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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 = 'BDBM50452343'   
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))
BDBM50452343
PNG
(CHEMBL4214035)
Show SMILES COc1ccc(cc1O)-c1c2c(n3ccc4cc(O)c(OC)cc4c13)c(=O)oc1cc(OC)c(OC)cc21
Show InChI InChI=1S/C29H23NO8/c1-34-20-6-5-15(10-18(20)31)25-26-17-12-23(36-3)24(37-4)13-21(17)38-29(33)28(26)30-8-7-14-9-19(32)22(35-2)11-16(14)27(25)30/h5-13,31-32H,1-4H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Nagasaki University

Curated by ChEMBL


Assay Description
Inhibition of recombinant wild type EGFR (696 to C-terminal residues) (unknown origin) preincubated for 30 mins followed by poly (Glu-Tyr) biotinylat...


Bioorg Med Chem 25: 6563-6580 (2017)


Article DOI: 10.1016/j.bmc.2017.10.030
BindingDB Entry DOI: 10.7270/Q2RB7764
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50452343
PNG
(CHEMBL4214035)
Show SMILES COc1ccc(cc1O)-c1c2c(n3ccc4cc(O)c(OC)cc4c13)c(=O)oc1cc(OC)c(OC)cc21
Show InChI InChI=1S/C29H23NO8/c1-34-20-6-5-15(10-18(20)31)25-26-17-12-23(36-3)24(37-4)13-21(17)38-29(33)28(26)30-8-7-14-9-19(32)22(35-2)11-16(14)27(25)30/h5-13,31-32H,1-4H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Nagasaki University

Curated by ChEMBL


Assay Description
Inhibition of recombinant EGFR (unknown origin) T790M/L858R double mutant preincubated for 30 mins followed by poly (Glu-Tyr) biotinylated peptide su...


Bioorg Med Chem 25: 6563-6580 (2017)


Article DOI: 10.1016/j.bmc.2017.10.030
BindingDB Entry DOI: 10.7270/Q2RB7764
More data for this
Ligand-Target Pair