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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 = 'BDBM50157307'   
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))
BDBM50157307
PNG
(CHEMBL3781462)
Show SMILES COc1ccccc1Nc1cc[nH]c(=O)c1C(=O)Nc1ccc(nc1)N1CCN(C)CC1
Show InChI InChI=1S/C23H26N6O3/c1-28-11-13-29(14-12-28)20-8-7-16(15-25-20)26-23(31)21-18(9-10-24-22(21)30)27-17-5-3-4-6-19(17)32-2/h3-10,15H,11-14H2,1-2H3,(H,26,31)(H2,24,27,30)
PDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
78n/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))
BDBM50157307
PNG
(CHEMBL3781462)
Show SMILES COc1ccccc1Nc1cc[nH]c(=O)c1C(=O)Nc1ccc(nc1)N1CCN(C)CC1
Show InChI InChI=1S/C23H26N6O3/c1-28-11-13-29(14-12-28)20-8-7-16(15-25-20)26-23(31)21-18(9-10-24-22(21)30)27-17-5-3-4-6-19(17)32-2/h3-10,15H,11-14H2,1-2H3,(H,26,31)(H2,24,27,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
>2.50E+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