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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 = 'BDBM50069095'   
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))
BDBM50069095
PNG
(CHEMBL3403516 | US10189853, Compound 9)
Show SMILES COc1ccc2n(ccc2c1)-c1nc(C)nc2oc(C)cc12
Show InChI InChI=1S/C17H15N3O2/c1-10-8-14-16(18-11(2)19-17(14)22-10)20-7-6-12-9-13(21-3)4-5-15(12)20/h4-9H,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a>500n/an/an/an/an/an/a



Duquesne University of the Holy Spirit

US Patent


Assay Description
RTK inhibitory activity of the compounds 2-12 were evaluated using human tumor cells known to express high levels of EGFR, VEGFR-2 or PDFGR-β us...


US Patent US10189853 (2019)


BindingDB Entry DOI: 10.7270/Q2RX9F5S
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50069095
PNG
(CHEMBL3403516 | US10189853, Compound 9)
Show SMILES COc1ccc2n(ccc2c1)-c1nc(C)nc2oc(C)cc12
Show InChI InChI=1S/C17H15N3O2/c1-10-8-14-16(18-11(2)19-17(14)22-10)20-7-6-12-9-13(21-3)4-5-15(12)20/h4-9H,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>500n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human A431 cells compound pretreated for 60 min before EGF stimulation for 10 mins by phosphotyrosine ELISA cytoblot method


Bioorg Med Chem 23: 2408-23 (2015)


Article DOI: 10.1016/j.bmc.2015.03.061
BindingDB Entry DOI: 10.7270/Q2765H1D
More data for this
Ligand-Target Pair