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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 = 'BDBM4287'   
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))
BDBM4287
PNG
((5-Hydroxy-2-oxo-3-indolinidene)malononitrile | 2-...)
Show SMILES [#8]-c1ccc2-[#7]-[#6](=O)\[#6](=[#6](\C#N)C#N)-c2c1
Show InChI InChI=1S/C11H5N3O2/c12-4-6(5-13)10-8-3-7(15)1-2-9(8)14-11(10)16/h1-3,15H,(H,14,16)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.00E+4n/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))
BDBM4287
PNG
((5-Hydroxy-2-oxo-3-indolinidene)malononitrile | 2-...)
Show SMILES [#8]-c1ccc2-[#7]-[#6](=O)\[#6](=[#6](\C#N)C#N)-c2c1
Show InChI InChI=1S/C11H5N3O2/c12-4-6(5-13)10-8-3-7(15)1-2-9(8)14-11(10)16/h1-3,15H,(H,14,16)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.25E+4n/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 34: 1896-907 (1991)


Article DOI: 10.1021/jm00110a022
BindingDB Entry DOI: 10.7270/Q2KW5D7V
More data for this
Ligand-Target Pair