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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 = 'BDBM50340937'   
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))
BDBM50340937
PNG
(1-(4-bromophenyl)-3-(4-(6,7-dimethoxyquinazolin-4-...)
Show SMILES COc1cc2ncnc(Oc3ccc(NC(=O)Nc4ccc(Br)cc4)cc3)c2cc1OC
Show InChI InChI=1S/C23H19BrN4O4/c1-30-20-11-18-19(12-21(20)31-2)25-13-26-22(18)32-17-9-7-16(8-10-17)28-23(29)27-15-5-3-14(24)4-6-15/h3-13H,1-2H3,(H2,27,28,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Univ. Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of human EGFR expressed in human A431 cells using poly(Glu4/Tyr) and [gamma32P]ATP as substrate after 1 hr by scintillation counting


J Med Chem 55: 1189-204 (2012)


Article DOI: 10.1021/jm2013453
BindingDB Entry DOI: 10.7270/Q2086695
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50340937
PNG
(1-(4-bromophenyl)-3-(4-(6,7-dimethoxyquinazolin-4-...)
Show SMILES COc1cc2ncnc(Oc3ccc(NC(=O)Nc4ccc(Br)cc4)cc3)c2cc1OC
Show InChI InChI=1S/C23H19BrN4O4/c1-30-20-11-18-19(12-21(20)31-2)25-13-26-22(18)32-17-9-7-16(8-10-17)28-23(29)27-15-5-3-14(24)4-6-15/h3-13H,1-2H3,(H2,27,28,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Univ Lille Nord de France, F-59000 Lille, France; UDSL, ICPAL, EA 4481, F-59006 Lille, France.

Curated by ChEMBL


Assay Description
Inhibition of human EGFR-mediated poly(Glu4Tyr) phosphorylation after 1 hr


Bioorg Med Chem Lett 21: 2106-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.137
BindingDB Entry DOI: 10.7270/Q2C24WRV
More data for this
Ligand-Target Pair