Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Receptor tyrosine-protein kinase erbB-2' and Ligand = 'BDBM50030388'   

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
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50030388 (CHEMBL3344212) Show SMILES CS(=O)(=O)CC(NC1CCCCC1)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C34H34ClFN4O4S/c1-45(41,42)20-30(39-25-8-3-2-4-9-25)33-15-14-31(44-33)23-10-12-29-27(17-23)34(38-21-37-29)40-26-11-13-32(28(35)18-26)43-19-22-6-5-7-24(36)16-22/h5-7,10-18,21,25,30,39H,2-4,8-9,19-20H2,1H3,(H,37,38,40)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
Southeast University Curated by ChEMBL					Assay Description Inhibition of HER2 (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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