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SMILES: COc1cc(N2CCN(C)CC2)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cnn2ccccc12

InChI Key: InChIKey=DHWXPNDSNSKKOJ-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 3 hits for monomerid = 50493285   
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))
BDBM50493285
PNG
(CHEMBL2424676)
Show SMILES COc1cc(N2CCN(C)CC2)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cnn2ccccc12
Show InChI InChI=1S/C26H28N8O2/c1-4-25(35)29-20-15-21(24(36-3)16-23(20)33-13-11-32(2)12-14-33)31-26-27-9-8-19(30-26)18-17-28-34-10-6-5-7-22(18)34/h4-10,15-17H,1,11-14H2,2-3H3,(H,29,35)(H,27,30,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.90E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR phosphorylation in human LoVo cells after 2 hrs by fluorescence assay


J Med Chem 56: 7025-48 (2013)


Article DOI: 10.1021/jm400822z
BindingDB Entry DOI: 10.7270/Q2PN98KQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50493285
PNG
(CHEMBL2424676)
Show SMILES COc1cc(N2CCN(C)CC2)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cnn2ccccc12
Show InChI InChI=1S/C26H28N8O2/c1-4-25(35)29-20-15-21(24(36-3)16-23(20)33-13-11-32(2)12-14-33)31-26-27-9-8-19(30-26)18-17-28-34-10-6-5-7-22(18)34/h4-10,15-17H,1,11-14H2,2-3H3,(H,29,35)(H,27,30,31)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 140n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EGFR exon 19 deletion activating mutant phosphorylation in human PC9 cells after 2 hrs by fluorescence assay


J Med Chem 56: 7025-48 (2013)


Article DOI: 10.1021/jm400822z
BindingDB Entry DOI: 10.7270/Q2PN98KQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50493285
PNG
(CHEMBL2424676)
Show SMILES COc1cc(N2CCN(C)CC2)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cnn2ccccc12
Show InChI InChI=1S/C26H28N8O2/c1-4-25(35)29-20-15-21(24(36-3)16-23(20)33-13-11-32(2)12-14-33)31-26-27-9-8-19(30-26)18-17-28-34-10-6-5-7-22(18)34/h4-10,15-17H,1,11-14H2,2-3H3,(H,29,35)(H,27,30,31)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 71n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EGFR L858R/T970M double mutant phosphorylation in human NCI-H1975 cells after 2 hrs by fluorescence assay


J Med Chem 56: 7025-48 (2013)


Article DOI: 10.1021/jm400822z
BindingDB Entry DOI: 10.7270/Q2PN98KQ
More data for this
Ligand-Target Pair