasmic domain (676 to 1245) autophosphorylation after 1 hr


Bioorg Med Chem 21: 1050-63 (2013)


Article DOI: 10.1016/j.bmc.2013.01.013
BindingDB Entry DOI: 10.7270/Q27S7Q3D
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50427234
PNG
(CHEMBL2325096)
Show SMILES Fc1ccc(cc1)C1=NN(C(C1)c1ccc2ccccc2c1)c1ccccc1 |t:8|
Show InChI InChI=1S/C25H19FN2/c26-22-14-12-19(13-15-22)24-17-25(28(27-24)23-8-2-1-3-9-23)21-11-10-18-6-4-5-7-20(18)16-21/h1-16,25H,17H2
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n/an/a 2.01E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HER-2 cytoplasmic domain (676 to 1245) autophosphorylation after 1 hr


Bioorg Med Chem 21: 1050-63 (2013)


Article DOI: 10.1016/j.bmc.2013.01.013
BindingDB Entry DOI: 10.7270/Q27S7Q3D
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50427248
PNG
(CHEMBL2325107)
Show SMILES Cc1ccc(cc1)C1=NN(C(C1)c1cccc2ccccc12)C(N)=S |t:8|
Show InChI InChI=1S/C21H19N3S/c1-14-9-11-16(12-10-14)19-13-20(24(23-19)21(22)25)18-8-4-6-15-5-2-3-7-17(15)18/h2-12,20H,13H2,1H3,(H2,22,25)
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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 recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) autophosphorylation after 1 hr


Bioorg Med Chem 21: 1050-63 (2013)


Article DOI: 10.1016/j.bmc.2013.01.013
BindingDB Entry DOI: 10.7270/Q27S7Q3D
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50427229
PNG
(CHEMBL2324873)
Show SMILES Cc1ccc(cc1)C1=NN(C(C1)c1ccc2ccccc2c1)C(N)=S |t:8|
Show InChI InChI=1S/C21H19N3S/c1-14-6-8-16(9-7-14)19-13-20(24(23-19)21(22)25)18-11-10-15-4-2-3-5-17(15)12-18/h2-12,20H,13H2,1H3,(H2,22,25)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR-2 (unknown origin) using gastrin as substrate after 1 hr by fluorescence assay


Bioorg Med Chem 21: 1050-63 (2013)


Article DOI: 10.1016/j.bmc.2013.01.013
BindingDB Entry DOI: 10.7270/Q27S7Q3D
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50427252
PNG
(CHEMBL2325102)
Show SMILES NC(=S)N1N=C(CC1c1cccc2ccccc12)c1ccccc1 |c:4|
Show InChI InChI=1S/C20H17N3S/c21-20(24)23-19(13-18(22-23)15-8-2-1-3-9-15)17-12-6-10-14-7-4-5-11-16(14)17/h1-12,19H,13H2,(H2,21,24)
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n/an/a 2.23E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) autophosphorylation after 1 hr


Bioorg Med Chem 21: 1050-63 (2013)


Article DOI: 10.1016/j.bmc.2013.01.013
BindingDB Entry DOI: 10.7270/Q27S7Q3D
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50427238
PNG
(CHEMBL2325091)
Show SMILES Brc1ccc(cc1)C1=NN(C(C1)c1cccc2ccccc12)c1ccccc1 |t:8|
Show InChI InChI=1S/C25H19BrN2/c26-20-15-13-19(14-16-20)24-17-25(28(27-24)21-9-2-1-3-10-21)23-12-6-8-18-7-4-5-11-22(18)23/h1-16,25H,17H2
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n/an/a 2.32E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HER-2 cytoplasmic domain (676 to 1245) autophosphorylation after 1 hr


Bioorg Med Chem 21: 1050-63 (2013)


Article DOI: 10.1016/j.bmc.2013.01.013
BindingDB Entry DOI: 10.7270/Q27S7Q3D
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50427241
PNG
(CHEMBL2325088)
Show SMILES C1C(N(N=C1c1ccccc1)c1ccccc1)c1cccc2ccccc12 |c:3|
Show InChI InChI=1S/C25H20N2/c1-3-11-20(12-4-1)24-18-25(27(26-24)21-14-5-2-6-15-21)23-17-9-13-19-10-7-8-16-22(19)23/h1-17,25H,18H2
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n/an/a 2.52E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) autophosphorylation after 1 hr


