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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 = 'BDBM4286'   
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))
BDBM4286
PNG
((4,5-Dihydroxyindanylidene)malononitrile | 2-(4,5-...)
Show SMILES [#8]-c1ccc2\[#6](-[#6]-[#6]-c2c1-[#8])=[#6](/C#N)C#N
Show InChI InChI=1S/C12H8N2O2/c13-5-7(6-14)8-1-2-10-9(8)3-4-11(15)12(10)16/h3-4,15-16H,1-2H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 7.00E+3n/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))
BDBM4286
PNG
((4,5-Dihydroxyindanylidene)malononitrile | 2-(4,5-...)
Show SMILES [#8]-c1ccc2\[#6](-[#6]-[#6]-c2c1-[#8])=[#6](/C#N)C#N
Show InChI InChI=1S/C12H8N2O2/c13-5-7(6-14)8-1-2-10-9(8)3-4-11(15)12(10)16/h3-4,15-16H,1-2H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 7.00E+3n/an/an/an/a7.622



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