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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 = 'BDBM50141149'   
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))
BDBM50141149
PNG
((E)-4-Dimethylamino-but-2-enoic acid [4-(3-bromo-p...)
Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(Nc3cccc(Br)c3)c(cnc2cn1)C#N
Show InChI InChI=1S/C21H19BrN6O/c1-28(2)8-4-7-20(29)27-19-10-17-18(13-25-19)24-12-14(11-23)21(17)26-16-6-3-5-15(22)9-16/h3-7,9-10,12-13H,8H2,1-2H3,(H,24,26)(H,25,27,29)/b7-4+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.90n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL




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))
BDBM50141149
PNG
((E)-4-Dimethylamino-but-2-enoic acid [4-(3-bromo-p...)
Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(Nc3cccc(Br)c3)c(cnc2cn1)C#N
Show InChI InChI=1S/C21H19BrN6O/c1-28(2)8-4-7-20(29)27-19-10-17-18(13-25-19)24-12-14(11-23)21(17)26-16-6-3-5-15(22)9-16/h3-7,9-10,12-13H,8H2,1-2H3,(H,24,26)(H,25,27,29)/b7-4+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.60n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of peptide substrate phosphorylation by epidermal growth factor receptor


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