Bioorg Med Chem 21: 1050-63 (2013)


Article DOI: 10.1016/j.bmc.2013.01.013
BindingDB Entry DOI: 10.7270/Q27S7Q3D
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50322009
PNG
(3-(3,4-Dimethylphenyl)-5-(4-methoxyphenyl)-4,5-dih...)
Show SMILES COc1ccc(cc1)C1CC(=NN1C(N)=S)c1ccc(C)c(C)c1 |c:11|
Show InChI InChI=1S/C19H21N3OS/c1-12-4-5-15(10-13(12)2)17-11-18(22(21-17)19(20)24)14-6-8-16(23-3)9-7-14/h4-10,18H,11H2,1-3H3,(H2,20,24)
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n/an/a 2.77E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HER-2 cytoplasmic domain (676 to 1245) autophosphorylation after 1 hr


Bioorg Med Chem 21: 1050-63 (2013)


Article DOI: 10.1016/j.bmc.2013.01.013
BindingDB Entry DOI: 10.7270/Q27S7Q3D
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50427227
PNG
(CHEMBL2325092)
Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1cccc2ccccc12)c1ccccc1 |t:9|
Show InChI InChI=1S/C26H22N2O/c1-29-22-16-14-20(15-17-22)25-18-26(28(27-25)21-10-3-2-4-11-21)24-13-7-9-19-8-5-6-12-23(19)24/h2-17,26H,18H2,1H3
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n/an/a 3.01E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HER-2 cytoplasmic domain (676 to 1245) autophosphorylation after 1 hr


Bioorg Med Chem 21: 1050-63 (2013)


Article DOI: 10.1016/j.bmc.2013.01.013
BindingDB Entry DOI: 10.7270/Q27S7Q3D
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50427246
PNG
(CHEMBL2325109)
Show SMILES NC(=S)N1N=C(CC1c1ccc2ccccc2c1)c1ccccc1 |c:4|
Show InChI InChI=1S/C20H17N3S/c21-20(24)23-19(13-18(22-23)15-7-2-1-3-8-15)17-11-10-14-6-4-5-9-16(14)12-17/h1-12,19H,13H2,(H2,21,24)
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n/an/a 3.01E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) autophosphorylation after 1 hr


Bioorg Med Chem 21: 1050-63 (2013)


Article DOI: 10.1016/j.bmc.2013.01.013
BindingDB Entry DOI: 10.7270/Q27S7Q3D
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50427239
PNG
(CHEMBL2325090)
Show SMILES Clc1ccc(cc1)C1=NN(C(C1)c1cccc2ccccc12)c1ccccc1 |t:8|
Show InChI InChI=1S/C25H19ClN2/c26-20-15-13-19(14-16-20)24-17-25(28(27-24)21-9-2-1-3-10-21)23-12-6-8-18-7-4-5-11-22(18)23/h1-16,25H,17H2
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n/an/a 3.07E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HER-2 cytoplasmic domain (676 to 1245) autophosphorylation after 1 hr


Bioorg Med Chem 21: 1050-63 (2013)


Article DOI: 10.1016/j.bmc.2013.01.013
BindingDB Entry DOI: 10.7270/Q27S7Q3D
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50427228
PNG
(CHEMBL2325087)
Show SMILES NC(=S)N1N=C(CC1c1ccc2ccccc2c1)c1ccc(Cl)c(Cl)c1 |c:4|
Show InChI InChI=1S/C20H15Cl2N3S/c21-16-8-7-14(10-17(16)22)18-11-19(25(24-18)20(23)26)15-6-5-12-3-1-2-4-13(12)9-15/h1-10,19H,11H2,(H2,23,26)
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n/an/a 3.20E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR-2 (unknown origin) using gastrin as substrate after 1 hr by fluorescence assay


Bioorg Med Chem 21: 1050-63 (2013)


Article DOI: 10.1016/j.bmc.2013.01.013
BindingDB Entry DOI: 10.7270/Q27S7Q3D
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50427245
PNG
(CHEMBL2325110)
Show SMILES NC(=S)N1N=C(CC1c1ccc2ccccc2c1)c1ccc(F)cc1 |c:4|
Show InChI InChI=1S/C20H16FN3S/c21-17-9-7-14(8-10-17)18-12-19(24(23-18)20(22)25)16-6-5-13-3-1-2-4-15(13)11-16/h1-11,19H,12H2,(H2,22,25)
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n/an/a 3.28E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) autophosphorylation after 1 hr


