Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' and Ligand = 'BDBM50030377'   

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))	BDBM50030377 (CHEMBL3344218) Show SMILES CCCCC(=O)ON[C@H](CS(C)(=O)=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 |r| Show InChI InChI=1S/C33H32ClFN4O6S/c1-3-4-8-32(40)45-39-28(19-46(2,41)42)31-14-13-29(44-31)22-9-11-27-25(16-22)33(37-20-36-27)38-24-10-12-30(26(34)17-24)43-18-21-6-5-7-23(35)15-21/h5-7,9-17,20,28,39H,3-4,8,18-19H2,1-2H3,(H,36,37,38)/t28-/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	93	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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