BindingDB logo
myBDB logout

null

SMILES: COc1cc(N(C)CCN(C)C)c(NC(=O)C(F)=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12

InChI Key: InChIKey=RZHOAFIHCFUPIH-UHFFFAOYSA-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 = 50529703   
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))
BDBM50529703
PNG
(CHEMBL4557772)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C(F)=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12
Show InChI InChI=1S/C28H32FN7O2/c1-18(29)27(37)31-22-15-23(26(38-6)16-25(22)35(4)14-13-34(2)3)33-28-30-12-11-21(32-28)20-17-36(5)24-10-8-7-9-19(20)24/h7-12,15-17H,1,13-14H2,2-6H3,(H,31,37)(H,30,32,33)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6n/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))
BDBM50529703
PNG
(CHEMBL4557772)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C(F)=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12
Show InChI InChI=1S/C28H32FN7O2/c1-18(29)27(37)31-22-15-23(26(38-6)16-25(22)35(4)14-13-34(2)3)33-28-30-12-11-21(32-28)20-17-36(5)24-10-8-7-9-19(20)24/h7-12,15-17H,1,13-14H2,2-6H3,(H,31,37)(H,30,32,33)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 65n/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))
BDBM50529703
PNG
(CHEMBL4557772)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C(F)=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12
Show InChI InChI=1S/C28H32FN7O2/c1-18(29)27(37)31-22-15-23(26(38-6)16-25(22)35(4)14-13-34(2)3)33-28-30-12-11-21(32-28)20-17-36(5)24-10-8-7-9-19(20)24/h7-12,15-17H,1,13-14H2,2-6H3,(H,31,37)(H,30,32,33)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6n/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))
BDBM50529703
PNG
(CHEMBL4557772)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C(F)=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12
Show InChI InChI=1S/C28H32FN7O2/c1-18(29)27(37)31-22-15-23(26(38-6)16-25(22)35(4)14-13-34(2)3)33-28-30-12-11-21(32-28)20-17-36(5)24-10-8-7-9-19(20)24/h7-12,15-17H,1,13-14H2,2-6H3,(H,31,37)(H,30,32,33)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 65n/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