Bioorg Med Chem 21: 1050-63 (2013)


Article DOI: 10.1016/j.bmc.2013.01.013
BindingDB Entry DOI: 10.7270/Q27S7Q3D
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50427242
PNG
(CHEMBL2324872)
Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1ccc2ccccc2c1)C(N)=S |t:9|
Show InChI InChI=1S/C21H19N3OS/c1-25-18-10-8-15(9-11-18)19-13-20(24(23-19)21(22)26)17-7-6-14-4-2-3-5-16(14)12-17/h2-12,20H,13H2,1H3,(H2,22,26)
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n/an/a 3.28E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HER-2 cytoplasmic domain (676 to 1245) autophosphorylation after 1 hr


Bioorg Med Chem 21: 1050-63 (2013)


Article DOI: 10.1016/j.bmc.2013.01.013
BindingDB Entry DOI: 10.7270/Q27S7Q3D
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50427227
PNG
(CHEMBL2325092)
Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1cccc2ccccc12)c1ccccc1 |t:9|
Show InChI InChI=1S/C26H22N2O/c1-29-22-16-14-20(15-17-22)25-18-26(28(27-25)21-10-3-2-4-11-21)24-13-7-9-19-8-5-6-12-23(19)24/h2-17,26H,18H2,1H3
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n/an/a 3.40E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR-2 (unknown origin) using gastrin as substrate after 1 hr by fluorescence assay


Bioorg Med Chem 21: 1050-63 (2013)


Article DOI: 10.1016/j.bmc.2013.01.013
BindingDB Entry DOI: 10.7270/Q27S7Q3D
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50427240
PNG
(CHEMBL2325089)
Show SMILES Fc1ccc(cc1)C1=NN(C(C1)c1cccc2ccccc12)c1ccccc1 |t:8|
Show InChI InChI=1S/C25H19FN2/c26-20-15-13-19(14-16-20)24-17-25(28(27-24)21-9-2-1-3-10-21)23-12-6-8-18-7-4-5-11-22(18)23/h1-16,25H,17H2
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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 HER-2 cytoplasmic domain (676 to 1245) autophosphorylation after 1 hr


Bioorg Med Chem 21: 1050-63 (2013)


Article DOI: 10.1016/j.bmc.2013.01.013
BindingDB Entry DOI: 10.7270/Q27S7Q3D
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50427241
PNG
(CHEMBL2325088)
Show SMILES C1C(N(N=C1c1ccccc1)c1ccccc1)c1cccc2ccccc12 |c:3|
Show InChI InChI=1S/C25H20N2/c1-3-11-20(12-4-1)24-18-25(27(26-24)21-14-5-2-6-15-21)23-17-9-13-19-10-7-8-16-22(19)23/h1-17,25H,18H2
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n/an/a 3.83E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HER-2 cytoplasmic domain (676 to 1245) autophosphorylation after 1 hr


Bioorg Med Chem 21: 1050-63 (2013)


Article DOI: 10.1016/j.bmc.2013.01.013
BindingDB Entry DOI: 10.7270/Q27S7Q3D
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50427244
PNG
(CHEMBL2324870)
Show SMILES NC(=S)N1N=C(CC1c1ccc2ccccc2c1)c1ccc(Cl)cc1 |c:4|
Show InChI InChI=1S/C20H16ClN3S/c21-17-9-7-14(8-10-17)18-12-19(24(23-18)20(22)25)16-6-5-13-3-1-2-4-15(13)11-16/h1-11,19H,12H2,(H2,22,25)
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n/an/a 3.87E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HER-2 cytoplasmic domain (676 to 1245) autophosphorylation after 1 hr


Bioorg Med Chem 21: 1050-63 (2013)


Article DOI: 10.1016/j.bmc.2013.01.013
BindingDB Entry DOI: 10.7270/Q27S7Q3D
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50427230
PNG
(CHEMBL2325106)
Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1cccc2ccccc12)C(N)=S |t:9|
Show InChI InChI=1S/C21H19N3OS/c1-25-16-11-9-15(10-12-16)19-13-20(24(23-19)21(22)26)18-8-4-6-14-5-2-3-7-17(14)18/h2-12,20H,13H2,1H3,(H2,22,26)
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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 VEGFR-2 (unknown origin) using gastrin as substrate after 1 hr by fluorescence assay


