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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 = 'BDBM4369'   
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))
BDBM4369
PNG
((3Z)-2-amino-3-[(3-bromo-4,5-dihydroxyphenyl)methy...)
Show SMILES Oc1cc(C=C(C#N)C(=N)C(C#N)C#N)cc(Br)c1O |w:4.3|
Show InChI InChI=1S/C13H7BrN4O2/c14-10-2-7(3-11(19)13(10)20)1-8(4-15)12(18)9(5-16)6-17/h1-3,9,18-20H
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 500n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human A431 cells


J Nat Prod 55: 1529-1560 (1992)


Article DOI: 10.1021/np50089a001
BindingDB Entry DOI: 10.7270/Q2J966CC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4369
PNG
((3Z)-2-amino-3-[(3-bromo-4,5-dihydroxyphenyl)methy...)
Show SMILES Oc1cc(C=C(C#N)C(=N)C(C#N)C#N)cc(Br)c1O |w:4.3|
Show InChI InChI=1S/C13H7BrN4O2/c14-10-2-7(3-11(19)13(10)20)1-8(4-15)12(18)9(5-16)6-17/h1-3,9,18-20H
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 500n/an/an/an/an/an/a



Hebrew University of Jerusalem



Assay Description
The activity of EGFR, preactivated with EGF, is measured by its ability to transfer terminal phosphate from [gamma-32P]ATP to poly(GAT) substrate.


J Med Chem 32: 2344-52 (1989)


Article DOI: 10.1021/jm00130a020
BindingDB Entry DOI: 10.7270/Q2G44NHF
More data for this
Ligand-Target Pair