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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 = 'BDBM50247802'   
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))
BDBM50247802
PNG
(CHEMBL474538 | N4-(3-bromophenyl)-2-(naphthalen-1-...)
Show SMILES Nc1nc(Nc2cccc(Br)c2)c2cc(Cc3cccc4ccccc34)[nH]c2n1
Show InChI InChI=1S/C23H18BrN5/c24-16-8-4-9-17(12-16)26-21-20-13-18(27-22(20)29-23(25)28-21)11-15-7-3-6-14-5-1-2-10-19(14)15/h1-10,12-13H,11H2,(H4,25,26,27,28,29)
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Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) expressed in human tumor cells


Bioorg Med Chem 16: 5514-28 (2008)


Article DOI: 10.1016/j.bmc.2008.04.019
BindingDB Entry DOI: 10.7270/Q2GF0T9D
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50247802
PNG
(CHEMBL474538 | N4-(3-bromophenyl)-2-(naphthalen-1-...)
Show SMILES Nc1nc(Nc2cccc(Br)c2)c2cc(Cc3cccc4ccccc34)[nH]c2n1
Show InChI InChI=1S/C23H18BrN5/c24-16-8-4-9-17(12-16)26-21-20-13-18(27-22(20)29-23(25)28-21)11-15-7-3-6-14-5-1-2-10-19(14)15/h1-10,12-13H,11H2,(H4,25,26,27,28,29)
PDB
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KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
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CHEMBL
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PC sid
UniChem

Patents


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Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Bioorg Med Chem 20: 2444-54 (2012)


Article DOI: 10.1016/j.bmc.2012.01.029
BindingDB Entry DOI: 10.7270/Q2XK8G14
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50247802
PNG
(CHEMBL474538 | N4-(3-bromophenyl)-2-(naphthalen-1-...)
Show SMILES Nc1nc(Nc2cccc(Br)c2)c2cc(Cc3cccc4ccccc34)[nH]c2n1
Show InChI InChI=1S/C23H18BrN5/c24-16-8-4-9-17(12-16)26-21-20-13-18(27-22(20)29-23(25)28-21)11-15-7-3-6-14-5-1-2-10-19(14)15/h1-10,12-13H,11H2,(H4,25,26,27,28,29)
PDB
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR


J Med Chem 52: 964-75 (2009)


Article DOI: 10.1021/jm800829v
BindingDB Entry DOI: 10.7270/Q27W6C7Q
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50247802
PNG
(CHEMBL474538 | N4-(3-bromophenyl)-2-(naphthalen-1-...)
Show SMILES Nc1nc(Nc2cccc(Br)c2)c2cc(Cc3cccc4ccccc34)[nH]c2n1
Show InChI InChI=1S/C23H18BrN5/c24-16-8-4-9-17(12-16)26-21-20-13-18(27-22(20)29-23(25)28-21)11-15-7-3-6-14-5-1-2-10-19(14)15/h1-10,12-13H,11H2,(H4,25,26,27,28,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGFR tyrosine kinase activity in EGF-stimulated human A431 cells after 60 mins by ELISA


Bioorg Med Chem 20: 910-4 (2012)


Article DOI: 10.1016/j.bmc.2011.11.058
BindingDB Entry DOI: 10.7270/Q27W6CMN
More data for this
Ligand-Target Pair