Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' and Ligand = 'BDBM50204639'   

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))	BDBM50204639 (CHEMBL3894726) Show SMILES COc1ccc(\C=N\Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)cc1 Show InChI InChI=1S/C21H22ClN5O3S/c1-14(2)31(28,29)19-7-5-4-6-18(19)25-20-17(22)13-23-21(26-20)27-24-12-15-8-10-16(30-3)11-9-15/h4-14H,1-3H3,(H2,23,25,26,27)/b24-12+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	587	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of EGFR (unknown origin) using peptide as substrate after 60 mins by HTRF assay				Eur J Med Chem 123: 80-89 (2016) Article DOI: 10.1016/j.ejmech.2016.06.056 BindingDB Entry DOI: 10.7270/Q2MK6FVX
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