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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 = 'BDBM50171525'   
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))
BDBM50171525
PNG
(2-Chloro-N-[4-(3-iodo-phenylamino)-quinazolin-6-yl...)
Show SMILES ClCC(=O)Nc1ccc2ncnc(Nc3cccc(I)c3)c2c1
Show InChI InChI=1S/C16H12ClIN4O/c17-8-15(23)21-12-4-5-14-13(7-12)16(20-9-19-14)22-11-3-1-2-10(18)6-11/h1-7,9H,8H2,(H,21,23)(H,19,20,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 0.120n/an/an/an/an/an/a



Hadassah Hebrew University

Curated by ChEMBL


Assay Description
Inhibition of EGF Receptor autophosphorylation in A431 cell lysate


J Med Chem 48: 5337-48 (2005)


Article DOI: 10.1021/jm0580196
BindingDB Entry DOI: 10.7270/Q28S4PG3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50171525
PNG
(2-Chloro-N-[4-(3-iodo-phenylamino)-quinazolin-6-yl...)
Show SMILES ClCC(=O)Nc1ccc2ncnc(Nc3cccc(I)c3)c2c1
Show InChI InChI=1S/C16H12ClIN4O/c17-8-15(23)21-12-4-5-14-13(7-12)16(20-9-19-14)22-11-3-1-2-10(18)6-11/h1-7,9H,8H2,(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


Similars

Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Hadassah Hebrew University

Curated by ChEMBL


Assay Description
Inhibition of EGF Receptor autophosphorylation in A431 cell lysate; Range = 4-10 nM


J Med Chem 48: 5337-48 (2005)


Article DOI: 10.1021/jm0580196
BindingDB Entry DOI: 10.7270/Q28S4PG3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50171525
PNG
(2-Chloro-N-[4-(3-iodo-phenylamino)-quinazolin-6-yl...)
Show SMILES ClCC(=O)Nc1ccc2ncnc(Nc3cccc(I)c3)c2c1
Show InChI InChI=1S/C16H12ClIN4O/c17-8-15(23)21-12-4-5-14-13(7-12)16(20-9-19-14)22-11-3-1-2-10(18)6-11/h1-7,9H,8H2,(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


Similars

Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Hadassah Hebrew University

Curated by ChEMBL


Assay Description
Inhibition of EGF Receptor autophosphorylation in A431 cell lysate


J Med Chem 48: 5337-48 (2005)


Article DOI: 10.1021/jm0580196
BindingDB Entry DOI: 10.7270/Q28S4PG3
More data for this
Ligand-Target Pair