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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 = 'BDBM50234180'   
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))
BDBM50234180
PNG
(CHEMBL4103194)
Show SMILES COc1cc(ccc1Nc1ncc2c(C)cc(=O)n(-c3cc(NC(=O)C=C)cc(c3)C(F)(F)F)c2n1)N1CCN(C)C(C)C1
Show InChI InChI=1S/C31H32F3N7O3/c1-6-27(42)36-21-12-20(31(32,33)34)13-23(14-21)41-28(43)11-18(2)24-16-35-30(38-29(24)41)37-25-8-7-22(15-26(25)44-5)40-10-9-39(4)19(3)17-40/h6-8,11-16,19H,1,9-10,17H2,2-5H3,(H,36,42)(H,35,37,38)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 66n/an/an/an/an/an/a



Guangzhou Institutes of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6His/TEV protease cleavage site-tagged wild type human EGFR using poly (Glu,Tyr) 4:1 as substrate after 1 hr by ELISA


Eur J Med Chem 126: 1107-1117 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.006
BindingDB Entry DOI: 10.7270/Q2F47RD5
More data for this
Ligand-Target Pair