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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 = 'BDBM3634'   
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))
BDBM3634
PNG
(5-[(3-Bromophenyl)amino]-1-[2-(4-morpholino)ethyl]...)
Show SMILES Brc1cccc(Nc2ncnc3cc4n(CCN5CCOCC5)ccc4cc23)c1
Show InChI InChI=1S/C22H22BrN5O/c23-17-2-1-3-18(13-17)26-22-19-12-16-4-5-28(7-6-27-8-10-29-11-9-27)21(16)14-20(19)24-15-25-22/h1-5,12-15H,6-11H2,(H,24,25,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 3.70n/an/an/an/a7.425



University of Auckland



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 40: 1519-29 (1997)


Article DOI: 10.1021/jm960789h
BindingDB Entry DOI: 10.7270/Q2SJ1HRQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3634
PNG
(5-[(3-Bromophenyl)amino]-1-[2-(4-morpholino)ethyl]...)
Show SMILES Brc1cccc(Nc2ncnc3cc4n(CCN5CCOCC5)ccc4cc23)c1
Show InChI InChI=1S/C22H22BrN5O/c23-17-2-1-3-18(13-17)26-22-19-12-16-4-5-28(7-6-27-8-10-29-11-9-27)21(16)14-20(19)24-15-25-22/h1-5,12-15H,6-11H2,(H,24,25,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 15.8n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition autophosphorylation of EGFR in human DiFi cells after 2 hrs by ELISA


Eur J Med Chem 43: 781-91 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.006
BindingDB Entry DOI: 10.7270/Q2DJ5GXN
More data for this
Ligand-Target Pair