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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' and Ligand = 'BDBM50157364'   
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))
BDBM50157364
PNG
(CHEMBL3780955)
Show SMILES CN1CCN(CC1)c1ccc(NC(=O)c2c(Nc3ccccc3Cl)cc[nH]c2=O)cc1
Show InChI InChI=1S/C23H24ClN5O2/c1-28-12-14-29(15-13-28)17-8-6-16(7-9-17)26-23(31)21-20(10-11-25-22(21)30)27-19-5-3-2-4-18(19)24/h2-11H,12-15H2,1H3,(H,26,31)(H2,25,27,30)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
82n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human EGFR catalytic domain (668 to 1210 residues) T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 peptide substrate preincubate...


ACS Med Chem Lett 7: 100-4 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00428
BindingDB Entry DOI: 10.7270/Q25T3NCC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50157364
PNG
(CHEMBL3780955)
Show SMILES CN1CCN(CC1)c1ccc(NC(=O)c2c(Nc3ccccc3Cl)cc[nH]c2=O)cc1
Show InChI InChI=1S/C23H24ClN5O2/c1-28-12-14-29(15-13-28)17-8-6-16(7-9-17)26-23(31)21-20(10-11-25-22(21)30)27-19-5-3-2-4-18(19)24/h2-11H,12-15H2,1H3,(H,26,31)(H2,25,27,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.48E+3n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged EGFR catalytic domain (669 to 1210 residues) expressed in baculovirus expression system using Fl-EEPLYWSFPA...


ACS Med Chem Lett 7: 100-4 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00428
BindingDB Entry DOI: 10.7270/Q25T3NCC
More data for this
Ligand-Target Pair