Bioorg Med Chem 21: 1050-63 (2013)


Article DOI: 10.1016/j.bmc.2013.01.013
BindingDB Entry DOI: 10.7270/Q27S7Q3D
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50427230
PNG
(CHEMBL2325106)
Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1cccc2ccccc12)C(N)=S |t:9|
Show InChI InChI=1S/C21H19N3OS/c1-25-16-11-9-15(10-12-16)19-13-20(24(23-19)21(22)26)18-8-4-6-14-5-2-3-7-17(14)18/h2-12,20H,13H2,1H3,(H2,22,26)
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n/an/a 4.18E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HER-2 cytoplasmic domain (676 to 1245) autophosphorylation after 1 hr


Bioorg Med Chem 21: 1050-63 (2013)


Article DOI: 10.1016/j.bmc.2013.01.013
BindingDB Entry DOI: 10.7270/Q27S7Q3D
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50427250
PNG
(CHEMBL2325104)
Show SMILES NC(=S)N1N=C(CC1c1cccc2ccccc12)c1ccc(Cl)cc1 |c:4|
Show InChI InChI=1S/C20H16ClN3S/c21-15-10-8-14(9-11-15)18-12-19(24(23-18)20(22)25)17-7-3-5-13-4-1-2-6-16(13)17/h1-11,19H,12H2,(H2,22,25)
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n/an/a 5.46E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HER-2 cytoplasmic domain (676 to 1245) autophosphorylation after 1 hr


Bioorg Med Chem 21: 1050-63 (2013)


Article DOI: 10.1016/j.bmc.2013.01.013
BindingDB Entry DOI: 10.7270/Q27S7Q3D
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50427249
PNG
(CHEMBL2325105)
Show SMILES NC(=S)N1N=C(CC1c1cccc2ccccc12)c1ccc(Br)cc1 |c:4|
Show InChI InChI=1S/C20H16BrN3S/c21-15-10-8-14(9-11-15)18-12-19(24(23-18)20(22)25)17-7-3-5-13-4-1-2-6-16(13)17/h1-11,19H,12H2,(H2,22,25)
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n/an/a 5.68E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) autophosphorylation after 1 hr


Bioorg Med Chem 21: 1050-63 (2013)


Article DOI: 10.1016/j.bmc.2013.01.013
BindingDB Entry DOI: 10.7270/Q27S7Q3D
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50427246
PNG
(CHEMBL2325109)
Show SMILES NC(=S)N1N=C(CC1c1ccc2ccccc2c1)c1ccccc1 |c:4|
Show InChI InChI=1S/C20H17N3S/c21-20(24)23-19(13-18(22-23)15-7-2-1-3-8-15)17-11-10-14-6-4-5-9-16(14)12-17/h1-12,19H,13H2,(H2,21,24)
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n/an/a 5.69E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HER-2 cytoplasmic domain (676 to 1245) autophosphorylation after 1 hr


Bioorg Med Chem 21: 1050-63 (2013)


Article DOI: 10.1016/j.bmc.2013.01.013
BindingDB Entry DOI: 10.7270/Q27S7Q3D
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50427225
PNG
(CHEMBL2325101)
Show SMILES Clc1ccc(cc1Cl)C1=NN(C(C1)c1ccc2ccccc2c1)c1ccccc1 |t:9|
Show InChI InChI=1S/C25H18Cl2N2/c26-22-13-12-19(15-23(22)27)24-16-25(29(28-24)21-8-2-1-3-9-21)20-11-10-17-6-4-5-7-18(17)14-20/h1-15,25H,16H2
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n/an/a 6.20E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human-recombinant full-length FAK after 4 hrs by kinase-Glo-luminescence assay


Bioorg Med Chem 21: 1050-63 (2013)


Article DOI: 10.1016/j.bmc.2013.01.013
BindingDB Entry DOI: 10.7270/Q27S7Q3D
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50321998
PNG
(3-(3,4-Dichlorophenyl)-5-(4-hydroxyphenyl)-4,5-dih...)
Show SMILES NC(=S)N1N=C(CC1c1ccc(O)cc1)c1ccc(Cl)c(Cl)c1 |c:4|
Show InChI InChI=1S/C16H13Cl2N3OS/c17-12-6-3-10(7-13(12)18)14-8-15(21(20-14)16(19)23)9-1-4-11(22)5-2-9/h1-7,15,22H,8H2,(H2,19,23)
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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 human recombinant HER-2 cytoplasmic domain (676 to 1245) autophosphorylation after 1 hr


