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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 = 'BDBM50209878'   
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))
BDBM50209878
PNG
((2E)-N-[4-({4-[(3-chlorobenzyl)oxy]-3,6-dioxocyclo...)
Show SMILES CCOc1cc2ncnc(NC3=CC(=O)C(OCc4cccc(Cl)c4)=CC3=O)c2cc1NC(=O)\C=C\CN(C)C |c:25,t:11|
Show InChI InChI=1S/C29H28ClN5O5/c1-4-39-26-14-21-20(12-23(26)33-28(38)9-6-10-35(2)3)29(32-17-31-21)34-22-13-25(37)27(15-24(22)36)40-16-18-7-5-8-19(30)11-18/h5-9,11-15,17H,4,10,16H2,1-3H3,(H,33,38)(H,31,32,34)/b9-6+
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 12.2n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human EGFR in presence of 1 uM ATP


Bioorg Med Chem 15: 3635-48 (2007)


Article DOI: 10.1016/j.bmc.2007.03.055
BindingDB Entry DOI: 10.7270/Q2GF0VB8
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50209878
PNG
((2E)-N-[4-({4-[(3-chlorobenzyl)oxy]-3,6-dioxocyclo...)
Show SMILES CCOc1cc2ncnc(NC3=CC(=O)C(OCc4cccc(Cl)c4)=CC3=O)c2cc1NC(=O)\C=C\CN(C)C |c:25,t:11|
Show InChI InChI=1S/C29H28ClN5O5/c1-4-39-26-14-21-20(12-23(26)33-28(38)9-6-10-35(2)3)29(32-17-31-21)34-22-13-25(37)27(15-24(22)36)40-16-18-7-5-8-19(30)11-18/h5-9,11-15,17H,4,10,16H2,1-3H3,(H,33,38)(H,31,32,34)/b9-6+
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 35.6n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human EGFR in presence of 1 mM ATP


Bioorg Med Chem 15: 3635-48 (2007)


Article DOI: 10.1016/j.bmc.2007.03.055
BindingDB Entry DOI: 10.7270/Q2GF0VB8
More data for this
Ligand-Target Pair