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PubMed code 15993060

Compile data set for download or QSAR
Found 10 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))
BDBM50169697
PNG
(CHEMBL182254 | [3-Chloro-4-(3-fluoro-benzyloxy)-ph...)
Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4nn5ccccc5c34)cc2Cl)c1
Show InChI InChI=1S/C22H15ClFN5O/c23-17-11-16(7-8-19(17)30-12-14-4-3-5-15(24)10-14)27-21-20-18-6-1-2-9-29(18)28-22(20)26-13-25-21/h1-11,13H,12H2,(H,25,26,27,28)
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PubMed
n/an/a 32n/an/an/an/a7.5n/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against EGFR by using [gamma-33P]-ATP as radioligand in pH 7.5


Bioorg Med Chem Lett 15: 3778-81 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.100
BindingDB Entry DOI: 10.7270/Q2P84BDM
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50169696
PNG
((4-Benzyloxy-3-chloro-phenyl)-(1,3,8a,9-tetraaza-f...)
Show SMILES Clc1cc(Nc2ncnc3nn4ccccc4c23)ccc1OCc1ccccc1
Show InChI InChI=1S/C22H16ClN5O/c23-17-12-16(9-10-19(17)29-13-15-6-2-1-3-7-15)26-21-20-18-8-4-5-11-28(18)27-22(20)25-14-24-21/h1-12,14H,13H2,(H,24,25,26,27)
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PubMed
n/an/a 50n/an/an/an/a7.5n/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against EGFR by using [gamma-33P]-ATP as radioligand in pH 7.5


Bioorg Med Chem Lett 15: 3778-81 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.100
BindingDB Entry DOI: 10.7270/Q2P84BDM
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50169697
PNG
(CHEMBL182254 | [3-Chloro-4-(3-fluoro-benzyloxy)-ph...)
Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4nn5ccccc5c34)cc2Cl)c1
Show InChI InChI=1S/C22H15ClFN5O/c23-17-11-16(7-8-19(17)30-12-14-4-3-5-15(24)10-14)27-21-20-18-6-1-2-9-29(18)28-22(20)26-13-25-21/h1-11,13H,12H2,(H,25,26,27,28)
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PubMed
n/an/a>63n/an/an/an/a7.5n/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against ErbB-2 protein tyrosine kinase by using [gamma-33P]-ATP as radioligand in pH 7.5


Bioorg Med Chem Lett 15: 3778-81 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.100
BindingDB Entry DOI: 10.7270/Q2P84BDM
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50169696
PNG
((4-Benzyloxy-3-chloro-phenyl)-(1,3,8a,9-tetraaza-f...)
Show SMILES Clc1cc(Nc2ncnc3nn4ccccc4c23)ccc1OCc1ccccc1
Show InChI InChI=1S/C22H16ClN5O/c23-17-12-16(9-10-19(17)29-13-15-6-2-1-3-7-15)26-21-20-18-8-4-5-11-28(18)27-22(20)25-14-24-21/h1-12,14H,13H2,(H,24,25,26,27)
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Article
PubMed
n/an/a 200n/an/an/an/a7.5n/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against ErbB-2 protein tyrosine kinase by using [gamma-33P]-ATP as radioligand in pH 7.5


Bioorg Med Chem Lett 15: 3778-81 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.100
BindingDB Entry DOI: 10.7270/Q2P84BDM
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50169701
PNG
((3-Chloro-4-fluoro-phenyl)-(1,3,8a,9-tetraaza-fluo...)
Show SMILES Fc1ccc(Nc2ncnc3nn4ccccc4c23)cc1Cl
Show InChI InChI=1S/C15H9ClFN5/c16-10-7-9(4-5-11(10)17)20-14-13-12-3-1-2-6-22(12)21-15(13)19-8-18-14/h1-8H,(H,18,19,20,21)
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PubMed
n/an/a 200n/an/an/an/a7.5n/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against EGFR by using [gamma-33P]-ATP as radioligand in pH 7.5


