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PubMed code 18343125

Compile data set for download or QSAR
Found 9 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
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50162160
PNG
(1-(2,4-Difluoro-phenyl)-3-[4-(6,7-dimethoxy-quinol...)
Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(F)cc4F)cc3F)c2cc1OC
Show InChI InChI=1S/C24H18F3N3O4/c1-32-22-11-15-19(12-23(22)33-2)28-8-7-20(15)34-21-6-4-14(10-17(21)27)29-24(31)30-18-5-3-13(25)9-16(18)26/h3-12H,1-2H3,(H2,29,30,31)
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PubMed
n/an/a>500n/an/an/an/an/an/a



Hadassah Hebrew University Hospital

Curated by ChEMBL


Assay Description
Inhibition of Her2 expressed in CSH12 cells by western blot analysis


Bioorg Med Chem 16: 4242-51 (2008)


Article DOI: 10.1016/j.bmc.2008.02.081
BindingDB Entry DOI: 10.7270/Q2B85903
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50376366
PNG
(CHEMBL259395)
Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccccc4F)cc3F)c2cc1OC
Show InChI InChI=1S/C24H19F2N3O4/c1-31-22-12-15-19(13-23(22)32-2)27-10-9-20(15)33-21-8-7-14(11-17(21)26)28-24(30)29-18-6-4-3-5-16(18)25/h3-13H,1-2H3,(H2,28,29,30)
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n/an/a>500n/an/an/an/an/an/a



Hadassah Hebrew University Hospital

Curated by ChEMBL


Assay Description
Inhibition of EGFR expressed in DHER14 cells by western blot analysis


Bioorg Med Chem 16: 4242-51 (2008)


Article DOI: 10.1016/j.bmc.2008.02.081
BindingDB Entry DOI: 10.7270/Q2B85903
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50376365
PNG
(CHEMBL259394)
Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(F)cc4)cc3F)c2cc1OC
Show InChI InChI=1S/C24H19F2N3O4/c1-31-22-12-17-19(13-23(22)32-2)27-10-9-20(17)33-21-8-7-16(11-18(21)26)29-24(30)28-15-5-3-14(25)4-6-15/h3-13H,1-2H3,(H2,28,29,30)
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n/an/a>500n/an/an/an/an/an/a



Hadassah Hebrew University Hospital

Curated by ChEMBL


Assay Description
Inhibition of EGFR expressed in DHER14 cells by western blot analysis


Bioorg Med Chem 16: 4242-51 (2008)


Article DOI: 10.1016/j.bmc.2008.02.081
BindingDB Entry DOI: 10.7270/Q2B85903
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50162160
PNG
(1-(2,4-Difluoro-phenyl)-3-[4-(6,7-dimethoxy-quinol...)
Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(F)cc4F)cc3F)c2cc1OC
Show InChI InChI=1S/C24H18F3N3O4/c1-32-22-11-15-19(12-23(22)33-2)28-8-7-20(15)34-21-6-4-14(10-17(21)27)29-24(31)30-18-5-3-13(25)9-16(18)26/h3-12H,1-2H3,(H2,29,30,31)
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n/an/a>500n/an/an/an/an/an/a



Hadassah Hebrew University Hospital

Curated by ChEMBL


Assay Description
Inhibition of EGFR expressed in DHER14 cells by western blot analysis


Bioorg Med Chem 16: 4242-51 (2008)


Article DOI: 10.1016/j.bmc.2008.02.081
BindingDB Entry DOI: 10.7270/Q2B85903
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50376365
PNG
(CHEMBL259394)
Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(F)cc4)cc3F)c2cc1OC
Show InChI InChI=1S/C24H19F2N3O4/c1-31-22-12-17-19(13-23(22)32-2)27-10-9-20(17)33-21-8-7-16(11-18(21)26)29-24(30)28-15-5-3-14(25)4-6-15/h3-13H,1-2H3,(H2,28,29,30)
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n/an/a>500n/an/an/an/an/an/a



Hadassah Hebrew University Hospital

Curated by ChEMBL


Assay Description
Inhibition of Her2 expressed in CSH12 cells by western blot analysis


Bioorg Med Chem 16: 4242-51 (2008)


Article DOI: 10.1016/j.bmc.2008.02.081
BindingDB Entry DOI: 10.7270/Q2B85903
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50376366
PNG
(CHEMBL259395)
Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccccc4F)cc3F)c2cc1OC
Show InChI InChI=1S/C24H19F2N3O4/c1-31-22-12-15-19(13-23(22)32-2)27-10-9-20(15)33-21-8-7-14(11-17(21)26)28-24(30)29-18-6-4-3-5-16(18)25/h3-13H,1-2H3,(H2,28,29,30)
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PubMed
n/an/a>500n/an/an/an/an/an/a



Hadassah Hebrew University Hospital

Curated by ChEMBL


Assay Description
Inhibition of Her2 expressed in CSH12 cells by western blot analysis


Bioorg Med Chem 16: 4242-51 (2008)


Article DOI: 10.1016/j.bmc.2008.02.081
BindingDB Entry DOI: 10.7270/Q2B85903
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM50376366
PNG
(CHEMBL259395)
Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccccc4F)cc3F)c2cc1OC
Show InChI InChI=1S/C24H19F2N3O4/c1-31-22-12-15-19(13-23(22)32-2)27-10-9-20(15)33-21-8-7-14(11-17(21)26)28-24(30)29-18-6-4-3-5-16(18)25/h3-13H,1-2H3,(H2,28,29,30)
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n/an/a>2.00E+3n/an/an/an/an/an/a



Hadassah Hebrew University Hospital

Curated by ChEMBL


Assay Description
Inhibition of IGF1R by ELISA


Bioorg Med Chem 16: 4242-51 (2008)


Article DOI: 10.1016/j.bmc.2008.02.081
BindingDB Entry DOI: 10.7270/Q2B85903
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM50162160
PNG
(1-(2,4-Difluoro-phenyl)-3-[4-(6,7-dimethoxy-quinol...)
Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(F)cc4F)cc3F)c2cc1OC
Show InChI InChI=1S/C24H18F3N3O4/c1-32-22-11-15-19(12-23(22)33-2)28-8-7-20(15)34-21-6-4-14(10-17(21)27)29-24(31)30-18-5-3-13(25)9-16(18)26/h3-12H,1-2H3,(H2,29,30,31)
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n/an/a>2.00E+3n/an/an/an/an/an/a



Hadassah Hebrew University Hospital

Curated by ChEMBL


Assay Description
Inhibition of IGF1R by ELISA


Bioorg Med Chem 16: 4242-51 (2008)


Article DOI: 10.1016/j.bmc.2008.02.081
BindingDB Entry DOI: 10.7270/Q2B85903
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM50376365
PNG
(CHEMBL259394)
Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(F)cc4)cc3F)c2cc1OC
Show InChI InChI=1S/C24H19F2N3O4/c1-31-22-12-17-19(13-23(22)32-2)27-10-9-20(17)33-21-8-7-16(11-18(21)26)29-24(30)28-15-5-3-14(25)4-6-15/h3-13H,1-2H3,(H2,28,29,30)
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n/an/a>2.00E+3n/an/an/an/an/an/a



Hadassah Hebrew University Hospital

Curated by ChEMBL


Assay Description
Inhibition of IGF1R by ELISA


Bioorg Med Chem 16: 4242-51 (2008)


Article DOI: 10.1016/j.bmc.2008.02.081
BindingDB Entry DOI: 10.7270/Q2B85903
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%