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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 = 'BDBM50077233'   
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))
BDBM50077233
PNG
(CHEMBL443523 | N-(4-(3-bromophenylamino) quinazoli...)
Show SMILES Brc1cccc(Nc2ncnc3cc(NC(=O)C=C)ccc23)c1
Show InChI InChI=1S/C17H13BrN4O/c1-2-16(23)21-13-6-7-14-15(9-13)19-10-20-17(14)22-12-5-3-4-11(18)8-12/h2-10H,1H2,(H,21,23)(H,19,20,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 0.450n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of phosphorylation of glutamic acid/tyrosine random copolymer by isolated epidermal growth factor receptor (EGFR)


J Med Chem 42: 1803-15 (1999)


Article DOI: 10.1021/jm9806603
BindingDB Entry DOI: 10.7270/Q2B56HZG
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50077233
PNG
(CHEMBL443523 | N-(4-(3-bromophenylamino) quinazoli...)
Show SMILES Brc1cccc(Nc2ncnc3cc(NC(=O)C=C)ccc23)c1
Show InChI InChI=1S/C17H13BrN4O/c1-2-16(23)21-13-6-7-14-15(9-13)19-10-20-17(14)22-12-5-3-4-11(18)8-12/h2-10H,1H2,(H,21,23)(H,19,20,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 14n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


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


J Med Chem 42: 1803-15 (1999)


Article DOI: 10.1021/jm9806603
BindingDB Entry DOI: 10.7270/Q2B56HZG
More data for this
Ligand-Target Pair