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PubMed code 17154492

Compile data set for download or QSAR
Found 5 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))
BDBM3032
PNG
(CHEMBL1204168 | CHEMBL29197 | N-(3-bromophenyl)-6,...)
Show SMILES COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OC
Show InChI InChI=1S/C16H14BrN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)
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Article
PubMed
n/an/a 28n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of EGFR tyrosine kinase activity


J Med Chem 49: 6642-5 (2006)


Article DOI: 10.1021/jm0608762
BindingDB Entry DOI: 10.7270/Q28P605H
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4567
PNG
(4-anilinoquinazoline deriv. 2 | BMC163482 Compound...)
Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)c1
Show InChI InChI=1S/C17H13BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h2-10H,1H2,(H,21,23)(H,19,20,22)
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Article
PubMed
n/an/a 36n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of EGFR tyrosine kinase activity


J Med Chem 49: 6642-5 (2006)


Article DOI: 10.1021/jm0608762
BindingDB Entry DOI: 10.7270/Q28P605H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50200279
PNG
(CHEMBL217536 | N-(4-(3-bromophenylamino)quinazolin...)
Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)C4CCSS4)cc23)c1
Show InChI InChI=1S/C18H15BrN4OS2/c19-11-2-1-3-12(8-11)22-17-14-9-13(4-5-15(14)20-10-21-17)23-18(24)16-6-7-25-26-16/h1-5,8-10,16H,6-7H2,(H,23,24)(H,20,21,22)
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Article
PubMed
n/an/a 60n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of EGFR tyrosine kinase activity


J Med Chem 49: 6642-5 (2006)


Article DOI: 10.1021/jm0608762
BindingDB Entry DOI: 10.7270/Q28P605H
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50200280
PNG
(CHEMBL217825 | N-(4-(3-bromophenylamino)quinazolin...)
Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)CCCCC4CCSS4)cc23)c1
Show InChI InChI=1S/C22H23BrN4OS2/c23-15-4-3-5-16(12-15)27-22-19-13-17(8-9-20(19)24-14-25-22)26-21(28)7-2-1-6-18-10-11-29-30-18/h3-5,8-9,12-14,18H,1-2,6-7,10-11H2,(H,26,28)(H,24,25,27)
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Article
PubMed
n/an/a>3.00E+3n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of EGFR tyrosine kinase activity


J Med Chem 49: 6642-5 (2006)


Article DOI: 10.1021/jm0608762
BindingDB Entry DOI: 10.7270/Q28P605H
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50200278
PNG
(CHEMBL450944 | N-(4-(3-bromophenylamino)quinazolin...)
Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)CC4CCSS4)cc23)c1
Show InChI InChI=1S/C19H17BrN4OS2/c20-12-2-1-3-13(8-12)24-19-16-9-14(4-5-17(16)21-11-22-19)23-18(25)10-15-6-7-26-27-15/h1-5,8-9,11,15H,6-7,10H2,(H,23,25)(H,21,22,24)
PDB
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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>3.00E+3n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of EGFR tyrosine kinase activity


J Med Chem 49: 6642-5 (2006)


Article DOI: 10.1021/jm0608762
BindingDB Entry DOI: 10.7270/Q28P605H
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%