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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 = 'BDBM50134266'   
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))
BDBM50134266
PNG
(CHEMBL3747055)
Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1ccc(cc1)C(=O)OCCn1c(C)ncc1[N+]([O-])=O)C(C)=O |t:9|
Show InChI InChI=1S/C25H25N5O6/c1-16-26-15-24(30(33)34)28(16)12-13-36-25(32)20-6-4-19(5-7-20)23-14-22(27-29(23)17(2)31)18-8-10-21(35-3)11-9-18/h4-11,15,23H,12-14H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 8.54E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged EGFR cytoplasmic domain (645-1186 aa) (unknown origin) assessed as inhibition of autophosphorylation by TR-fluorometry


Bioorg Med Chem Lett 26: 677-83 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.040
BindingDB Entry DOI: 10.7270/Q2K35WH9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50134266
PNG
(CHEMBL3747055)
Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1ccc(cc1)C(=O)OCCn1c(C)ncc1[N+]([O-])=O)C(C)=O |t:9|
Show InChI InChI=1S/C25H25N5O6/c1-16-26-15-24(30(33)34)28(16)12-13-36-25(32)20-6-4-19(5-7-20)23-14-22(27-29(23)17(2)31)18-8-10-21(35-3)11-9-18/h4-11,15,23H,12-14H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 8.55E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged EGFR cytoplasmic domain (645-1186 aa) (unknown origin) assessed as inhibition of autophosphorylation by TR-fluorometry


Bioorg Med Chem Lett 26: 677-83 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.040
BindingDB Entry DOI: 10.7270/Q2K35WH9
More data for this
Ligand-Target Pair