Bioorg Med Chem 21: 1050-63 (2013)


Article DOI: 10.1016/j.bmc.2013.01.013
BindingDB Entry DOI: 10.7270/Q27S7Q3D
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50427248
PNG
(CHEMBL2325107)
Show SMILES Cc1ccc(cc1)C1=NN(C(C1)c1cccc2ccccc12)C(N)=S |t:8|
Show InChI InChI=1S/C21H19N3S/c1-14-9-11-16(12-10-14)19-13-20(24(23-19)21(22)25)18-8-4-6-15-5-2-3-7-17(15)18/h2-12,20H,13H2,1H3,(H2,22,25)
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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 human recombinant HER-2 cytoplasmic domain (676 to 1245) autophosphorylation after 1 hr


Bioorg Med Chem 21: 1050-63 (2013)


Article DOI: 10.1016/j.bmc.2013.01.013
BindingDB Entry DOI: 10.7270/Q27S7Q3D
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50427247
PNG
(CHEMBL2325108)
Show SMILES NC(=S)N1N=C(CC1c1cccc2ccccc12)c1ccc(Cl)c(Cl)c1 |c:4|
Show InChI InChI=1S/C20H15Cl2N3S/c21-16-9-8-13(10-17(16)22)18-11-19(25(24-18)20(23)26)15-7-3-5-12-4-1-2-6-14(12)15/h1-10,19H,11H2,(H2,23,26)
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n/an/a 6.84E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HER-2 cytoplasmic domain (676 to 1245) autophosphorylation after 1 hr


Bioorg Med Chem 21: 1050-63 (2013)


Article DOI: 10.1016/j.bmc.2013.01.013
BindingDB Entry DOI: 10.7270/Q27S7Q3D
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50427252
PNG
(CHEMBL2325102)
Show SMILES NC(=S)N1N=C(CC1c1cccc2ccccc12)c1ccccc1 |c:4|
Show InChI InChI=1S/C20H17N3S/c21-20(24)23-19(13-18(22-23)15-8-2-1-3-9-15)17-12-6-10-14-7-4-5-11-16(14)17/h1-12,19H,13H2,(H2,21,24)
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n/an/a 7.24E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HER-2 cytoplasmic domain (676 to 1245) autophosphorylation after 1 hr


Bioorg Med Chem 21: 1050-63 (2013)


Article DOI: 10.1016/j.bmc.2013.01.013
BindingDB Entry DOI: 10.7270/Q27S7Q3D
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50427251
PNG
(CHEMBL2325103)
Show SMILES NC(=S)N1N=C(CC1c1cccc2ccccc12)c1ccc(F)cc1 |c:4|
Show InChI InChI=1S/C20H16FN3S/c21-15-10-8-14(9-11-15)18-12-19(24(23-18)20(22)25)17-7-3-5-13-4-1-2-6-16(13)17/h1-11,19H,12H2,(H2,22,25)
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n/an/a 8.25E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) autophosphorylation after 1 hr


Bioorg Med Chem 21: 1050-63 (2013)


Article DOI: 10.1016/j.bmc.2013.01.013
BindingDB Entry DOI: 10.7270/Q27S7Q3D
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50427249
PNG
(CHEMBL2325105)
Show SMILES NC(=S)N1N=C(CC1c1cccc2ccccc12)c1ccc(Br)cc1 |c:4|
Show InChI InChI=1S/C20H16BrN3S/c21-15-10-8-14(9-11-15)18-12-19(24(23-18)20(22)25)17-7-3-5-13-4-1-2-6-16(13)17/h1-11,19H,12H2,(H2,22,25)
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n/an/a 9.15E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HER-2 cytoplasmic domain (676 to 1245) autophosphorylation after 1 hr


Bioorg Med Chem 21: 1050-63 (2013)


