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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 = 'BDBM50007780'   
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))
BDBM50007780
PNG
(CHEMBL3233789)
Show SMILES CN1CCN(C\C=C\C(=O)Nc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3s2)CC1
Show InChI InChI=1S/C21H22ClFN6OS/c1-28-7-9-29(10-8-28)6-2-3-18(30)27-19-12-15-20(24-13-25-21(15)31-19)26-14-4-5-17(23)16(22)11-14/h2-5,11-13H,6-10H2,1H3,(H,27,30)(H,24,25,26)/b3-2+
PDB
MMDB

KEGG

UniProtKB/SwissProt

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DrugBank
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PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 124n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR domain (unknown origin) expressed in baculovirus expression system using Poly(Glu:Tyr)4:1 substrate after 60 mins by ELI...


Bioorg Med Chem 22: 2366-78 (2014)


Article DOI: 10.1016/j.bmc.2014.01.035
BindingDB Entry DOI: 10.7270/Q2QC051F
More data for this
Ligand-Target Pair