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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 = 'BDBM50007085'   
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))
BDBM50007085
PNG
((E)-4-(2-nitrovinyl)phenol | 4-(2-Nitro-vinyl)-phe...)
Show SMILES Oc1ccc(\C=C\[N+]([O-])=O)cc1
Show InChI InChI=1S/C8H7NO3/c10-8-3-1-7(2-4-8)5-6-9(11)12/h1-6,10H/b6-5+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 1n/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))
BDBM50007085
PNG
((E)-4-(2-nitrovinyl)phenol | 4-(2-Nitro-vinyl)-phe...)
Show SMILES Oc1ccc(\C=C\[N+]([O-])=O)cc1
Show InChI InChI=1S/C8H7NO3/c10-8-3-1-7(2-4-8)5-6-9(11)12/h1-6,10H/b6-5+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.01E+4n/an/an/an/an/an/a



Ciba-Geigy Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the epidermal growth factor receptor expressed in A431 cell line


J Med Chem 34: 2328-37 (1991)


Article DOI: 10.1021/jm00112a003
BindingDB Entry DOI: 10.7270/Q24F1RB9
More data for this
Ligand-Target Pair