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SMILES: CCC\C=C/C(=O)Nc1cc(Nc2nc(C)cc(n2)-c2cn(C)c3ccccc23)c(OC)cc1N(C)CCN(C)C

InChI Key: InChIKey=UZMIOFYGNLYZAY-GDNBJRDFSA-N

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 = 50529688   
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))
BDBM50529688
PNG
(CHEMBL4548960)
Show SMILES CCC\C=C/C(=O)Nc1cc(Nc2nc(C)cc(n2)-c2cn(C)c3ccccc23)c(OC)cc1N(C)CCN(C)C
Show InChI InChI=1S/C32H41N7O2/c1-8-9-10-15-31(40)34-26-19-27(30(41-7)20-29(26)38(5)17-16-37(3)4)36-32-33-22(2)18-25(35-32)24-21-39(6)28-14-12-11-13-23(24)28/h10-15,18-21H,8-9,16-17H2,1-7H3,(H,34,40)(H,33,35,36)/b15-10-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8n/an/an/an/an/an/a



Jiangxi Science & Technology Normal University

Curated by ChEMBL


Assay Description
Inhibition of EGFR T790M/L858R double mutant (unknown origin) using substrate-biotin by ELISA-based mobility shift assay


Eur J Med Chem 163: 367-380 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.069
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50529688
PNG
(CHEMBL4548960)
Show SMILES CCC\C=C/C(=O)Nc1cc(Nc2nc(C)cc(n2)-c2cn(C)c3ccccc23)c(OC)cc1N(C)CCN(C)C
Show InChI InChI=1S/C32H41N7O2/c1-8-9-10-15-31(40)34-26-19-27(30(41-7)20-29(26)38(5)17-16-37(3)4)36-32-33-22(2)18-25(35-32)24-21-39(6)28-14-12-11-13-23(24)28/h10-15,18-21H,8-9,16-17H2,1-7H3,(H,34,40)(H,33,35,36)/b15-10-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.53E+3n/an/an/an/an/an/a



Jiangxi Science & Technology Normal University

Curated by ChEMBL


Assay Description
Inhibition of wild-type EGFR (unknown origin) using substrate-biotin by ELISA-based mobility shift assay


Eur J Med Chem 163: 367-380 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.069
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50529688
PNG
(CHEMBL4548960)
Show SMILES CCC\C=C/C(=O)Nc1cc(Nc2nc(C)cc(n2)-c2cn(C)c3ccccc23)c(OC)cc1N(C)CCN(C)C
Show InChI InChI=1S/C32H41N7O2/c1-8-9-10-15-31(40)34-26-19-27(30(41-7)20-29(26)38(5)17-16-37(3)4)36-32-33-22(2)18-25(35-32)24-21-39(6)28-14-12-11-13-23(24)28/h10-15,18-21H,8-9,16-17H2,1-7H3,(H,34,40)(H,33,35,36)/b15-10-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.53E+3n/an/an/an/an/an/a



Jiangxi Science & Technology Normal University

Curated by ChEMBL


Assay Description
Inhibition of wild-type EGFR (unknown origin) using substrate-biotin by ELISA-based mobility shift assay


Eur J Med Chem 163: 367-380 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.069
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50529688
PNG
(CHEMBL4548960)
Show SMILES CCC\C=C/C(=O)Nc1cc(Nc2nc(C)cc(n2)-c2cn(C)c3ccccc23)c(OC)cc1N(C)CCN(C)C
Show InChI InChI=1S/C32H41N7O2/c1-8-9-10-15-31(40)34-26-19-27(30(41-7)20-29(26)38(5)17-16-37(3)4)36-32-33-22(2)18-25(35-32)24-21-39(6)28-14-12-11-13-23(24)28/h10-15,18-21H,8-9,16-17H2,1-7H3,(H,34,40)(H,33,35,36)/b15-10-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8n/an/an/an/an/an/a



Jiangxi Science & Technology Normal University

Curated by ChEMBL


Assay Description
Inhibition of EGFR T790M/L858R double mutant (unknown origin) using substrate-biotin by ELISA-based mobility shift assay


Eur J Med Chem 163: 367-380 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.069
More data for this
Ligand-Target Pair