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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 = 'BDBM50424960'   
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))
BDBM50424960
PNG
(CHEMBL2316155 | US9409845, Table 1, Compound 16: (...)
Show SMILES COc1cc(OC)cc(\C=C2/CCC\C(=C/c3ccc(OC)c(O)c3)C2=O)c1
Show InChI InChI=1S/C23H24O5/c1-26-19-11-16(12-20(14-19)27-2)10-18-6-4-5-17(23(18)25)9-15-7-8-22(28-3)21(24)13-15/h7-14,24H,4-6H2,1-3H3/b17-9+,18-10+
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 5.30E+3n/an/an/an/an/an/a



Soochow University

Curated by ChEMBL


Assay Description
Inhibition of EGFR cytoplasmic domain (amino acids 645 to 1186) (unknown origin) expressed in Sf9 cells assessed as reduction in enzyme autophosphory...


Bioorg Med Chem 21: 388-94 (2012)


Article DOI: 10.1016/j.bmc.2012.11.031
BindingDB Entry DOI: 10.7270/Q2SJ1MX6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50424960
PNG
(CHEMBL2316155 | US9409845, Table 1, Compound 16: (...)
Show SMILES COc1cc(OC)cc(\C=C2/CCC\C(=C/c3ccc(OC)c(O)c3)C2=O)c1
Show InChI InChI=1S/C23H24O5/c1-26-19-11-16(12-20(14-19)27-2)10-18-6-4-5-17(23(18)25)9-15-7-8-22(28-3)21(24)13-15/h7-14,24H,4-6H2,1-3H3/b17-9+,18-10+
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 5.37E+3n/an/an/an/an/a25



PHARMAXYN LABORATORIES LTD.

US Patent


Assay Description
The kinase activity of EGFR was detected according to time-resolved fluorescence detection technology to evaluate automatic phosphorylation levels. T...


US Patent US9409845 (2016)


BindingDB Entry DOI: 10.7270/Q25M64MC
More data for this
Ligand-Target Pair