Article DOI: 10.1016/j.bmc.2013.01.013
BindingDB Entry DOI: 10.7270/Q27S7Q3D
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50427228
PNG
(CHEMBL2325087)
Show SMILES NC(=S)N1N=C(CC1c1ccc2ccccc2c1)c1ccc(Cl)c(Cl)c1 |c:4|
Show InChI InChI=1S/C20H15Cl2N3S/c21-16-8-7-14(10-17(16)22)18-11-19(25(24-18)20(23)26)15-6-5-12-3-1-2-4-13(12)9-15/h1-10,19H,11H2,(H2,23,26)
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n/an/a 9.90E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human-recombinant full-length FAK after 4 hrs by kinase-Glo-luminescence assay


Bioorg Med Chem 21: 1050-63 (2013)


Article DOI: 10.1016/j.bmc.2013.01.013
BindingDB Entry DOI: 10.7270/Q27S7Q3D
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50427227
PNG
(CHEMBL2325092)
Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1cccc2ccccc12)c1ccccc1 |t:9|
Show InChI InChI=1S/C26H22N2O/c1-29-22-16-14-20(15-17-22)25-18-26(28(27-25)21-10-3-2-4-11-21)24-13-7-9-19-8-5-6-12-23(19)24/h2-17,26H,18H2,1H3
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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 full-length FAK after 4 hrs by kinase-Glo-luminescence assay


Bioorg Med Chem 21: 1050-63 (2013)


Article DOI: 10.1016/j.bmc.2013.01.013
BindingDB Entry DOI: 10.7270/Q27S7Q3D
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50427251
PNG
(CHEMBL2325103)
Show SMILES NC(=S)N1N=C(CC1c1cccc2ccccc12)c1ccc(F)cc1 |c:4|
Show InChI InChI=1S/C20H16FN3S/c21-15-10-8-14(9-11-15)18-12-19(24(23-18)20(22)25)17-7-3-5-13-4-1-2-6-16(13)17/h1-11,19H,12H2,(H2,22,25)
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n/an/a 1.06E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HER-2 cytoplasmic domain (676 to 1245) autophosphorylation after 1 hr


Bioorg Med Chem 21: 1050-63 (2013)


Article DOI: 10.1016/j.bmc.2013.01.013
BindingDB Entry DOI: 10.7270/Q27S7Q3D
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50427226
PNG
(CHEMBL2325100)
Show SMILES Cc1ccc(cc1)C1=NN(C(C1)c1ccc2ccccc2c1)c1ccccc1 |t:8|
Show InChI InChI=1S/C26H22N2/c1-19-11-13-21(14-12-19)25-18-26(28(27-25)24-9-3-2-4-10-24)23-16-15-20-7-5-6-8-22(20)17-23/h2-17,26H,18H2,1H3
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n/an/a 1.15E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human-recombinant full-length FAK after 4 hrs by kinase-Glo-luminescence assay


Bioorg Med Chem 21: 1050-63 (2013)


Article DOI: 10.1016/j.bmc.2013.01.013
BindingDB Entry DOI: 10.7270/Q27S7Q3D
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50427230
PNG
(CHEMBL2325106)
Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1cccc2ccccc12)C(N)=S |t:9|
Show InChI InChI=1S/C21H19N3OS/c1-25-16-11-9-15(10-12-16)19-13-20(24(23-19)21(22)26)18-8-4-6-14-5-2-3-7-17(14)18/h2-12,20H,13H2,1H3,(H2,22,26)
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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 full-length FAK after 4 hrs by kinase-Glo-luminescence assay


Bioorg Med Chem 21: 1050-63 (2013)


Article DOI: 10.1016/j.bmc.2013.01.013
BindingDB Entry DOI: 10.7270/Q27S7Q3D
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50427229
PNG
(CHEMBL2324873)
Show SMILES Cc1ccc(cc1)C1=NN(C(C1)c1ccc2ccccc2c1)C(N)=S |t:8|
Show InChI InChI=1S/C21H19N3S/c1-14-6-8-16(9-7-14)19-13-20(24(23-19)21(22)25)18-11-10-15-4-2-3-5-17(15)12-18/h2-12,20H,13H2,1H3,(H2,22,25)
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n/an/a 2.87E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human-recombinant full-length FAK after 4 hrs by kinase-Glo-luminescence assay


Bioorg Med Chem 21: 1050-63 (2013)


