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SMILES: COc1ccccc1Nc1nccc(n1)-c1cc2c([nH]1)C1(CCN(CC1)C(=O)C#CN(C)C)CNC2=O

InChI Key:

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 3 hits for monomerid = 50579858   
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))
BDBM50579858
PNG
(CHEMBL5088102)
Show SMILES COc1ccccc1Nc1nccc(n1)-c1cc2c([nH]1)C1(CCN(CC1)C(=O)C#CN(C)C)CNC2=O
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.80n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of EGFR T790M/L858R double mutant (unknown origin) preincubated for 60 mins followed by substrate addition and further incubated for 60 mi...


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128406
BindingDB Entry DOI: 10.7270/Q2G164P6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50579858
PNG
(CHEMBL5088102)
Show SMILES COc1ccccc1Nc1nccc(n1)-c1cc2c([nH]1)C1(CCN(CC1)C(=O)C#CN(C)C)CNC2=O
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.18E+3n/an/an/an/a


TBA

Assay Description
Inhibition of EGF-induced phosphorylation of EGFR T790M/L858R double mutant in human NCI-H1975 cells preincubated for 120 mins followed by EGF stimul...


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128406
BindingDB Entry DOI: 10.7270/Q2G164P6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50579858
PNG
(CHEMBL5088102)
Show SMILES COc1ccccc1Nc1nccc(n1)-c1cc2c([nH]1)C1(CCN(CC1)C(=O)C#CN(C)C)CNC2=O
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of wild type EGFR (unknown origin) preincubated for 60 mins followed by substrate addition and further incubated for 60 mins in presence o...


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128406
BindingDB Entry DOI: 10.7270/Q2G164P6
More data for this
Ligand-Target Pair