Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Amyloid-beta precursor protein' and Ligand = 'BDBM50410866'   

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))	BDBM50410866 (CHEMBL205714) Show SMILES CCCCNC(=O)[C@@H](CCC)[C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Oc3ccccc3)c2)C1=O Show InChI InChI=1S/C34H49N3O4/c1-5-7-20-35-32(38)29(14-6-2)30(22-25(3)4)33(39)36-31-19-11-12-21-37(34(31)40)24-26-15-13-18-28(23-26)41-27-16-9-8-10-17-27/h8-10,13,15-18,23,25,29-31H,5-7,11-12,14,19-22,24H2,1-4H3,(H,35,38)(H,36,39)/t29-,30+,31-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	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 beta-amyloid peptide production in CHO N9 cell line				Bioorg Med Chem Lett 16: 2357-63 (2006) Article DOI: 10.1016/j.bmcl.2006.01.055 BindingDB Entry DOI: 10.7270/Q2WD405K
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