Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Receptor tyrosine-protein kinase erbB-2' and Ligand = 'BDBM50217190'   

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))	BDBM50217190 (5-((4-aminopiperidin-1-yl)methyl)-N-(3-chloro-4-(p...) Show SMILES NC1CCN(Cc2ccn3ncnc(Nc4ccc(OCc5cccnc5)c(Cl)c4)c23)CC1 Show InChI InChI=1S/C24H26ClN7O/c25-21-12-20(3-4-22(21)33-15-17-2-1-8-27-13-17)30-24-23-18(5-11-32(23)29-16-28-24)14-31-9-6-19(26)7-10-31/h1-5,8,11-13,16,19H,6-7,9-10,14-15,26H2,(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	36	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant HER2 expressed in insect Sf9 cells				Bioorg Med Chem Lett 17: 4947-54 (2007) Article DOI: 10.1016/j.bmcl.2007.06.019 BindingDB Entry DOI: 10.7270/Q22R3RC0
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