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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 = 'BDBM50505845'   
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


(Mus musculus)		BDBM50505845
PNG
(CHEMBL4566193)
Show SMILES Cn1ncc-2c1OCCCCCN1\C(Nc3ccccc13)=N\C(=O)c1cc(F)nc-2c1 |t:23|
Show InChI InChI=1S/C22H21FN6O2/c1-28-21-15(13-24-28)17-11-14(12-19(23)25-17)20(30)27-22-26-16-7-3-4-8-18(16)29(22)9-5-2-6-10-31-21/h3-4,7-8,11-13H,2,5-6,9-10H2,1H3,(H,26,27,30)
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Boehringer Ingelheim RCV GmbH & Co KG

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR in mouse BAF3 cells assessed as reduction in cell proliferation incubated for 72 hrs by Celltiter-Glo luminescent cell v...

J Med Chem 62: 10272-10293 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01169
BindingDB Entry DOI: 10.7270/Q2XD14ZQ
More data for this
Ligand-Target Pair