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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' and Ligand = 'BDBM50180433'   
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))
BDBM50180433
PNG
((3-Bromo-phenyl)-(8-methoxy-10,11-dihydro-5-oxa-2,...)
Show SMILES COc1ccc2Oc3ncnc(Nc4cccc(Br)c4)c3NCc2c1
Show InChI InChI=1S/C18H15BrN4O2/c1-24-14-5-6-15-11(7-14)9-20-16-17(21-10-22-18(16)25-15)23-13-4-2-3-12(19)8-13/h2-8,10,20H,9H2,1H3,(H,21,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



ImClone Systems

Curated by ChEMBL


Assay Description
Inhibition of EGFR autophosphorylation in DiFi cells


Bioorg Med Chem Lett 16: 1643-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.018
BindingDB Entry DOI: 10.7270/Q2XP74JC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50180433
PNG
((3-Bromo-phenyl)-(8-methoxy-10,11-dihydro-5-oxa-2,...)
Show SMILES COc1ccc2Oc3ncnc(Nc4cccc(Br)c4)c3NCc2c1
Show InChI InChI=1S/C18H15BrN4O2/c1-24-14-5-6-15-11(7-14)9-20-16-17(21-10-22-18(16)25-15)23-13-4-2-3-12(19)8-13/h2-8,10,20H,9H2,1H3,(H,21,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 3.10E+3n/an/an/an/an/an/a



ImClone Systems

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Bioorg Med Chem Lett 16: 1643-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.018
BindingDB Entry DOI: 10.7270/Q2XP74JC
More data for this
Ligand-Target Pair