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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' and Ligand = 'BDBM4293'   
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))
BDBM4293
PNG
((2E)-3-(3,4-dihydroxyphenyl)-2-[(3,4-dihydroxyphen...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)c2ccc(O)c(O)c2)cc1O
Show InChI InChI=1S/C16H11NO5/c17-8-11(5-9-1-3-12(18)14(20)6-9)16(22)10-2-4-13(19)15(21)7-10/h1-7,18-21H/b11-5+
PDB
MMDB

KEGG

UniProtKB/SwissProt

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MCE
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PC sid
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Article
PubMed
n/an/a 370n/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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4293
PNG
((2E)-3-(3,4-dihydroxyphenyl)-2-[(3,4-dihydroxyphen...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)c2ccc(O)c(O)c2)cc1O
Show InChI InChI=1S/C16H11NO5/c17-8-11(5-9-1-3-12(18)14(20)6-9)16(22)10-2-4-13(19)15(21)7-10/h1-7,18-21H/b11-5+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 400n/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))
BDBM4293
PNG
((2E)-3-(3,4-dihydroxyphenyl)-2-[(3,4-dihydroxyphen...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)c2ccc(O)c(O)c2)cc1O
Show InChI InChI=1S/C16H11NO5/c17-8-11(5-9-1-3-12(18)14(20)6-9)16(22)10-2-4-13(19)15(21)7-10/h1-7,18-21H/b11-5+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 5.01E+3n/an/an/an/an/an/a



University of Tennessee Health Sciences Center

Curated by ChEMBL


Assay Description
Inhibitory activity against epidermal growth factor receptor (EGFR)


J Med Chem 46: 4657-68 (2003)


Article DOI: 10.1021/jm030065n
BindingDB Entry DOI: 10.7270/Q2N58NKR
More data for this
Ligand-Target Pair