Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' and Ligand = 'BDBM50238166'   

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))	BDBM50238166 (CHEMBL4092003) Show SMILES CC(=O)CCCSc1nc(c([nH]1)-c1ccnc(Nc2ccccc2)c1)-c1ccc(F)cc1 Show InChI InChI=1S/C25H23FN4OS/c1-17(31)6-5-15-32-25-29-23(18-9-11-20(26)12-10-18)24(30-25)19-13-14-27-22(16-19)28-21-7-3-2-4-8-21/h2-4,7-14,16H,5-6,15H2,1H3,(H,27,28)(H,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	185	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University T£bingen Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-fused EGFR cytoplasmic domain (669 to 1210 residues) expressed in baculovirus using TK-substrate-biotin preincubat...				J Med Chem 60: 5613-5637 (2017) Article DOI: 10.1021/acs.jmedchem.7b00316 BindingDB Entry DOI: 10.7270/Q2V98BCK
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