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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 = 'BDBM50141151'   
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))
BDBM50141151
PNG
(But-2-ynoic acid [5-(3-bromo-phenylamino)-6-cyano-...)
Show SMILES CC#CC(=O)Nc1cnc2ncc(C#N)c(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C19H12BrN5O/c1-2-4-17(26)24-15-8-16-18(25-14-6-3-5-13(20)7-14)12(9-21)10-22-19(16)23-11-15/h3,5-8,10-11H,1H3,(H,24,26)(H,22,23,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.27E+3n/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))
BDBM50141151
PNG
(But-2-ynoic acid [5-(3-bromo-phenylamino)-6-cyano-...)
Show SMILES CC#CC(=O)Nc1cnc2ncc(C#N)c(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C19H12BrN5O/c1-2-4-17(26)24-15-8-16-18(25-14-6-3-5-13(20)7-14)12(9-21)10-22-19(16)23-11-15/h3,5-8,10-11H,1H3,(H,24,26)(H,22,23,25)
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