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BDBM50154284 CHEMBL3775664::US10106508, Compound II-2

SMILES: Fc1ccc(Nc2ncnc3cc4OCC(=O)N(CCCN5CCOCC5)c4cc23)cc1Cl

InChI Key: InChIKey=OTFQIRDSLHXCMT-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 = 50154284   
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))
BDBM50154284
PNG
(CHEMBL3775664 | US10106508, Compound II-2)
Show SMILES Fc1ccc(Nc2ncnc3cc4OCC(=O)N(CCCN5CCOCC5)c4cc23)cc1Cl
Show InChI InChI=1S/C23H23ClFN5O3/c24-17-10-15(2-3-18(17)25)28-23-16-11-20-21(12-19(16)26-14-27-23)33-13-22(31)30(20)5-1-4-29-6-8-32-9-7-29/h2-3,10-12,14H,1,4-9,13H2,(H,26,27,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 53n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Inhibition of wildtype EGFR (unknown origin) preincubated for 30 mins followed by addition of 2x ATP-substrate mixture measured after 1 hr by Kinase ...


Bioorg Med Chem Lett 26: 1571-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.009
BindingDB Entry DOI: 10.7270/Q20G3N1W
More data for this
Ligand-Target Pair
Epidermal growth factor receptor (T790M)


(Homo sapiens (Human))
BDBM50154284
PNG
(CHEMBL3775664 | US10106508, Compound II-2)
Show SMILES Fc1ccc(Nc2ncnc3cc4OCC(=O)N(CCCN5CCOCC5)c4cc23)cc1Cl
Show InChI InChI=1S/C23H23ClFN5O3/c24-17-10-15(2-3-18(17)25)28-23-16-11-20-21(12-19(16)26-14-27-23)33-13-22(31)30(20)5-1-4-29-6-8-32-9-7-29/h2-3,10-12,14H,1,4-9,13H2,(H,26,27,28)
PDB
MMDB

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


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))
BDBM50154284
PNG
(CHEMBL3775664 | US10106508, Compound II-2)
Show SMILES Fc1ccc(Nc2ncnc3cc4OCC(=O)N(CCCN5CCOCC5)c4cc23)cc1Cl
Show InChI InChI=1S/C23H23ClFN5O3/c24-17-10-15(2-3-18(17)25)28-23-16-11-20-21(12-19(16)26-14-27-23)33-13-22(31)30(20)5-1-4-29-6-8-32-9-7-29/h2-3,10-12,14H,1,4-9,13H2,(H,26,27,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
US Patent
n/an/a<200n/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))
BDBM50154284
PNG
(CHEMBL3775664 | US10106508, Compound II-2)
Show SMILES Fc1ccc(Nc2ncnc3cc4OCC(=O)N(CCCN5CCOCC5)c4cc23)cc1Cl
Show InChI InChI=1S/C23H23ClFN5O3/c24-17-10-15(2-3-18(17)25)28-23-16-11-20-21(12-19(16)26-14-27-23)33-13-22(31)30(20)5-1-4-29-6-8-32-9-7-29/h2-3,10-12,14H,1,4-9,13H2,(H,26,27,28)
PDB

KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 336n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Inhibition of EGFR-T790M/L858 mutant (unknown origin) preincubated for 30 mins followed by addition of 2x ATP-substrate mixture measured after 1 hr b...


Bioorg Med Chem Lett 26: 1571-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.009
BindingDB Entry DOI: 10.7270/Q20G3N1W
More data for this
Ligand-Target Pair