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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 = 'BDBM50314989'   
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))
BDBM50314989
PNG
(CHEMBL1092250 | N-(3-Ethynylphenyl)-6,7-dimethoxyq...)
Show SMILES COc1cc2nccc(Nc3cccc(c3)C#C)c2cc1OC
Show InChI InChI=1S/C19H16N2O2/c1-4-13-6-5-7-14(10-13)21-16-8-9-20-17-12-19(23-3)18(22-2)11-15(16)17/h1,5-12H,2-3H3,(H,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 19n/an/an/an/an/an/a



Chemical Genomics Centre of the Max Planck Society

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR by HTRF assay


J Med Chem 53: 2892-901 (2010)


Article DOI: 10.1021/jm901877j
BindingDB Entry DOI: 10.7270/Q2T43T7N
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50314989
PNG
(CHEMBL1092250 | N-(3-Ethynylphenyl)-6,7-dimethoxyq...)
Show SMILES COc1cc2nccc(Nc3cccc(c3)C#C)c2cc1OC
Show InChI InChI=1S/C19H16N2O2/c1-4-13-6-5-7-14(10-13)21-16-8-9-20-17-12-19(23-3)18(22-2)11-15(16)17/h1,5-12H,2-3H3,(H,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 42n/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))
BDBM50314989
PNG
(CHEMBL1092250 | N-(3-Ethynylphenyl)-6,7-dimethoxyq...)
Show SMILES COc1cc2nccc(Nc3cccc(c3)C#C)c2cc1OC
Show InChI InChI=1S/C19H16N2O2/c1-4-13-6-5-7-14(10-13)21-16-8-9-20-17-12-19(23-3)18(22-2)11-15(16)17/h1,5-12H,2-3H3,(H,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/a 0.270n/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