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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 = 'BDBM3541'   
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))
BDBM3541
PNG
(4-N-(3-bromophenyl)-7-N-ethylquinazoline-4,7-diami...)
Show SMILES CCNc1ccc2c(Nc3cccc(Br)c3)ncnc2c1
Show InChI InChI=1S/C16H15BrN4/c1-2-18-12-6-7-14-15(9-12)19-10-20-16(14)21-13-5-3-4-11(17)8-13/h3-10,18H,2H2,1H3,(H,19,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 12n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Med Chem 51: 1179-88 (2008)


Article DOI: 10.1021/jm070654j
BindingDB Entry DOI: 10.7270/Q29Z95RD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3541
PNG
(4-N-(3-bromophenyl)-7-N-ethylquinazoline-4,7-diami...)
Show SMILES CCNc1ccc2c(Nc3cccc(Br)c3)ncnc2c1
Show InChI InChI=1S/C16H15BrN4/c1-2-18-12-6-7-14-15(9-12)19-10-20-16(14)21-13-5-3-4-11(17)8-13/h3-10,18H,2H2,1H3,(H,19,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Med Chem 39: 267-76 (1996)


Article DOI: 10.1021/jm9503613
BindingDB Entry DOI: 10.7270/Q25T3HPR
More data for this
Ligand-Target Pair