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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' and Ligand = 'BDBM6497'   
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))
BDBM6497
PNG
(6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinazolin...)
Show SMILES COc1cc2ncnc(Nc3cc(OC)c(OC)c(OC)c3)c2cc1OC
Show InChI InChI=1S/C19H21N3O5/c1-23-14-8-12-13(9-15(14)24-2)20-10-21-19(12)22-11-6-16(25-3)18(27-5)17(7-11)26-4/h6-10H,1-5H3,(H,20,21,22)
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Article
n/an/a 500n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonism towards Epidermal growth factor receptor


Bioorg Med Chem Lett 7: 421-424 (1997)


Article DOI: 10.1016/S0960-894X(97)00035-8
BindingDB Entry DOI: 10.7270/Q2SB45RN
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM6497
PNG
(6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinazolin...)
Show SMILES COc1cc2ncnc(Nc3cc(OC)c(OC)c(OC)c3)c2cc1OC
Show InChI InChI=1S/C19H21N3O5/c1-23-14-8-12-13(9-15(14)24-2)20-10-21-19(12)22-11-6-16(25-3)18(27-5)17(7-11)26-4/h6-10H,1-5H3,(H,20,21,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



TBA

Curated by ChEMBL


Assay Description
Inhibition of Epidermal growth factor receptor autophosphorylation.


Bioorg Med Chem Lett 7: 417-420 (1997)


Article DOI: 10.1016/S0960-894X(97)00034-6
BindingDB Entry DOI: 10.7270/Q2J966VN
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM6497
PNG
(6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinazolin...)
Show SMILES COc1cc2ncnc(Nc3cc(OC)c(OC)c(OC)c3)c2cc1OC
Show InChI InChI=1S/C19H21N3O5/c1-23-14-8-12-13(9-15(14)24-2)20-10-21-19(12)22-11-6-16(25-3)18(27-5)17(7-11)26-4/h6-10H,1-5H3,(H,20,21,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


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Article
PubMed
n/an/a 5.40E+3n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human A431 cells assessed as reduction in EGF-stimulated EGFR autophosphorylation preincuabted for 90 mins followed by EGF-stim...


J Med Chem 62: 4772-4778 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00350
BindingDB Entry DOI: 10.7270/Q2RJ4NVJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM6497
PNG
(6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinazolin...)
Show SMILES COc1cc2ncnc(Nc3cc(OC)c(OC)c(OC)c3)c2cc1OC
Show InChI InChI=1S/C19H21N3O5/c1-23-14-8-12-13(9-15(14)24-2)20-10-21-19(12)22-11-6-16(25-3)18(27-5)17(7-11)26-4/h6-10H,1-5H3,(H,20,21,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 22n/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Binding affinity to wild-type human partial length EGFR (R669 to V1011 residues) expressed in bacterial expression system by Kinomescan method


J Med Chem 62: 4772-4778 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00350
BindingDB Entry DOI: 10.7270/Q2RJ4NVJ
More data for this
Ligand-Target Pair