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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' and Ligand = 'BDBM50493293'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50493293
PNG
(CHEMBL2426281)
Show SMILES Clc1cnc(Nc2cccc(NC(=O)C=C)c2)nc1-c1c[nH]c2ccccc12
Show InChI InChI=1S/C21H16ClN5O/c1-2-19(28)25-13-6-5-7-14(10-13)26-21-24-12-17(22)20(27-21)16-11-23-18-9-4-3-8-15(16)18/h2-12,23H,1H2,(H,25,28)(H,24,26,27)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 81n/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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50493293
PNG
(CHEMBL2426281)
Show SMILES Clc1cnc(Nc2cccc(NC(=O)C=C)c2)nc1-c1c[nH]c2ccccc12
Show InChI InChI=1S/C21H16ClN5O/c1-2-19(28)25-13-6-5-7-14(10-13)26-21-24-12-17(22)20(27-21)16-11-23-18-9-4-3-8-15(16)18/h2-12,23H,1H2,(H,25,28)(H,24,26,27)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 270n/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))
BDBM50493293
PNG
(CHEMBL2426281)
Show SMILES Clc1cnc(Nc2cccc(NC(=O)C=C)c2)nc1-c1c[nH]c2ccccc12
Show InChI InChI=1S/C21H16ClN5O/c1-2-19(28)25-13-6-5-7-14(10-13)26-21-24-12-17(22)20(27-21)16-11-23-18-9-4-3-8-15(16)18/h2-12,23H,1H2,(H,25,28)(H,24,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.50E+3n/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