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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 = 'BDBM50148234'   
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))
BDBM50148234
PNG
(3-Methoxymethoxy-propynoic acid [4-(3-bromo-phenyl...)
Show SMILES COCOCC#CC(=O)Nc1ccc2ncc(C#N)c(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C22H17BrN4O3/c1-29-14-30-9-3-6-21(28)26-18-7-8-20-19(11-18)22(15(12-24)13-25-20)27-17-5-2-4-16(23)10-17/h2,4-5,7-8,10-11,13H,9,14H2,1H3,(H,25,27)(H,26,28)
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Article
PubMed
n/an/a 330n/an/an/an/an/an/a



Jazan University

Curated by ChEMBL


Assay Description
Inhibition of epidermal growth factor receptor kinase (unknown origin) using [33P]-ATP after 20 to 30 mins by radiometric assay


Eur J Med Chem 102: 115-31 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.030
BindingDB Entry DOI: 10.7270/Q2JQ12TS
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50148234
PNG
(3-Methoxymethoxy-propynoic acid [4-(3-bromo-phenyl...)
Show SMILES COCOCC#CC(=O)Nc1ccc2ncc(C#N)c(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C22H17BrN4O3/c1-29-14-30-9-3-6-21(28)26-18-7-8-20-19(11-18)22(15(12-24)13-25-20)27-17-5-2-4-16(23)10-17/h2,4-5,7-8,10-11,13H,9,14H2,1H3,(H,25,27)(H,26,28)
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antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 330n/an/an/an/an/an/a



Georgetown University

Curated by ChEMBL


Assay Description
Concentration required to inhibit autophosphorylation of cytoplasmic domain of epidermal growth factor receptor (EGFR)


Bioorg Med Chem Lett 14: 3397-400 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.080
BindingDB Entry DOI: 10.7270/Q21Z4505
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50148234
PNG
(3-Methoxymethoxy-propynoic acid [4-(3-bromo-phenyl...)
Show SMILES COCOCC#CC(=O)Nc1ccc2ncc(C#N)c(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C22H17BrN4O3/c1-29-14-30-9-3-6-21(28)26-18-7-8-20-19(11-18)22(15(12-24)13-25-20)27-17-5-2-4-16(23)10-17/h2,4-5,7-8,10-11,13H,9,14H2,1H3,(H,25,27)(H,26,28)
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KEGG

UniProtKB/SwissProt

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

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Article
PubMed
n/an/a 331n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition autophosphorylation of EGFR in human DiFi cells after 2 hrs by ELISA


Eur J Med Chem 43: 781-91 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.006
BindingDB Entry DOI: 10.7270/Q2DJ5GXN
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50148234
PNG
(3-Methoxymethoxy-propynoic acid [4-(3-bromo-phenyl...)
Show SMILES COCOCC#CC(=O)Nc1ccc2ncc(C#N)c(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C22H17BrN4O3/c1-29-14-30-9-3-6-21(28)26-18-7-8-20-19(11-18)22(15(12-24)13-25-20)27-17-5-2-4-16(23)10-17/h2,4-5,7-8,10-11,13H,9,14H2,1H3,(H,25,27)(H,26,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
n/an/a 3.30E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of EGFR (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-004-0105-8
BindingDB Entry DOI: 10.7270/Q2NZ8BJH
More data for this
Ligand-Target Pair