Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' and Ligand = 'BDBM50238179'   

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))	BDBM50238179 (CHEMBL4076854) Show SMILES COc1ccc(NC(=O)C=C)cc1Nc1cc(ccn1)-c1cnc(SC)[nH]1 Show InChI InChI=1S/C19H19N5O2S/c1-4-18(25)22-13-5-6-16(26-2)14(10-13)23-17-9-12(7-8-20-17)15-11-21-19(24-15)27-3/h4-11H,1H2,2-3H3,(H,20,23)(H,21,24)(H,22,25)	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
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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