Article DOI: 10.1016/j.bmc.2013.01.013
BindingDB Entry DOI: 10.7270/Q27S7Q3D
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50427225
PNG
(CHEMBL2325101)
Show SMILES Clc1ccc(cc1Cl)C1=NN(C(C1)c1ccc2ccccc2c1)c1ccccc1 |t:9|
Show InChI InChI=1S/C25H18Cl2N2/c26-22-13-12-19(15-23(22)27)24-16-25(29(28-24)21-8-2-1-3-9-21)20-11-10-17-6-4-5-7-18(17)14-20/h1-15,25H,16H2
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n/an/a 3.59E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HER-3 cytoplasmic domain (665 to 1339) autophosphorylation after 1 hr


Bioorg Med Chem 21: 1050-63 (2013)


Article DOI: 10.1016/j.bmc.2013.01.013
BindingDB Entry DOI: 10.7270/Q27S7Q3D
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50427227
PNG
(CHEMBL2325092)
Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1cccc2ccccc12)c1ccccc1 |t:9|
Show InChI InChI=1S/C26H22N2O/c1-29-22-16-14-20(15-17-22)25-18-26(28(27-25)21-10-3-2-4-11-21)24-13-7-9-19-8-5-6-12-23(19)24/h2-17,26H,18H2,1H3
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n/an/a 4.02E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HER-3 cytoplasmic domain (665 to 1339) autophosphorylation after 1 hr


Bioorg Med Chem 21: 1050-63 (2013)


Article DOI: 10.1016/j.bmc.2013.01.013
BindingDB Entry DOI: 10.7270/Q27S7Q3D
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50427226
PNG
(CHEMBL2325100)
Show SMILES Cc1ccc(cc1)C1=NN(C(C1)c1ccc2ccccc2c1)c1ccccc1 |t:8|
Show InChI InChI=1S/C26H22N2/c1-19-11-13-21(14-12-19)25-18-26(28(27-25)24-9-3-2-4-10-24)23-16-15-20-7-5-6-8-22(20)17-23/h2-17,26H,18H2,1H3
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n/an/a 4.53E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HER-3 cytoplasmic domain (665 to 1339) autophosphorylation after 1 hr


Bioorg Med Chem 21: 1050-63 (2013)


Article DOI: 10.1016/j.bmc.2013.01.013
BindingDB Entry DOI: 10.7270/Q27S7Q3D
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50427228
PNG
(CHEMBL2325087)
Show SMILES NC(=S)N1N=C(CC1c1ccc2ccccc2c1)c1ccc(Cl)c(Cl)c1 |c:4|
Show InChI InChI=1S/C20H15Cl2N3S/c21-16-8-7-14(10-17(16)22)18-11-19(25(24-18)20(23)26)15-6-5-12-3-1-2-4-13(12)9-15/h1-10,19H,11H2,(H2,23,26)
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n/an/a 5.17E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HER-3 cytoplasmic domain (665 to 1339) autophosphorylation after 1 hr


Bioorg Med Chem 21: 1050-63 (2013)


Article DOI: 10.1016/j.bmc.2013.01.013
BindingDB Entry DOI: 10.7270/Q27S7Q3D
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50427230
PNG
(CHEMBL2325106)
Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1cccc2ccccc12)C(N)=S |t:9|
Show InChI InChI=1S/C21H19N3OS/c1-25-16-11-9-15(10-12-16)19-13-20(24(23-19)21(22)26)18-8-4-6-14-5-2-3-7-17(14)18/h2-12,20H,13H2,1H3,(H2,22,26)
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n/an/a 5.56E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HER-3 cytoplasmic domain (665 to 1339) autophosphorylation after 1 hr


Bioorg Med Chem 21: 1050-63 (2013)


Article DOI: 10.1016/j.bmc.2013.01.013
BindingDB Entry DOI: 10.7270/Q27S7Q3D
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50427229
PNG
(CHEMBL2324873)
Show SMILES Cc1ccc(cc1)C1=NN(C(C1)c1ccc2ccccc2c1)C(N)=S |t:8|
Show InChI InChI=1S/C21H19N3S/c1-14-6-8-16(9-7-14)19-13-20(24(23-19)21(22)25)18-11-10-15-4-2-3-5-17(15)12-18/h2-12,20H,13H2,1H3,(H2,22,25)
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n/an/a 6.32E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HER-3 cytoplasmic domain (665 to 1339) autophosphorylation after 1 hr


Bioorg Med Chem 21: 1050-63 (2013)


Article DOI: 10.1016/j.bmc.2013.01.013
BindingDB Entry DOI: 10.7270/Q27S7Q3D
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%