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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 = 'BDBM50141152'   
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))
BDBM50141152
PNG
(4-(3-Bromo-phenylamino)-6-(2-dimethylamino-ethoxy)...)
Show SMILES CN(C)CCOc1cc2c(Nc3cccc(Br)c3)c(cnc2cn1)C#N
Show InChI InChI=1S/C19H18BrN5O/c1-25(2)6-7-26-18-9-16-17(12-23-18)22-11-13(10-21)19(16)24-15-5-3-4-14(20)8-15/h3-5,8-9,11-12H,6-7H2,1-2H3,(H,22,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of epidermal growth factor receptor kinase autophosphorylation


Bioorg Med Chem Lett 14: 1411-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.034
BindingDB Entry DOI: 10.7270/Q2G161DC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50141152
PNG
(4-(3-Bromo-phenylamino)-6-(2-dimethylamino-ethoxy)...)
Show SMILES CN(C)CCOc1cc2c(Nc3cccc(Br)c3)c(cnc2cn1)C#N
Show InChI InChI=1S/C19H18BrN5O/c1-25(2)6-7-26-18-9-16-17(12-23-18)22-11-13(10-21)19(16)24-15-5-3-4-14(20)8-15/h3-5,8-9,11-12H,6-7H2,1-2H3,(H,22,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of epidermal growth factor receptor kinase autophosphorylation


Bioorg Med Chem Lett 14: 1411-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.034
BindingDB Entry DOI: 10.7270/Q2G161DC
More data for this
Ligand-Target Pair