Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Receptor tyrosine-protein kinase erbB-2' and Ligand = 'BDBM50308942'   

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))	BDBM50308942 (4-(Bis(2-chloroethyl)amino)-N-(3-morpholinopropyl)...) Show SMILES ClCCN(CCCl)c1ccc(cc1)C(=O)NCCCN1CCOCC1 Show InChI InChI=1S/C18H27Cl2N3O2/c19-6-10-23(11-7-20)17-4-2-16(3-5-17)18(24)21-8-1-9-22-12-14-25-15-13-22/h2-5H,1,6-15H2,(H,21,24)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of human recombinant HER2 expressed in Sf9-baculovirus system by ELISA				Bioorg Med Chem 18: 880-6 (2010) Article DOI: 10.1016/j.bmc.2009.11.037 BindingDB Entry DOI: 10.7270/Q2WH2Q3N
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