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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 = 'BDBM50087083'   
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))
BDBM50087083
PNG
(CHEMBL31369 | N-{4-[3-Bromo-4-(2-dimethylamino-eth...)
Show SMILES CN(C)CCOc1ccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)cc1Br
Show InChI InChI=1S/C21H22BrN5O2/c1-4-20(28)25-14-5-7-18-16(11-14)21(24-13-23-18)26-15-6-8-19(17(22)12-15)29-10-9-27(2)3/h4-8,11-13H,1,9-10H2,2-3H3,(H,25,28)(H,23,24,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 27n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of phosphorylation of a polyglutamic acid/tyrosine random copolymer by EGFR enzyme prepared from human A431 carcinoma cell vesicles by imm...


J Med Chem 43: 1380-97 (2001)


BindingDB Entry DOI: 10.7270/Q2H13179
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50087083
PNG
(CHEMBL31369 | N-{4-[3-Bromo-4-(2-dimethylamino-eth...)
Show SMILES CN(C)CCOc1ccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)cc1Br
Show InChI InChI=1S/C21H22BrN5O2/c1-4-20(28)25-14-5-7-18-16(11-14)21(24-13-23-18)26-15-6-8-19(17(22)12-15)29-10-9-27(2)3/h4-8,11-13H,1,9-10H2,2-3H3,(H,25,28)(H,23,24,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 7.69E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of EGF-stimulated autophosphorylation of EGFR enzyme in A431 cells detected by immunoblotting


J Med Chem 43: 1380-97 (2001)


BindingDB Entry DOI: 10.7270/Q2H13179
More data for this
Ligand-Target Pair