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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 = 'BDBM50380487'   
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))
BDBM50380487
PNG
(CHEMBL2018884)
Show SMILES COc1cc2ncnc(Oc3ccc(NC(=O)Nc4cccc(Br)c4)c(C)c3)c2cc1OC
Show InChI InChI=1S/C24H21BrN4O4/c1-14-9-17(7-8-19(14)29-24(30)28-16-6-4-5-15(25)10-16)33-23-18-11-21(31-2)22(32-3)12-20(18)26-13-27-23/h4-13H,1-3H3,(H2,28,29,30)
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))
BDBM50380487
PNG
(CHEMBL2018884)
Show SMILES COc1cc2ncnc(Oc3ccc(NC(=O)Nc4cccc(Br)c4)c(C)c3)c2cc1OC
Show InChI InChI=1S/C24H21BrN4O4/c1-14-9-17(7-8-19(14)29-24(30)28-16-6-4-5-15(25)10-16)33-23-18-11-21(31-2)22(32-3)12-20(18)26-13-27-23/h4-13H,1-3H3,(H2,28,29,30)
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

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