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BDBM50171916 CHEMBL3805299::US10106508, Compound I-11

SMILES: COCCOc1cc2ncnc(Nc3ccc(C)c(c3)[N+]([O-])=O)c2c2OCCOc12

InChI Key: InChIKey=FSRMUDDPGLEQSI-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50171916   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50171916
PNG
(CHEMBL3805299 | US10106508, Compound I-11)
Show SMILES COCCOc1cc2ncnc(Nc3ccc(C)c(c3)[N+]([O-])=O)c2c2OCCOc12
Show InChI InChI=1S/C20H20N4O6/c1-12-3-4-13(9-15(12)24(25)26)23-20-17-14(21-11-22-20)10-16(28-6-5-27-2)18-19(17)30-8-7-29-18/h3-4,9-11H,5-8H2,1-2H3,(H,21,22,23)
PDB

KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+3n/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
Epidermal growth factor receptor (T790M)


(Homo sapiens (Human))
BDBM50171916
PNG
(CHEMBL3805299 | US10106508, Compound I-11)
Show SMILES COCCOc1cc2ncnc(Nc3ccc(C)c(c3)[N+]([O-])=O)c2c2OCCOc12
Show InChI InChI=1S/C20H20N4O6/c1-12-3-4-13(9-15(12)24(25)26)23-20-17-14(21-11-22-20)10-16(28-6-5-27-2)18-19(17)30-8-7-29-18/h3-4,9-11H,5-8H2,1-2H3,(H,21,22,23)
PDB
MMDB

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
US Patent
n/an/a<1.00E+3n/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)


Article DOI: 10.1021/jm049355+
BindingDB Entry DOI: 10.7270/Q26M38VB
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50171916
PNG
(CHEMBL3805299 | US10106508, Compound I-11)
Show SMILES COCCOc1cc2ncnc(Nc3ccc(C)c(c3)[N+]([O-])=O)c2c2OCCOc12
Show InChI InChI=1S/C20H20N4O6/c1-12-3-4-13(9-15(12)24(25)26)23-20-17-14(21-11-22-20)10-16(28-6-5-27-2)18-19(17)30-8-7-29-18/h3-4,9-11H,5-8H2,1-2H3,(H,21,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
US Patent
n/an/a<100n/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)


Article DOI: 10.1021/jm049355+
BindingDB Entry DOI: 10.7270/Q26M38VB
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50171916
PNG
(CHEMBL3805299 | US10106508, Compound I-11)
Show SMILES COCCOc1cc2ncnc(Nc3ccc(C)c(c3)[N+]([O-])=O)c2c2OCCOc12
Show InChI InChI=1S/C20H20N4O6/c1-12-3-4-13(9-15(12)24(25)26)23-20-17-14(21-11-22-20)10-16(28-6-5-27-2)18-19(17)30-8-7-29-18/h3-4,9-11H,5-8H2,1-2H3,(H,21,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 75n/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