Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' and Ligand = 'BDBM50360464'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50360464 (CHEMBL1934630) Show SMILES CC(C)NCc1ccc(OCC#Cc2c(C)ncnc2Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)cc1 Show InChI InChI=1S/C31H30ClFN4O2/c1-21(2)34-18-23-9-12-27(13-10-23)38-15-5-8-28-22(3)35-20-36-31(28)37-26-11-14-30(29(32)17-26)39-19-24-6-4-7-25(33)16-24/h4,6-7,9-14,16-17,20-21,34H,15,18-19H2,1-3H3,(H,35,36,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	86	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi& Co., Ltd Curated by ChEMBL					Assay Description Inhibition of EGFR phosphorylation in EGF-stimulated human A431 after 2 hrs by Western blot analysis				Bioorg Med Chem Lett 22: 456-60 (2011) Article DOI: 10.1016/j.bmcl.2011.10.103 BindingDB Entry DOI: 10.7270/Q2NV9JP4
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