Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Amyloid-beta precursor protein' and Ligand = 'BDBM50485235'   

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
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50485235 (CHEMBL2042245) Show SMILES CNc1ccc(\C=C\c2ccc(OCCOCCOCCOCCOCCOCCOCC(COCCOCCOCCOCCOCCOCCOc3ccc(\C=C\c4ccc(NC)cc4)cn3)OCCF)nc2)cc1 Show InChI InChI=1S/C57H83FN4O15/c1-59-53-13-7-49(8-14-53)3-5-51-11-17-56(61-45-51)76-43-41-71-35-33-67-27-25-63-21-23-65-29-31-69-37-39-73-47-55(75-20-19-58)48-74-40-38-70-32-30-66-24-22-64-26-28-68-34-36-72-42-44-77-57-18-12-52(46-62-57)6-4-50-9-15-54(60-2)16-10-50/h3-18,45-46,55,59-60H,19-44,47-48H2,1-2H3/b5-3+,6-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Displacement of [18F]-amyvid from amyloid-beta aggregates in alzheimer's disease patient brain homogenates after 1 hr				J Med Chem 54: 8085-98 (2011) Article DOI: 10.1021/jm2009106 BindingDB Entry DOI: 10.7270/Q26976FJ
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