Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Amyloid-beta precursor protein' and Ligand = 'BDBM50490495'   

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))	BDBM50490495 (CHEMBL2326893) Show SMILES CCN(CC)CCCC(C)Nc1c2ccc(I)cc2nc2ccc(OC)cc12 Show InChI InChI=1S/C23H30IN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	353	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nagasaki University Curated by ChEMBL					Assay Description Displacement of [125I]IMPY from amyloid beta (1 to 42) (unknown origin) after 3 hrs by gamma counting				Eur J Med Chem 60: 469-78 (2013) Article DOI: 10.1016/j.ejmech.2012.12.020 BindingDB Entry DOI: 10.7270/Q2GF0XD0
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50490495 (CHEMBL2326893) Show SMILES CCN(CC)CCCC(C)Nc1c2ccc(I)cc2nc2ccc(OC)cc12 Show InChI InChI=1S/C23H30IN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a
Nagasaki University Curated by ChEMBL					Assay Description Binding affinity to amyloid beta aggregate (unknown origin) by centrifugation method				Eur J Med Chem 60: 469-78 (2013) Article DOI: 10.1016/j.ejmech.2012.12.020 BindingDB Entry DOI: 10.7270/Q2GF0XD0
					More data for this Ligand-Target Pair