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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' and Ligand = 'BDBM50171514'   
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))
BDBM50171514
PNG
(2-Chloro-N-[4-(4,5-dichloro-2-fluoro-phenylamino)-...)
Show SMILES Fc1cc(Cl)c(Cl)cc1Nc1ncnc2ccc(NC(=O)CCl)cc12
Show InChI InChI=1S/C16H10Cl3FN4O/c17-6-15(25)23-8-1-2-13-9(3-8)16(22-7-21-13)24-14-5-11(19)10(18)4-12(14)20/h1-5,7H,6H2,(H,23,25)(H,21,22,24)
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Article
PubMed
n/an/a 0.0700n/an/an/an/an/an/a



Hadassah Hebrew University

Curated by ChEMBL


Assay Description
Inhibition of EGF Receptor autophosphorylation in A431 cell lysate


J Med Chem 48: 5337-48 (2005)


Article DOI: 10.1021/jm0580196
BindingDB Entry DOI: 10.7270/Q28S4PG3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50171514
PNG
(2-Chloro-N-[4-(4,5-dichloro-2-fluoro-phenylamino)-...)
Show SMILES Fc1cc(Cl)c(Cl)cc1Nc1ncnc2ccc(NC(=O)CCl)cc12
Show InChI InChI=1S/C16H10Cl3FN4O/c17-6-15(25)23-8-1-2-13-9(3-8)16(22-7-21-13)24-14-5-11(19)10(18)4-12(14)20/h1-5,7H,6H2,(H,23,25)(H,21,22,24)
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Hadassah Hebrew University

Curated by ChEMBL


Assay Description
Inhibition of HER1 kinase in intact DHER14 cells; Range = 5-15 nM


J Med Chem 48: 5337-48 (2005)


Article DOI: 10.1021/jm0580196
BindingDB Entry DOI: 10.7270/Q28S4PG3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50171514
PNG
(2-Chloro-N-[4-(4,5-dichloro-2-fluoro-phenylamino)-...)
Show SMILES Fc1cc(Cl)c(Cl)cc1Nc1ncnc2ccc(NC(=O)CCl)cc12
Show InChI InChI=1S/C16H10Cl3FN4O/c17-6-15(25)23-8-1-2-13-9(3-8)16(22-7-21-13)24-14-5-11(19)10(18)4-12(14)20/h1-5,7H,6H2,(H,23,25)(H,21,22,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 25n/an/an/an/an/an/a



Hadassah Hebrew University

Curated by ChEMBL


Assay Description
Inhibition of EGF Receptor autophosphorylation in A431 cell lysate; Range = 25-50 nM


J Med Chem 48: 5337-48 (2005)


Article DOI: 10.1021/jm0580196
BindingDB Entry DOI: 10.7270/Q28S4PG3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50171514
PNG
(2-Chloro-N-[4-(4,5-dichloro-2-fluoro-phenylamino)-...)
Show SMILES Fc1cc(Cl)c(Cl)cc1Nc1ncnc2ccc(NC(=O)CCl)cc12
Show InChI InChI=1S/C16H10Cl3FN4O/c17-6-15(25)23-8-1-2-13-9(3-8)16(22-7-21-13)24-14-5-11(19)10(18)4-12(14)20/h1-5,7H,6H2,(H,23,25)(H,21,22,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 25n/an/an/an/an/an/a



Hadassah Hebrew University

Curated by ChEMBL


Assay Description
Inhibition of EGF Receptor autophosphorylation in A431 cell lysate; Range = 5-25 nM


J Med Chem 48: 5337-48 (2005)


Article DOI: 10.1021/jm0580196
BindingDB Entry DOI: 10.7270/Q28S4PG3
More data for this
Ligand-Target Pair