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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 = 'BDBM50007745'   
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))
BDBM50007745
PNG
(CHEMBL3233785)
Show SMILES Fc1ccc(Nc2ncnc3sc(NC(=O)\C=C\CN4CC5CCC4C(=O)C5)cc23)cc1Cl
Show InChI InChI=1S/C23H21ClFN5O2S/c24-16-9-14(4-5-17(16)25)28-22-15-10-21(33-23(15)27-12-26-22)29-20(32)2-1-7-30-11-13-3-6-18(30)19(31)8-13/h1-2,4-5,9-10,12-13,18H,3,6-8,11H2,(H,29,32)(H,26,27,28)/b2-1+
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PC cid
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Patents

Article
PubMed
n/an/a 0.900n/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