Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' and Ligand = 'BDBM50210701'   

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))	BDBM50210701 (CHEMBL3957025) Show SMILES COc1cc2c(Nc3ccc(NC(=O)Nc4ccc(Cl)cc4)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C29H30Cl2N6O4/c1-39-26-16-22-25(17-27(26)41-12-2-9-37-10-13-40-14-11-37)32-18-33-28(22)34-21-7-8-24(23(31)15-21)36-29(38)35-20-5-3-19(30)4-6-20/h3-8,15-18H,2,9-14H2,1H3,(H,32,33,34)(H2,35,36,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human EGFR cytoplasmic domain (669 to 1210 residues) expressed in baculovirus expression system preincubated for ...				Eur J Med Chem 125: 245-254 (2017) Article DOI: 10.1016/j.ejmech.2016.09.039 BindingDB Entry DOI: 10.7270/Q2QJ7K9C
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