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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' and Ligand = 'BDBM50171908'   
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))
BDBM50171908
PNG
(CHEMBL3805238 | US10106508, Compound I-38)
Show SMILES CCOc1cc2ncnc(Nc3cccc(c3)[N+]([O-])=O)c2c2OCCOc12
Show InChI InChI=1S/C18H16N4O5/c1-2-25-14-9-13-15(17-16(14)26-6-7-27-17)18(20-10-19-13)21-11-4-3-5-12(8-11)22(23)24/h3-5,8-10H,2,6-7H2,1H3,(H,19,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 9.70n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) autophosphorylation preincubated for 30 mins followed by ATP addition measured after 1 hr by kinase-glo...


Bioorg Med Chem 24: 2871-2881 (2016)


Article DOI: 10.1016/j.bmc.2016.01.003
BindingDB Entry DOI: 10.7270/Q2NP269P
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50171908
PNG
(CHEMBL3805238 | US10106508, Compound I-38)
Show SMILES CCOc1cc2ncnc(Nc3cccc(c3)[N+]([O-])=O)c2c2OCCOc12
Show InChI InChI=1S/C18H16N4O5/c1-2-25-14-9-13-15(17-16(14)26-6-7-27-17)18(20-10-19-13)21-11-4-3-5-12(8-11)22(23)24/h3-5,8-10H,2,6-7H2,1H3,(H,19,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a<50n/an/an/an/an/an/a



BEIJING SCITECH-MQ PHARMACEUTICALS LIMITED

US Patent


Assay Description
The sample compounds were dissolved in DMSO and diluted it to 500 μM concentration with DMSO and transferred to a dose plate. The compounds were...


US Patent US10106508 (2018)


BindingDB Entry DOI: 10.7270/Q26M38VB
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50171908
PNG
(CHEMBL3805238 | US10106508, Compound I-38)
Show SMILES CCOc1cc2ncnc(Nc3cccc(c3)[N+]([O-])=O)c2c2OCCOc12
Show InChI InChI=1S/C18H16N4O5/c1-2-25-14-9-13-15(17-16(14)26-6-7-27-17)18(20-10-19-13)21-11-4-3-5-12(8-11)22(23)24/h3-5,8-10H,2,6-7H2,1H3,(H,19,20,21)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 71n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Inhibition of EGFR T790M/L858R double mutant (unknown origin) autophosphorylation preincubated for 30 mins followed by ATP addition measured after 1 ...


Bioorg Med Chem 24: 2871-2881 (2016)


Article DOI: 10.1016/j.bmc.2016.01.003
BindingDB Entry DOI: 10.7270/Q2NP269P
More data for this
Ligand-Target Pair