Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' and Ligand = 'BDBM50030381'   

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))	BDBM50030381 (CHEMBL3344219) Show SMILES CCCCCCC(=O)ON[C@H](CS(C)(=O)=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 |r| Show InChI InChI=1S/C35H36ClFN4O6S/c1-3-4-5-6-10-34(42)47-41-30(21-48(2,43)44)33-16-15-31(46-33)24-11-13-29-27(18-24)35(39-22-38-29)40-26-12-14-32(28(36)19-26)45-20-23-8-7-9-25(37)17-23/h7-9,11-19,22,30,41H,3-6,10,20-21H2,1-2H3,(H,38,39,40)/t30-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Southeast University Curated by ChEMBL					Assay Description Inhibition of HER1 (unknown origin) assessed as reduction in autophosphorylation by ELISA method				Eur J Med Chem 87: 631-42 (2014) Article DOI: 10.1016/j.ejmech.2014.10.006 BindingDB Entry DOI: 10.7270/Q25B043M
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