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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 = 'BDBM50192496'   
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))
BDBM50192496
PNG
(1-(3-chloro-phenylsulfanyl)-7,8-dimethoxy-10,11-di...)
Show SMILES COc1cc2CNc3c(Oc2cc1OC)ncnc3Sc1cccc(Cl)c1
Show InChI InChI=1S/C19H16ClN3O3S/c1-24-15-6-11-9-21-17-18(26-14(11)8-16(15)25-2)22-10-23-19(17)27-13-5-3-4-12(20)7-13/h3-8,10,21H,9H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



ImClone Systems Inc

Curated by ChEMBL


Assay Description
Inhibition of EGFR measured as pGAT-biotin peptide phosphorylation in presence of 2.0 uM ATP by HTRF assay


Bioorg Med Chem Lett 16: 5102-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.031
BindingDB Entry DOI: 10.7270/Q2K9374T
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50192496
PNG
(1-(3-chloro-phenylsulfanyl)-7,8-dimethoxy-10,11-di...)
Show SMILES COc1cc2CNc3c(Oc2cc1OC)ncnc3Sc1cccc(Cl)c1
Show InChI InChI=1S/C19H16ClN3O3S/c1-24-15-6-11-9-21-17-18(26-14(11)8-16(15)25-2)22-10-23-19(17)27-13-5-3-4-12(20)7-13/h3-8,10,21H,9H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 2.40E+3n/an/an/an/an/an/a



ImClone Systems Inc

Curated by ChEMBL


Assay Description
Inhibition of EGFR autophosphorylation in DiFi cells by ELISA


Bioorg Med Chem Lett 16: 5102-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.031
BindingDB Entry DOI: 10.7270/Q2K9374T
More data for this
Ligand-Target Pair