Bioorg Med Chem Lett 15: 3778-81 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.100
BindingDB Entry DOI: 10.7270/Q2P84BDM
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50169699
PNG
((2-Benzyl-1H-benzoimidazol-5-yl)-(1,3,8a,9-tetraaz...)
Show SMILES C(c1nc2ccc(Nc3ncnc4nn5ccccc5c34)cc2[nH]1)c1ccccc1
Show InChI InChI=1S/C23H17N7/c1-2-6-15(7-3-1)12-20-27-17-10-9-16(13-18(17)28-20)26-22-21-19-8-4-5-11-30(19)29-23(21)25-14-24-22/h1-11,13-14H,12H2,(H,27,28)(H,24,25,26,29)
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PubMed
n/an/a 1.58E+3n/an/an/an/a7.5n/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against ErbB-2 protein tyrosine kinase by using [gamma-33P]-ATP as radioligand in pH 7.5


Bioorg Med Chem Lett 15: 3778-81 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.100
BindingDB Entry DOI: 10.7270/Q2P84BDM
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50169699
PNG
((2-Benzyl-1H-benzoimidazol-5-yl)-(1,3,8a,9-tetraaz...)
Show SMILES C(c1nc2ccc(Nc3ncnc4nn5ccccc5c34)cc2[nH]1)c1ccccc1
Show InChI InChI=1S/C23H17N7/c1-2-6-15(7-3-1)12-20-27-17-10-9-16(13-18(17)28-20)26-22-21-19-8-4-5-11-30(19)29-23(21)25-14-24-22/h1-11,13-14H,12H2,(H,27,28)(H,24,25,26,29)
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PubMed
n/an/a 5.01E+3n/an/an/an/a7.5n/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against EGFR by using [gamma-33P]-ATP as radioligand in pH 7.5


Bioorg Med Chem Lett 15: 3778-81 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.100
BindingDB Entry DOI: 10.7270/Q2P84BDM
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50169694
PNG
(1,3,8a,9-Tetraaza-fluoren-4-ylamine | CHEMBL368891)
Show SMILES Nc1ncnc2nn3ccccc3c12
Show InChI InChI=1S/C9H7N5/c10-8-7-6-3-1-2-4-14(6)13-9(7)12-5-11-8/h1-5H,(H2,10,11,12,13)
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PubMed
n/an/a>1.00E+4n/an/an/an/a7.5n/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against ErbB-2 protein tyrosine kinase by using [gamma-33P]-ATP as radioligand in pH 7.5


Bioorg Med Chem Lett 15: 3778-81 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.100
BindingDB Entry DOI: 10.7270/Q2P84BDM
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50169701
PNG
((3-Chloro-4-fluoro-phenyl)-(1,3,8a,9-tetraaza-fluo...)
Show SMILES Fc1ccc(Nc2ncnc3nn4ccccc4c23)cc1Cl
Show InChI InChI=1S/C15H9ClFN5/c16-10-7-9(4-5-11(10)17)20-14-13-12-3-1-2-6-22(12)21-15(13)19-8-18-14/h1-8H,(H,18,19,20,21)
PDB
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Article
PubMed
n/an/a>1.00E+4n/an/an/an/a7.5n/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against ErbB-2 protein tyrosine kinase by using [gamma-33P]-ATP as radioligand in pH 7.5


Bioorg Med Chem Lett 15: 3778-81 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.100
BindingDB Entry DOI: 10.7270/Q2P84BDM
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50169694
PNG
(1,3,8a,9-Tetraaza-fluoren-4-ylamine | CHEMBL368891)
Show SMILES Nc1ncnc2nn3ccccc3c12
Show InChI InChI=1S/C9H7N5/c10-8-7-6-3-1-2-4-14(6)13-9(7)12-5-11-8/h1-5H,(H2,10,11,12,13)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a>1.00E+4n/an/an/an/a7.5n/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against EGFR by using [gamma-33P]-ATP as radioligand in pH 7.5


Bioorg Med Chem Lett 15: 3778-81 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.100
BindingDB Entry DOI: 10.7270/Q2P84BDM
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%