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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 = 'BDBM50380446'   
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))
BDBM50380446
PNG
(CHEMBL2018756)
Show SMILES CCOC(=O)Nc1ccc(Nc2ncnc3cc(OC)c(OC)cc23)cc1C
Show InChI InChI=1S/C20H22N4O4/c1-5-28-20(25)24-15-7-6-13(8-12(15)2)23-19-14-9-17(26-3)18(27-4)10-16(14)21-11-22-19/h6-11H,5H2,1-4H3,(H,24,25)(H,21,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 900n/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))
BDBM50380446
PNG
(CHEMBL2018756)
Show SMILES CCOC(=O)Nc1ccc(Nc2ncnc3cc(OC)c(OC)cc23)cc1C
Show InChI InChI=1S/C20H22N4O4/c1-5-28-20(25)24-15-7-6-13(8-12(15)2)23-19-14-9-17(26-3)18(27-4)10-16(14)21-11-22-19/h6-11H,5H2,1-4H3,(H,24,25)(H,21,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 900n/an/an/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Inhibition of human EGFR after 1 hr using [gamma-32P]ATP


Bioorg Med Chem 23: 7340-7 (2015)


Article DOI: 10.1016/j.bmc.2015.10.035
BindingDB Entry DOI: 10.7270/Q2BZ67VR
More data for this
Ligand-Target Pair