Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Receptor tyrosine-protein kinase erbB-2' and Ligand = 'BDBM50322323'   

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))	BDBM50322323 ((E)-2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 3-(...) Show SMILES COc1ccccc1\C=C\C(=O)OCCn1c(C)ncc1[N+]([O-])=O Show InChI InChI=1S/C16H17N3O5/c1-12-17-11-15(19(21)22)18(12)9-10-24-16(20)8-7-13-5-3-4-6-14(13)23-2/h3-8,11H,9-10H2,1-2H3/b8-7+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 His6x-tagged HER2 autophosphorylation expressed in Sf9 cells after 1 hr by ELISA				Bioorg Med Chem 18: 4991-6 (2010) Article DOI: 10.1016/j.bmc.2010.06.003 BindingDB Entry DOI: 10.7270/Q2SB46QM
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