Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Receptor tyrosine-protein kinase erbB-2' and Ligand = 'BDBM50230570'   

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))	BDBM50230570 (CHEMBL4080720) Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCOP(N)(=O)N(CCCl)CCCl Show InChI InChI=1S/C22H26Cl3FN5O4P/c1-33-20-13-19-16(22(29-14-28-19)30-15-3-4-18(26)17(25)11-15)12-21(20)34-9-2-10-35-36(27,32)31(7-5-23)8-6-24/h3-4,11-14H,2,5-10H2,1H3,(H2,27,32)(H,28,29,30)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged HER2 cytoplasmic domain (676 to 1255 residues) expressed in baculovirus expression system using Poly (Glu,...				Eur J Med Chem 127: 442-458 (2017) Article DOI: 10.1016/j.ejmech.2016.12.055 BindingDB Entry DOI: 10.7270/Q2S46V7W
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