Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' and Ligand = 'BDBM50238172'   

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))	BDBM50238172 (CHEMBL4079393) Show SMILES CCC(=O)NCCSc1nc(c([nH]1)-c1ccnc(Nc2cccc(NC(=O)C=C)c2)c1)-c1ccccc1 Show InChI InChI=1S/C28H28N6O2S/c1-3-24(35)30-15-16-37-28-33-26(19-9-6-5-7-10-19)27(34-28)20-13-14-29-23(17-20)31-21-11-8-12-22(18-21)32-25(36)4-2/h4-14,17-18H,2-3,15-16H2,1H3,(H,29,31)(H,30,35)(H,32,36)(H,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<1	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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