Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Receptor tyrosine-protein kinase erbB-2' and Ligand = 'BDBM50360466'   

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))	BDBM50360466 (CHEMBL1934632) Show SMILES CC(C)NCc1ccc(\C=C\c2c(C)ncnc2Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)cc1 Show InChI InChI=1S/C30H30ClFN4O/c1-20(2)33-17-23-9-7-22(8-10-23)11-13-27-21(3)34-19-35-30(27)36-26-12-14-29(28(31)16-26)37-18-24-5-4-6-25(32)15-24/h4-16,19-20,33H,17-18H2,1-3H3,(H,34,35,36)/b13-11+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi& Co., Ltd Curated by ChEMBL					Assay Description Inhibition of Her-2 by time-resolved fluorescence assay				Bioorg Med Chem Lett 22: 456-60 (2011) Article DOI: 10.1016/j.bmcl.2011.10.103 BindingDB Entry DOI: 10.7270/Q2NV9JP4
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