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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 = 'BDBM50141148'   
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))
BDBM50141148
PNG
(CHEMBL281467 | N-[5-(3-Bromo-phenylamino)-6-cyano-...)
Show SMILES Brc1cccc(Nc2c(cnc3ncc(NC(=O)C=C)cc23)C#N)c1
Show InChI InChI=1S/C18H12BrN5O/c1-2-16(25)23-14-7-15-17(24-13-5-3-4-12(19)6-13)11(8-20)9-21-18(15)22-10-14/h2-7,9-10H,1H2,(H,23,25)(H,21,22,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 375n/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))
BDBM50141148
PNG
(CHEMBL281467 | N-[5-(3-Bromo-phenylamino)-6-cyano-...)
Show SMILES Brc1cccc(Nc2c(cnc3ncc(NC(=O)C=C)cc23)C#N)c1
Show InChI InChI=1S/C18H12BrN5O/c1-2-16(25)23-14-7-15-17(24-13-5-3-4-12(19)6-13)11(8-20)9-21-18(15)22-10-14/h2-7,9-10H,1H2,(H,23,25)(H,21,22,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 976n/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