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SMILES: COc1ccc(cc1NC(=O)C=C)-n1c(nc2ccccc12)-c1nc(cnc1N)-c1cnn(c1)C1CCN(C)CC1

InChI Key: InChIKey=KRWMYQAXGQFDBY-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 = 50177886   
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))
BDBM50177886
PNG
(CHEMBL3814961)
Show SMILES COc1ccc(cc1NC(=O)C=C)-n1c(nc2ccccc12)-c1nc(cnc1N)-c1cnn(c1)C1CCN(C)CC1
Show InChI InChI=1S/C30H31N9O2/c1-4-27(40)34-23-15-21(9-10-26(23)41-3)39-25-8-6-5-7-22(25)36-30(39)28-29(31)32-17-24(35-28)19-16-33-38(18-19)20-11-13-37(2)14-12-20/h4-10,15-18,20H,1,11-14H2,2-3H3,(H2,31,32)(H,34,40)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/an/an/a>2.00E+4n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of wild-type EGFR autophosphorylation in human LoVo cells incubated for 2 hrs followed by EGF-stiumlation for 10 mins by ELISA


ACS Med Chem Lett 7: 514-9 (2016)


BindingDB Entry DOI: 10.7270/Q2474CSN
More data for this
Ligand-Target Pair
Epidermal growth factor receptor/Receptor tyrosine-protein kinase erbB-2/Receptor tyrosine-protein kinase erbB-3/Receptor tyrosine-protein kinase erbB-4


(Homo sapiens (Human))
BDBM50177886
PNG
(CHEMBL3814961)
Show SMILES COc1ccc(cc1NC(=O)C=C)-n1c(nc2ccccc12)-c1nc(cnc1N)-c1cnn(c1)C1CCN(C)CC1
Show InChI InChI=1S/C30H31N9O2/c1-4-27(40)34-23-15-21(9-10-26(23)41-3)39-25-8-6-5-7-22(25)36-30(39)28-29(31)32-17-24(35-28)19-16-33-38(18-19)20-11-13-37(2)14-12-20/h4-10,15-18,20H,1,11-14H2,2-3H3,(H2,31,32)(H,34,40)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/an/an/a 1.34E+3n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EGFR T790M/L858R double mutant autophosphorylation in human NCI-H1975 cells incubated for 2 hrs by ELISA


ACS Med Chem Lett 7: 514-9 (2016)


BindingDB Entry DOI: 10.7270/Q2474CSN
More data for this
Ligand-Target Pair
Epidermal growth factor receptor/Receptor tyrosine-protein kinase erbB-2/Receptor tyrosine-protein kinase erbB-3/Receptor tyrosine-protein kinase erbB-4


(Homo sapiens (Human))
BDBM50177886
PNG
(CHEMBL3814961)
Show SMILES COc1ccc(cc1NC(=O)C=C)-n1c(nc2ccccc12)-c1nc(cnc1N)-c1cnn(c1)C1CCN(C)CC1
Show InChI InChI=1S/C30H31N9O2/c1-4-27(40)34-23-15-21(9-10-26(23)41-3)39-25-8-6-5-7-22(25)36-30(39)28-29(31)32-17-24(35-28)19-16-33-38(18-19)20-11-13-37(2)14-12-20/h4-10,15-18,20H,1,11-14H2,2-3H3,(H2,31,32)(H,34,40)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/an/an/a 370n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EGFR exon19 deletion activating mutant autophosphorylation in human PC9 cells incubated for 2 hrs by ELISA


ACS Med Chem Lett 7: 514-9 (2016)


BindingDB Entry DOI: 10.7270/Q2474CSN
More data for this
Ligand-Target Pair