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BDBM50493286 CHEMBL2426289

SMILES: COc1ccc(NC(=O)\C=C\CN(C)C)cc1Nc1nccc(n1)-c1cnn2ccccc12

InChI Key: InChIKey=LCDZZELKQHAKCK-SOFGYWHQSA-N

Data: 3 IC50

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 = 50493286   
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))
BDBM50493286
PNG
(CHEMBL2426289)
Show SMILES COc1ccc(NC(=O)\C=C\CN(C)C)cc1Nc1nccc(n1)-c1cnn2ccccc12
Show InChI InChI=1S/C24H25N7O2/c1-30(2)13-6-8-23(32)27-17-9-10-22(33-3)20(15-17)29-24-25-12-11-19(28-24)18-16-26-31-14-5-4-7-21(18)31/h4-12,14-16H,13H2,1-3H3,(H,27,32)(H,25,28,29)/b8-6+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.00E+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))
BDBM50493286
PNG
(CHEMBL2426289)
Show SMILES COc1ccc(NC(=O)\C=C\CN(C)C)cc1Nc1nccc(n1)-c1cnn2ccccc12
Show InChI InChI=1S/C24H25N7O2/c1-30(2)13-6-8-23(32)27-17-9-10-22(33-3)20(15-17)29-24-25-12-11-19(28-24)18-16-26-31-14-5-4-7-21(18)31/h4-12,14-16H,13H2,1-3H3,(H,27,32)(H,25,28,29)/b8-6+
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 390n/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))
BDBM50493286
PNG
(CHEMBL2426289)
Show SMILES COc1ccc(NC(=O)\C=C\CN(C)C)cc1Nc1nccc(n1)-c1cnn2ccccc12
Show InChI InChI=1S/C24H25N7O2/c1-30(2)13-6-8-23(32)27-17-9-10-22(33-3)20(15-17)29-24-25-12-11-19(28-24)18-16-26-31-14-5-4-7-21(18)31/h4-12,14-16H,13H2,1-3H3,(H,27,32)(H,25,28,29)/b8-6+
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 250n/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