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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' and Ligand = 'BDBM50237554'   
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))
BDBM50237554
PNG
(CHEMBL4098587)
Show SMILES CC(C)(C)OC(=O)NCC(=O)Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1
Show InChI InChI=1S/C21H21ClFN5O3/c1-21(2,3)31-20(30)24-10-18(29)27-12-5-7-17-14(8-12)19(26-11-25-17)28-13-4-6-16(23)15(22)9-13/h4-9,11H,10H2,1-3H3,(H,24,30)(H,27,29)(H,25,26,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 17n/an/an/an/an/an/a



Xuzhou Medical University

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) measured after 40 mins by Kinase Glo luminescence assay


Eur J Med Chem 130: 393-405 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.061
BindingDB Entry DOI: 10.7270/Q21Z46PJ
More data for this
Ligand-Target Pair