Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' and Ligand = 'BDBM50161899'   

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))	BDBM50161899 (4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(5...) Show SMILES COc1cc2ncc(C#N)c(Nc3ccc(Sc4ncc(s4)-c4ccccc4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C Show InChI InChI=1S/C32H27ClN6O2S2/c1-39(2)13-7-10-30(40)38-26-15-23-25(16-27(26)41-3)35-18-21(17-34)31(23)37-22-11-12-28(24(33)14-22)42-32-36-19-29(43-32)20-8-5-4-6-9-20/h4-12,14-16,18-19H,13H2,1-3H3,(H,35,37)(H,38,40)/b10-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human epidermal growth factor receptor (EGFR) autophosphorylation				J Med Chem 48: 1107-31 (2005) Article DOI: 10.1021/jm040159c BindingDB Entry DOI: 10.7270/Q2BP03KG
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