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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 = 'BDBM50290836'   
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))
BDBM50290836
PNG
((3-Bromo-phenyl)-(6,7-dimethoxy-quinolin-4-yl)-ami...)
Show SMILES COc1cc2nccc(Nc3cccc(Br)c3)c2cc1OC
Show InChI InChI=1S/C17H15BrN2O2/c1-21-16-9-13-14(20-12-5-3-4-11(18)8-12)6-7-19-15(13)10-17(16)22-2/h3-10H,1-2H3,(H,19,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 170n/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))
BDBM50290836
PNG
((3-Bromo-phenyl)-(6,7-dimethoxy-quinolin-4-yl)-ami...)
Show SMILES COc1cc2nccc(Nc3cccc(Br)c3)c2cc1OC
Show InChI InChI=1S/C17H15BrN2O2/c1-21-16-9-13-14(20-12-5-3-4-11(18)8-12)6-7-19-15(13)10-17(16)22-2/h3-10H,1-2H3,(H,19,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
n/an/a 370n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of epidermal growth factor receptor (EGF-R) autophosphorylation in A431 cells


Bioorg Med Chem Lett 7: 2935-2940 (1997)


Article DOI: 10.1016/S0960-894X(97)10117-2
BindingDB Entry DOI: 10.7270/Q20Z738R
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50290836
PNG
((3-Bromo-phenyl)-(6,7-dimethoxy-quinolin-4-yl)-ami...)
Show SMILES COc1cc2nccc(Nc3cccc(Br)c3)c2cc1OC
Show InChI InChI=1S/C17H15BrN2O2/c1-21-16-9-13-14(20-12-5-3-4-11(18)8-12)6-7-19-15(13)10-17(16)22-2/h3-10H,1-2H3,(H,19,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 58n/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